中文--Call For Papers-ISMSCS-第一届复杂管理系统建模与仿真国际研讨会-
开放复杂巨系统剖析
宏观经济决策综合集成研讨系统
查看信息 准备 投票 查看投票结果
发言
知识推理 数据分析 调用模型 调用方法 模型测算 现场建模 确定问题 初始结构 反复研讨
结束
获得问题 结构
结果公布
图2:简略的研讨流程图
2018/10/11
17
宏观经济决策综合集成研讨系统
主持人研讨控制 自动控制程序
研讨终端 1 10 客户端 3
1992年钱学森提出综合集成研讨厅的构思： 把专家们的知识库、信息系统、各AI系统、 几十亿次/秒的计算机，像作战指挥演示厅 那样组织起来，成为巨型人-机结合的智能 系统。 综合集成研讨厅=
（专家+信息系统+AI系统 +计算机）×组织
提出了什么方法和理论
综合集成研讨厅= （专家+信息系统+AI系统 +计算机）×组织
10/11/2018 20学家普朗克说：科学是 内在的整体，它被分解为单独的 整体并不是取决于事物本身，而 是取决于人类认识能力的局限性。
20
宏观经济决策综合集成研讨系统
2003年宏观经济形势与政策实例应用
【题目】2003年宏观经济形势与政策分析 【研讨人】1名主持人与12名专家 【研讨内容】 （1）2003年我国的基本经济环境； （2）2003年经济发展的预测和评价； （3）2003年应采取的宏观经济政策。 【研讨程序】 （1）专家自由发言； 专家主要讨论了当时的热点问题——非典对经济的可能影响，最后得到 的结论是非典对中国经济的影响有限，中国经济目前正处在一个比较 理想的时期。 （2）经济形势与经济问题的深入分析； 专家根据2002年度和2003年1季度的经济形势，依次讨论了投资、物价、 能源供应、工业生产、房地产、货币供应量、财政政策、农业等与经 济形势和发展前景直接相关的各个重要领域，并激发了大量的争论和 辩论，该阶段使用了“景气分析”“金融危机案例推理工具等模型”。
First-Principles-Based Thermodynamic Description of Solid Copper Using the Tight-Binding Ap
a r X i v :c o n d -m a t /0201141v 1 [c o n d -m a t .m t r l -s c i ] 9 J a n 2002First-Principles-Based Thermodynamic Description of SolidCopper Using the Tight-Binding ApproachSven P.Rudin,1M.D.Jones,2C.W.Greeff,1and R.C.Albers 11Los Alamos National Laboratory,Los Alamos,NM 875452Department of Physics and Center for Computational Research,University at Buffalo,The State University of New York,Buffalo,NY 14260(February 1,2008)Abstract A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes.With the resulting model the first-principles-based phonon dispersion and the free energy are calculated in the quasi-harmonic approximation.The resulting thermal expansion,the temperature-and volume-dependence of the elastic constants,the Debye temperature,and the Gr¨u neisen parameter are compared with available experimental data.PACS numbers:63.20.Dj,64.30.+t,65.40.De,65.40.GrTypeset using REVT E XI.INTRODUCTIONDensity-functional theory(DFT)first-principles electronic-structure methods describe anomaly-free solids such as elemental copper successfully.They achieve high accuracy for quantities such as bulk properties,1surface relaxation and lattice dynamics of the surface,2 as well as the epitaxial Bain path and elastic constants.3DFT methods are routinely used to compute the zero-temperature internal energy,Φ0(V),but also can be used to calculate the free energy contributions from the ions,F I(V,T),and the electrons,F E(V,T),resulting in a complete equation of state,F(V,T)=Φ0(V)+F I(V,T)+F E(V,T).(1)However,the required computational effort is expensive,and an alternative efficient evalu-ation at all volumes and temperatures would be desirable.In this paper we use the computationally less demanding tight-binding(TB)total energy model in conjunction with well chosenfirst-principles calculations.In particular,we use the functionalfitting forms developed at the U.S.Naval Research Laboratory(NRL)for com-puting the total energy within the TB formalism,i.e.,without an external potential.4The model isfit to and accurately reproduces a set offirst-principles calculations with a speed-up of many orders of magnitude.In addition,transferability(i.e.,a TB parameterization that is accurate for a wide variety of crystal structures and atomic arrangements)has been successfully demonstrated for semiconductors as well as for simple and transition metals.4 We believe that the TB method can be used as a highly accurate,but computationally more efficient,surrogate for a fullfirst-principles-based approach to calculate the equation of state for solids.Copper is frequently used as a test material for theoretical methods.5In this paper we have(1)developed an improvedfit for copper that is accurate for phonons,and(2)used this model to calculate a wide range of temperature-and volume-dependent thermodynamic quantities.Copper is furthermore widely employed as a pressure standard in high-pressure research.7 This use is based on correcting P(V)data taken along the shock Hugoniot8to room tem-perature.Such corrections employ model assumptions about the volume dependence of the Gr¨u neisen parameterγ(V),which is difficult to measure independently.Shock heating increases with pressure,making the corrections more significant at high pressure.It is there-fore important to develop theoretical techniques for accurate prediction ofγfor copper at high pressure.Phonons play a major role in the calculations of thermodynamic quantities,and the TBfits are adjusted to more accurately calculate them.Structures corresponding to high-symmetry phonon modes are shown here to aid in refining the model;the resulting phonon density of states can then be used to determine the free energy and hence all thermodynamic quantities of interest.The precision required to calculate phonon frequencies is an order of magnitude higher than that for the lattice constant or bulk modulus,9making this a stringent test for the validity of the tight-binding approach in general and the copper model in particular.The ion–ion free energy of Eq.1is often separated into harmonic and anharmonic parts,F I(V,T)=F H(V,T)+F A(V,T).(2)Normally,the harmonic component is not a function of volume,but is calculated from the effect of small displacements about the zero-temperature equilibrium lattice.In our calcula-tions,we use the quasi-harmonic approximation,which considers small displacements at any fixed volume(lattice constant)within the harmonic approximation,and hence our phonon frequencies become volume dependent.However,our phonon frequencies are calculated at zero temperature for any given volume,and are not temperature dependent.The anharmonic part of the free energy involves terms that arise from the potential energy of the lattice when it is expanded beyond the harmonic part to higher than second order. Such terms are needed at high temperatures,when the phonon amplitudes are large,and ultimately lead to melting.They are also needed to explain thermal expansion effects whenthe harmonic part is based on the equilibrium volume.The quasi-harmonic approximation can handle thermal expansion and the Gr¨u neisen parameter accurately through the volume dependence of the phonons at low temperature.At sufficiently high temperatures,the quasi-harmonic approximation breaks down when the phonon amplitudes become large,and additional anharmonic phonon-phonon corrections are necessary(as indicated in Eq.2).We have not included these anharmonic types of effects in our calculations.Hence we always set F A(V,T)=0,and our calculations will become less reliable at very high temperatures (near melting).In the following section we introduce the basic ideas of the tight-binding method and the first-principles method used to generate thefitting database,and then describe our TBfitting procedures.In the subsequent section we present calculated results for the thermodynamic properties and compare them with experiment.II.FITTING THE MODELA.Tight-binding electronic structureThe tight-binding approach is essentially a parameterized version of thefirst-principles calculations and hence is orders of magnitude more computationally efficient.In DFT meth-ods the secular equation,Hψi,v=ǫi,v Sψi,v,(3)is constructed directly from approximate solutions to the full many-body Hamiltonian,and involves a self-consistent potential that is solved iteratively;whereas in the TB approach the elements of the Hamiltonian(and the overlap matrix)themselves have been parameter-ized.Only two-center terms are considered.10For the non-orthogonal tight-binding model described here this requires73fitted parameters.Of those parameters,thirty each are used to describe the inter-site matrix elements of the Hamiltonian and of the overlap matrix.For each combination of symmetries(ll′m)theform11ish ll′m(r)=(a ll′m+b ll′m r)e−c2ll′m r f c(r),(4)s ll′m(r)= ¯a ll′m+¯b ll′m r e−¯c2ll′m r f c(r),(5) where f c=1/(1+e2(r−r0))is a multiplicative factor included to ensure a smooth cutoffwithincreasing distance.In our calculations we have set r0=16.0Bohr radii.The remaining13parameters determine the on-site terms,which allows the parameter-ization to be applied to structures not included in thefitting database.A measure of thevalence electron density,ρ= i=j e−λ2r ij f c(r ij),(6) where r ij is the interatomic distance,serves to describe the on-site energy,eα=e0α+e1αρ2/3+e2αρ4/3+e3αρ2,(7)for the three orbital typesα,i.e.,s,p,and d.These terms are somewhat similar to an embedded-atom-like form in that the energy changes depending on the nearby arrangements of atoms,and may approximately account for self-consistency effects as the atoms move around.B.Full potential LAPW methodThefirst-principles quality of the tight-binding model results fromfitting to full potential linear augmented plane wave(LAPW)calculations using the reliable WIEN97program suite.12The parameters for thefirst-principles calculations are listed in Table I.The LAPW method divides space into spherical regions centered on the atoms and the remaining interstitial region.The radius of the spheres,the muffin-tin radius R m,must be chosen such that the spheres do not overlap.The basis functions used to represent the wave function are adapted to the regions:radial solutions to the Schr¨o dinger equation in thespheres,plane waves in the interstitial region.The wave functions then are found iteratively within density-functional theory,constrained to match at the boundaries of the different regions.C.Initial Fitting ProcedureWefirstfit the TB method to predict energy differences between the ground-state and non-equilibrium structures.Thefitting database includedfirst-principles energies calculated for the cubic structures.In addition to the total energies of these structures,it proved to be crucial tofit the energy bands at high-symmetry points in reciprocal space.15,16By decom-posing the electronic wave function in terms of the symmetry character of the eigenvalues17 the bands are guided to the correct ordering.The total energies and the band energies can be calculated by starting with a very crude initial tight-binding model that ignores intersite terms;15the errors are then minimized utilizing standard nonlinear least squares algorithms.18Figure1shows the T=0phonon dispersion for fcc copper calculated with the initial model.15The long-wavelength modes nearΓare well described,the short-wavelength modes near the zone boundary display somewhat high frequencies,in particular the longitudinal modes.The reasonable agreement for phonons near the zone centerΓcan be understood by considering the elements of thefitting database.The bulk modulus,i.e.,a linear combination of the elastic constants,is implicitly included in thefit.While this does not guarantee accurate elastic constants,i.e.,good agreement for the slopes of the dispersion nearΓ,it does set the right scale.Furthermore,thefit includes the bcc structure,which is related to the fcc crystal by a tetragonal strain corresponding to the long-wave-vector limit of the longitudinal mode in the[00ξ]direction.The database lacks any information related to the short-wave-vector modes.D.Fitting procedure with distorted structuresIn order to construct a model with an improved phonon dispersion the database was expanded to include additional information on the phonons,in particular,structures that are snapshots of the crystal deformed by particular phonon modes,i.e.,frozen phonons. The undistorted and distorted crystal structures are treated on the same footing in the first-principles calculations and thefitting procedure,implicitly including the differences in energy and hence the frequencies of the phonon modes.The longitudinal and the transverse mode at the high-symmetry point X(q=(0,0,1)) were chosen because of the large discrepancy in frequency(see Fig.1)and because the distorted structures require only a doubling of the unit cell.These distorted structures are considered as additional,distinct structures in the database,to befit to over a range of volumes.The initialfit for copper already contains some of the character of distortions related to the elastic constants:the bulk modulus is explicitly included in the energy as a function of volume,and the tetragonal distortion of the fcc crystal is somewhat reflected byfitting to the bcc structure.For completeness,tetragonally-and trigonally-distorted fcc crystals were added to thefit as distinct structures.These additional structures barely influence the model resulting from thefit;however,thefitting process converges much more quickly when they are included.The cubic structures that were included in the initialfit differ from each other by an energy scale of fractions of electron volts.Phonons require a model tuned to discern energies on a scale that is approximately an order of magnitude smaller.This could be a problem since the minimization procedure tends to ignore small energy differences.For frozen phonons at the zone boundary,where neighboring atoms move against each other,it turns out that amplitudes which are still within the harmonic regime can produce energies that differ from the undistorted structure by fractions of electron volts.The distortions corresponding to elastic constants,however,need to be exaggerated for them to give large enough energydifferences.The trigonal distortion used here compresses the base angle from90◦to75◦, while the tetragonal distortion changes the c/a ratio from unity to1.9.Figure2shows the energy values in thefitting database alongside those of the initial and improved tight-binding models.The volumes of thefirst-principles calculations are limited to structures where the muffin-tin radius R m is smaller than the nearest-neighbor distance, particularly for the strongly-distorted fcc structures the choice of R m=2.0a.u.prohibits strong compression.No such limitations exist for the tight-binding approach;the volumes for which the model is appropriate will become clear in the next section.Figure3shows the errors in the improved model’sfipared to the initialfit,errors for the simple,cubic structures remain about the same.The errors for the tetragonally-distorted structures are small around the equilibrium volume(11.93˚A3),but show a ten-dency to increase as the crystal is compressed.The form of the matrix elements(Eq.4) cannot be expected to allow a high-qualityfit at all volumes;indeed when only a subset of data points are included in thefit the errors show no radical change.Including the distorted structures in thefit improves the transferability of the model. Figure4shows the improved agreement between tight-binding andfirst-principles energies for the diamond structure,which is not included in thefit.The transferability to a structure of such a different coordination is not guaranteed,and our initial model did not reproduce the diamond energies well,nor did the model of the NRL group.5Figure5shows the phonon dispersion calculated with the improved model.Including the distorted fcc structures clearly refines the agreement with the measured values,though the curves do not overlap perfectly:the dispersion of the low-lying transverse modes in the[0ξ1] direction shows a different character,and the high-frequency longitudinal modes remain somewhat large.The discrepancy of the longitudinal frequency at L suggests including this data point in thefit.However,afirst-principles,frozen-phonon calculation of this mode shows better agreement with the tight-binding model than with experiment and was therefore not added to the database.Figure6shows the phonon density of states calculated with the improved model.Thegeneral shape agrees with the data calculated from the Born-von K´a rm´a n force constants fitted to the experimental phonon dispersion along high-symmetry directions.19,20The differ-ence in maximum frequencies and the peak near7THz can be attributed to the discrepancy in the dispersion of the longitudinal mode near L in the[ξξξ]direction.The tight-binding density of states displays more structure around4THz,which may be due to modes in low-symmetry directions that are not part of the experimental force-constant model.The distorted structures added to thefit indeed make for a model that is better suited for phonon calculations.However,while the additional constraints improve the total energies described by the model,the electronic band structure deteriorates.Figure7shows the electronic band structure along two sample high-symmetry directions of fcc copper at the experimental volume.While the initial model agrees well with thefirst-principles band structure,the model improved for thermodynamic quantities loses the good agreement. The resulting electronic density of states,shown in Fig.8,shows the same discrepancy; however,the density of states at the Fermi energy is quite similar,which is important for the temperature-dependent influence of the electrons(see below).It is possible that a better or moreflexible functional form for the distance dependence of the intersite Hamiltonian and overlap matrices are necessary to keep the good transferability and the good agreement with the individual energy bands.III.CALCULATIONS WITH THE TB MODELA.Force ConstantsThe force constants are calculated from the tight-binding model by the direct-force method,21–24which relies on evaluating the forces on all atoms in a simulation cell in which a reference atom(0,i)has been displaced.The large simulation cell consists of primitive cells transposed by vectorsℓ.Due to periodic boundary conditions on the simulation cell, the force on an atom(ℓ,j)is in response to the displaced reference atom(0,i)as well as itsimages transposed by vectors L,F(ℓ,j)=− LφC(ℓ,j;0,i)= Lφ∂uα(0,i)≈−Fβ(ℓ,j)(q),which in turn is the Fourier transform of the system’s force constants,Dαβ(q)=1that break the inversion symmetry with respect to the reference atom have to be duplicated (with adjusted weight)and transposed with a basis vector of the simulation cell to reinstate the symmetry.The cubic symmetry of the fcc crystal allows the calculation of the force constants at a particular volume with a single displacement of the basis atom.Distorted fcc structures no longer have the cubic symmetry,the calculation of the force constants therefore requires the forces to be evaluated for the basis atom displaced in all three Cartesian directions separately. For all calculations the simulation cell contained108atoms and a mesh of4×4×4k-points was used.B.ThermodynamicsAs indicated by Eq.1,the free energy is the internal energy from the tight-binding calculation with entropic terms added from the electrons and the ions.In both terms the relevant physical quantity is the density of states(DOS).The electronic DOS,n(E),the occupation of which is given by the Fermi distribution f(E,T)=[e(E−E f)/(k B T)+1]−1, determines the electrons’contribution to the entropy,S el(T)=−k B [f ln f+(1−f)ln(1−f)]n(E)dE.(12) The phonon DOS,g(ω),contributes through the zero-point energy,1U zero=the phonons,although at low temperatures(where both contributions are very small)and small volumes the percentage rises to about10%.Figure9shows the resulting free-energy as a function of volume for temperatures between 0K to1400K(at ambient pressure copper melts at1356K;melting is an anharmonic effect that lies outside the scope of the quasi-harmonic treatment)in100K increments.A comparison with the free energy for the bcc phase shows the fcc structure at lower free energy for all temperatures and volumes,indicating that the model agrees with experiment in that respect.The free energy as a function of volume and temperature determines the thermal ex-pansion.The temperature-dependent lattice constant derived from the tight-binding model is shown in the inset of Fig.9along with the experimental values.As is typical for GGA-calculations,the tight-binding model overestimates the equilibrium volume by1.4%.The calculated linear expansion coefficient is compared to experimental data in Fig.10and shows good agreement,in particular the characteristic temperature,which is determined by the phonon characteristic temperatures(see below).The shape of the free energy as a function of volume and temperature directly provides the temperature-dependence of the bulk modulus,B(T),which is calculated byfitting a second order Birch equation of state.26The bulk modulus is related to two of the elastic constants by B(T)=1accounted for byfinding the equilibrium volume for each temperature and then calculating the effect of the strain on the free energy of that volume.Figure12shows the calculated T=0elastic constants as a function of volume.The phonon characteristic temperatures,which are defined as moments of the phonon density of states,28ln(k Bθ0)= ln(¯hω) BZ,(15)k Bθ1=43(¯hω)2 BZ 1/2,(17) are shown in Fig.13.The approximate rule of thumbθ2≈θ1≈e1/3θ0holds nicely for the calculated values(inset).At temperatures below the phonon characteristic temperatures individual phonon modes must be considered separately,because they contribute to the crystal’s thermal properties with weights depending on their frequency relative to the temperature.The weight of a mode of branch s with wave vector q is determined by the heat capacity for that mode,c s(q)=∂eβ¯hωs(q)−1.(18)The sum of these individual heat capacities as a function of temperature agrees well with calorimetric data;the comparison is plotted in Fig.14in terms of the Debye temperature θD,which is found such that the Debye model’s heat capacityc V=9k B T(e x−1)2dx(19) is the same as the heat capacity calculated for the tight-binding model at the same temper-ature.The shape of the Debye temperature plotted against temperature remains very similar with compression;the curve itself is shifted upwards with the same volume-dependence as the characteristic phonon temperatures.The heat capacity of each individual phonon mode,combined with the Gr¨u neisen Pa-rameter of that mode,d lnωs(q)γq,s=−q,s c v,s(q).(21) At high temperatures(T>θ2),where all phonon modes contribute equally,γ≈γ0= d lnθ0/d lnρ.At low temperatures only the acoustic phonon modes contribute.Figure15compares the tight-binding results for the Gr¨u neisen parameter with available data.For densities up to near13g/cm3the results roughly agree with the rule of thumb thatγ·ρ=constant.Our values are slightly below the experimental values,indicating that the phonon frequencies do not increase with compression as rapidly as they should.Figure15also shows the calculated temperature-dependence of the Gr¨u neisen parameter. At low temperatures(T<40K)the plot shows a fair amount of structure relative to the high-∼temperature curve.This can be understood from the phonon dispersion shown in Fig.5, where the lowest branch is in the[ξξξ]direction and becomesflat around3THz,frequencies that become relevant in their contribution to the specific heat at temperatures around a third of their energy,i.e.,around50K.This branch is the lowest and hence appearsfirst with increasing temperature,furthermore it appears with a lot of weight as there are eight spatial directions corresponding to these modes.At low temperatures the phonon contribution to the heat capacity is proportional to T3 and vanishes more rapidly than the electronic contribution,which is linear in temperature. Figure16shows the calculated coefficient of the electronic contribution to the heat capacity,π2γel=which is proportional to the density of states at the Fermi energy,n(E F).Compression of the crystal reduces n(E F),i.e.,γel decreases monotonically.IV.SUMMARYThe work presented here is aimed at(1)improving the tight-bindingfit of copper specif-ically for the calculation of thermodynamic properties,and(2)investigating the transfer-ability and range of applicability of the improved model.For the model to be reliable in calculating thermodynamic properties,it must produce a phonon dispersion in good agreement with experiment.The initial model wasfit to first-principles calculations of the total energy at a series of different volumes for the cubic crystal structures.The database offirst-principles calculations was extended here to include fcc structures distorted to reflect high-symmetry phonon modes and the elastic constants;fitting to the extended database yields the improved model which indeed delivers phonon frequencies significantly closer to the experimental values.From the phonon density of states the free energy was calculated,in the quasi-harmonic approximation,as a function of volume and temperature.The temperature-dependence of the minimum of the free energy directly yields the thermal expansion and the linear expansion coefficient,both in good agreement with experiment.The elastic constants are somewhat improved over the initial model,though discrepancies with experiment remain evident.The quantities in the previous paragraph depend on volumes only in the vicinity of the T=0equilibrium volume.The volumes used for the cubic and the distorted fcc structures in thefit extend over a wide range;the equilibrium volume is not treated any differently than other values(down to9.7˚A3,the smallest volume for which distorted structures were fit).This gives some confidence that the model applies to a range beyond the equilibrium volume and its immediate vicinity.Within the quasi-harmonic approximation the volume dependence of the phonon fre-quencies gives a non-zero Gr¨u neisen parameter;the results calculated from the TB model roughly agrees with the empiricalγ·ρ=constant.The magnitude is somewhat low,i.e., the compression-induced stiffening of the crystal remains somewhat weaker than is experi-mentally measured.The compression at which the model clearly fails can be seen from the Gr¨u neisen param-eter as well as the volume dependences of the elastic constants,the electronic contribution to the heat capacity,and the characteristic phonon temperatures.All of these entities vary monotonically with compression until the volume reaches approximately8˚A3,i.e.,a density of roughly13g/cm3,at which point unphysical behavior appears.The unphysical behavior points to the limitations of the model.The Hamiltonian and overlap matrix elements are described by a functional form which can at best approximate the actual behavior within a limited range.For an extended range either the functional form must be modified,e.g.by including higher-order terms in Eq.4,as has been done in a more recent NRL TB copper potential used in Ref.5.The need for modification can also be seen in the electronic band structure,which is degraded by thefitting to distorted fcc structures.V.ACKNOWLEDGMENTWe thank Jon Boettger,Matthias Graf,David Schiferl,and Duane Wallace for helpful and encouraging discussions.This research is supported by the Department of Energy un-der contract W-7405-ENG-36.All FLAPW calculations were performed using the Wien97 package.12Some of the calculations were performed at the National Energy Research Scien-tific Computing Center(NERSC),which is supported by the Office of Science of the U.S. Department of Energy under Contract No.DE-AC03-76SF00098REFERENCES1N.Troullier,J.L.Martins,Phys.Rev.B43,1993(1991).2C.Y.Wei,S.P.Lewis,E.J.Mele,and A.M.Rappe,Phys.Rev.B57,10062(1998).3F.Jona and P.M.Marcus,Phys.Rev.B63,094113/1(2001).4R.E.Cohen,M.J.Mehl,and D.A.Papaconstantopoulos,Phys.Rev.B50,14694(1994); M.J.Mehl and D.A.Papaconstantopoulos,Phys.Rev.B54,4519(1996);S.H.Yang, M.J.Mehl,and D.A.Papaconstantopoulos,Phys.Rev.B57,R2013(1998).5Y.Mishin,M.J.Mehl,D.A.Papaconstantopoulos,A.F.Voter,and J.D.Kress,Phys. Rev.B63,224106(2001).6W.J.Nellis,J.A.Moriarty,A.C.Mitchell,M.Ross,R.G.Dandrea,N.W.Ashcroft,N.C.Holmes,and G.R.Gathers,Phys.Rev.Lett.60,1414(1988).7H.K.Mao,P.M.Bell,J.W.Shaner,and D.J.Steinberg,J.Appl.Phys.49,3276(1978). 8R.G.McQueen,S.P.Marsh,J.W.Taylor,J.N.Fritz,and W.J.Carter,in High Velocity Impact Phenomena,R.Kinslow Ed.,(Academic,New York,1970).9S.G.Louie in Electronic Structure,Dynamics,and Quantum Structured Properties of Condensed Matter,edited by D.T.Devreese and P.van Camp(Plenum,New York, 1985),p.335.10J.C.Slater and G.F.Koster,Phys.Rev.94,1498(1954).11The(ll′m)symmetries are(ssσ),(spσ),(sdσ),(ppσ),(pdσ),(ddσ),(ppπ),(pdπ),(ddπ), and(ddδ),asfirst suggested by J.C.Slater and G.F.Koster,Phys.Rev.94,1498(1954). 12P.Blaha,K.Schwarz,and J.Luitz,WIEN97,A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties,(Techn.Universit¨a t Wien,Aus-tria,1999).。
1-现代集成制造系统导论08
3．实现技术 如何建立一个现代集成制造系统？ “现代”包含了当今信息技术的最新成果：数字化、网络化、虚拟化
、智能化、绿色化与集成化。 信息集成：异构环境下的信息集成，包括了协议的共存与转换；异
种数据库的数据共享；应用软件的数据交换等。 过程重组和优化（并行工程）：过程建模及优化（串行过程→并行
1.3.1 系统的复杂性 1．功能的复杂性
系统包含了产品从规划设计到最终交付用户使用的一切活动。如产品 设计开发过程、加工制造过程和经营管理过程（包括销售及服务）等。 不仅有物流，还有大量的人的活动。 2．对象的复杂性
相当一部分过程和活动很难完全用一般的动力学系统模型、离散事件 系统模型及混杂系统模型来描述。 3．随机性
路漫漫其修远兮, 吾将上下而求索
一、计算机集成制造系统和现代集成制造系统
1.4 现代集成制造系统实现技术内涵的发展
1.4.3 企业集成（敏捷制造）
敏捷制造的关键技术有： 1）支持敏捷制造的使能技术，支持协同设计的工具，电
子商务平台。 2）资源优化，包括供应链的建模和管理。 3）网络平台，Internet/Intranet/Extranet。
一、计算机集成制造系统和系统CIMS
1.3.2 复杂问题求解的基本框架
4．数学等理论工具 （3）并行产品开发过程的调度优化问题 产品的开发过程由一系列活动组成，传统的串行过程由于
上游设计过程不考虑下游的制造工艺及装配，往往造成经常性 的返工，使产品开发时间大大增加，成本提高。变串行的活动 为尽可能多的并行活动，资源（设备、人员）需要优化配置， 其中需要考虑信息的约束和活动中可能存在的反馈。因此问题 成为：在考虑信息约束条件下，通过资源的优化配置，极小化 产品设计开发时间。
Global model-checking of infinite-state systems
Global Model-Checking of Infinite-State SystemsNir Piterman and Moshe Y.VardiWeizmann Institute of Science,Department of Computer Science,Rehovot76100,Israel Email:nir.piterman@wisdom.weizmann.ac.il,URL:http://www.wisdom.weizmann.ac.il/nirp Rice University,Department of Computer Science,Houston,TX77251-1892,U.S.A.Email:vardi@,URL:/vardiAbstract.We extend the automata-theoretic framework for reasoning about infinite-state sequential systems to handle also the global model-checking problem.Our frame-work is based on the observation that states of such systems,which carry afinite butunbounded amount of information,can be viewed as nodes in an infinite tree,andtransitions between states can be simulated byfinite-state automata.Checking thatthe system satisfies a temporal property can then be done by a two-way automatonthat navigates through the tree.The framework is known for local model checking.For branching time properties,the framework uses two-way alternating automata.Forlinear time properties,the framework uses two-way path automata.In order to solvethe global model-checking problem we show that for both types of automata,given aregular tree,we can construct a nondeterministic word automaton that accepts all thenodes in the tree from which an accepting run of the automaton can start.1IntroductionAn important research topic over the past decade has been the application of model check-ing to infinite-state systems.A major thrust of research in this area is the application of model checking to infinite-state sequential systems.These are systems in which a state carries afinite,but unbounded,amount of information,e.g.,a pushdown store.The ori-gin of this thrust is the important result by M¨u ller and Schupp that the monadic second-order theory of context-free graphs is decidable[MS85].As the complexity involved in that decidability result is nonelementary,researchers sought decidability results of elemen-tary complexity.This started with Burkart and Steffen,who developed an exponential-time algorithm for model-checking formulas in the alternation-free-calculus with re-spect to context-free graphs[BS92].Researchers then went on to extend this result to the -calculus,on one hand,and to more general graphs on the other hand,such as pushdowngraphs[BS95,Wal96],regular graphs[BQ96],and prefix-recognizable graphs[Cau96]. One of the most powerful results so far is an exponential-time algorithm by Burkart for model checking formulas of the-calculus with respect to prefix-recognizable graphs [Bur97b].See also[BE96,BEM97,Bur97a,FWW97,BS99,BCMS00].3Some of this the-ory has also been reduced to practice.Pushdown model-checkers such as Mops[CW02], Moped[ES01,Sch02],and Bebop[BR00](to name a few)have been developed.Success-ful applications of these model-checkers to the verification of software are reported,for example,in[BR01,CW02].We usually distinguish between local and global model-checking.In thefirst setting we are given a specific state of the system and determine whether it satisfies a given property. In the second setting we compute(afinite representation)of the set of states that satisfy a given property.For many years global model-checking algorithms were the standard;inparticular,CTL model checkers[CES86],and symbolic model-checkers[BCM92]per-form global model-checking.While local model checking holds the promise of reduced computational complexity[SW91]and is more natural for explicit LTL model-checking[CVWY92],global model-checking is especially important where the model-checking is only part of the verification process.For example,in[CKV01,CKKV01]global model-checking is used to supply coverage information,which informs us what parts of the designunder verification are relevant to the specified properties.In[Sha00,LBBO01]an infinite-state system is abstracted into afinite-state system.Global model-checking is performedover thefinite-state system and the result is then used to compute invariants for the infinite-state system.In[PRZ01]results of global model-checking over small instances of a param-eterized system are generalized to invariants for every value of the system’s parameter.An automata-theoretic framework for reasoning about infinite-state sequential systemswas developed in[KV00,KPV02](see exposition in[Cac02a]).The automata-theoretic approach uses the theory of automata as a unifying paradigm for system specification,ver-ification,and synthesis[WVS83,EJ91,Kur94,VW94,KVW00].Automata enable the sep-aration of the logical and the algorithmic aspects of reasoning about systems,yielding clean and asymptotically optimal algorithms.Traditionally automata-theoretic techniquesprovide algorithms only for local model-checking[CVWY92,KV00,KPV02].As model-checking in the automata-theoretic approach is reduced to the emptiness of an automaton, it seems that this limitation to local model checking is inherent to the approach.Forfinite-state systems we can reduce global model-checking to local model-checking by iterating over all the states of the system,which is essentially what happens in symbolic model checking of LTL[BCM92].For infinite-state systems,however,such a reduction can-not be applied.In this paper we remove this limitation of automata-theoretic techniques. We show that the automata-theoretic approach to infinite-state sequential systems general-izes nicely to global model-checking.Thus,all the advantages of using automata-theoretic methods,e.g.,the ability to handle regular labeling and regular fairness constraints,the ability to handle-calculus with backward modalities,and the ability to check realizability [KV00,ATM03],apply also to the more general problem of global model checking.We use two-way tree alternating automata to reason about properties of infinite-state sequential systems.The idea is based on the observation that states of such systems can be viewed as nodes in an infinite tree,and transitions between states can be simulated byfinite-state automata.Checking that the system satisfies a temporal property can then be done by a two-way alternating automaton.Local model checking is then reduced to emptiness or membership problems for two-way tree automataIn this work,we give a solution to the global model-checking problem.The set of con-figurations of a prefix-recognizable system satisfying a-calculus property can be infinite, but it is regular,so it isfinitely represented.We show how to construct a nondeterminis-tic word automaton that accepts all the configurations of the system that satisfy(resp.,do not satisfy)a branching-time(resp.,linear-time)property.In order to do that,we study the global membership problem for two-way alternating parity tree automata and two-way path automata.Given a regular tree,the global membership problem is tofind the set of states of the automaton and locations on the tree from which the automaton accepts the tree.We show that in both cases the question is not harder than the simple membership problem(is the tree accepted from the root and the initial state).Our result matches the upper bounds for global model checking established in[BEM97,EHRS00,EKS01,KPV02,Cac02b].Our contribution is in showing how this can be done uniformly in an automata-theoretic frame-work rather than via an eclectic collection of techniques.2Preliminaries2.1Labeled Rewrite SystemsA labeled transition graph is,where is afinite set of labels,is a (possibly infinite)set of states,is a labeling function,is a transition relation,and is an initial state.When,we say that is a successor of,and is a predecessor of.For a state,we denote by,the graph with as its initial state.An-computation is an infinite sequence of statessuch that and for all,we have.An-computationinduces the-trace.Let be the set of all-traces.A rewrite system is,where is afinite set of labels,is afinite alphabet,is afinite set of states,is a labeling function that depends only on thefirst letter of(Thus,we may write.Note that the label is defined also for the case that is the empty word).Thefinite set of rewrite rules is defined below.The set of configurations of the system is.Intuitively,the system hasfinitely many control states and an unbounded store.Thus,in a configuration we refer to as the control state and to as the store.We consider here two types of rewrite systems.In a pushdown system,each rewrite rule is.Thus,.In a prefix-recognizable system,each rewrite rule is reg reg reg,where reg is the set of regular expressions over.Thus,reg reg reg. For a word and a regular expression reg we write to denote that is in the language of the regular expression.We note that the standard definition of prefix-recognizable systems does not include control states.Indeed,a prefix-recognizable system without states can simulate a prefix-recognizable system with states by having the state as thefirst letter of the unbounded store.We use prefix-recognizable systems with control states for the sake of uniform notation.The rewrite system starting in configuration induces the labeled transition graph.The states of are the configurations of and if there is a rewrite rule leading from configurationto configuration.Formally,if is a pushdown system,thenif;and if is a prefix-recognizable system,thenif there are regular expressions,,and such that,,,and .Note that in order to apply a rewrite rule in stateof a pushdown graph,we only need to match the state and thefirst letter of with the second element of a rule.On the other hand,in an application of a rewrite rule in a prefix-recognizable graph,we have to match the state and we shouldfind a partition of to a prefix that belongs to the second element of the rule and a suffix that belongs to the third element.A labeled transition graph that is induced by a pushdown system is called a pushdown graph.A labeled transition system that is induced by a prefix-recognizable system is called a prefix-recognizable graph.Example1.The pushdown system,,with,,,,,,,,,,,,and,,andwhen starting from in-duces the labeled transition graph on the right.Consider a prefix-recognizable system.For a rewrite rule ,,,,,let,for,be the non-deterministic automaton for the language of the regular expression.We assume that all initial states have no incoming edges and that all accepting states have no outgoing edges. We collect all the states of all the automata for,,and regular expressions.Formally, ,,and.We define the size of as the space required in order to encode the rewrite rules in and the labeling function.Thus,in a pushdown system,,and in a prefix-recognizable system,.We are interested in specifications expressed in the-calculus[Koz83]and in LTL [Pnu77].For introduction to these logics we refer the reader to[Eme97].We want to model check pushdown and prefix-recognizable systems with respect to specifications in these logics.We differentiate between local and global model-checking.In local model-checking, given a graph and a specification,one has to determine whether satisfies.In global model-checking we are interested in the set of configurations such that satisfies.As is infinite,we hope tofind afinite representation for this set.It is known that the set of states of a prefix-recognizable system satisfying a monadic second-order formula is regular [Cau96,Rab72],which implies that this also holds for pushdown systems and for-calculus and LTL specifications.In this paper,we extend the automata-theoretic approach to model-checking of sequen-tial infinite state systems[KV00,KPV02]to global model-checking.Our model-checking algorithm returns a nondeterministicfinite automaton on words(NFW,for short)recogniz-ing the set of configurations that satisfy(not satisfy,in the case of LTL)the specification. Our results match the previously known upper bounds[EHRS00,EKS01,Cac02b].4 Theorem1.Global model-checking for a system and a specification is solvable–in time and space,where is a pushdown system and is an LTL formula.–in time and space,where is a prefix-recognizable system and is an LTL formula.–in time,where is a prefix-recognizable system and is a-calculus formula of alternation depth.2.2Alternating Two-way AutomataGiven afinite set of directions,an-tree is a set such that if,where and,then also.The elements of are called nodes,and the empty word is the root of.For every and,the node is the parent of.Each node of has a direction in.The direction of the root is the symbol(we assume that).The direction of a node is.We denote by the direction of node .An-tree is a full infinite tree if.A path of a tree is a set such that and for every there exists a unique such that.Note that our definitions here dualize the standard definitions(e.g.,when,the successors of the node are and,rather than and)5.Given twofinite sets and,a-labeled-tree is a pair where is an-tree and maps each node of to a letter in.When and are not important or clear from the context,we call a labeled tree.We say that an-labeled -tree is-exhaustive if for every node,we have.A tree is regular if it is the unwinding of somefinite labeled graph.More formally,a transducer is a tuple,where is afinite set of directions,is afinite alphabet,is afinite set of states,is a start state,is a deterministic transition function,and is a labeling function.We definein the standard way:and.Intuitively,a transducer is a labeledfinite graph with a designated start node,where the edges are labeled by and the nodes are labeled by.A-labeled-tree is regular if there exists a transducer,such that for every,we have.We then say that the size of,denoted,is,the number of states of.Alternating automata on infinite trees generalize nondeterministic tree automata and werefirst introduced in[MS87].Here we describe alternating two-way tree automata.For afinite set,let be the set of positive Boolean formulas over(i.e.,boolean formulas built from elements in using and),where we also allow the formulas and,and,as usual,has precedence over.For a set and a formula ,we say that satisfies iff assigning to elements in and assigning to elements in makes true.For a set of directions,the extension of is the set(we assume that).An alternating two-way automaton over-labeled-trees is a tuple,where is the input alphabet,is afinite set of states,is an initial state,is the transition function,and specifies the acceptance condition.A run of an alternating automaton over a labeled tree is a labeled treein which every node is labeled by an element of.A node in,labeled by, describes a copy of the automaton that is in the state and reads the node of.Many nodes of can correspond to the same node of;there is no one-to-one correspondence between the nodes of the run and the nodes of the tree.The labels of a node and its succes-sors have to satisfy the transition function.Formally,a run is a-labeled-tree, for some set of directions,where and satisfies the following:1.and.2.Consider with and.Then there is a(possiblyempty)set,such that satisfies,and for all,there is such that and the following hold:–If,then.–If,then.–If,then,for some and,and. Thus,-transitions leave the automaton on the same node of the input tree,and-transitions take it up to the parent node.Note that the automaton cannot go up the root of the input tree,as whenever,we require that.A run is accepting if all its infinite paths satisfy the acceptance condition.We consider here parity acceptance conditions[EJ91].A parity condition over a state set is a finite sequence of subsets of,where. The number of sets is called the index of.Given a run and an infinite path ,let be such that if and only if there are infinitely many for which.That is,is the set of states that appear infinitely often in.A path satisfies the condition if there is an even for whichand.An automaton accepts a labeled tree if and only if there exists a run that accepts it.We denote by the set of all-labeled trees that accepts.The automaton is nonempty iff.The B¨u chi acceptance condition[B¨u c62]is a private case of parity of index3.The B¨u chi condition is equivalent to the parity condition.A path satisfies the B¨u chi condition iff.We say that is one-way if is restricted to formulas in.We say that is nondeterministic if its transitions are of the form),in such cases we write.In the case that,is a word automaton.Theorem2.Given an alternating two-way parity tree automaton with states and in-dex,we can construct an equivalent nondeterministic one-way parity tree automaton whose number of states is exponential in and whose index is linear in[Var98],and we can check the nonemptiness of in time exponential in[EJS93].The membership problem of an automaton and a regular tree is to determine whether accepts;or equivalently whether.For and,we say that accepts from if there exists an accepting run of that starts from state reading node(i.e.a run satisfying Condition2above where the root of the run tree is labeled by).The global membership problem of and regular tree is to determine the set accepts from.We use acronyms in to denote the different types of automata.Thefirst symbol stands for the type of movement of the automaton:1for1-way automata(we often omit the1)and2for2-way automata.The second symbol stands for the branching mode of the automaton:for alternating and for nondeterministic. The third symbol stands for the type of acceptance used by the automaton:for B¨u chi and for parity,and the last symbol stands for the object the automaton is reading:for words and for trees.For example,a2APT is a2-way alternating parity tree automaton and an NBW is a1-way nondeterministic B¨u chi word automaton.2.3Alternating Automata on Labeled Transition GraphsConsider a labeled transition graph.Let.An alter-nating automaton on labeled transition graphs(graph automaton,for short)[Wil99]6is a tuple,where,,,and are as in alternating two-way automata, and is the transition function.Intuitively,when is in state and it reads a state of,fulfilling an atom(or,for short)requires to send a copy in state to some successor of.Similarly,fulfilling an atom requires to send copies in state to all the successors of.Thus,graph automata cannot distinguish between the various successors of a state and treat them in an existential or universal way.Like runs of alternating two-way automata,a run of a graph automaton over a labeled transition graph is a labeled tree in which every node is labeled by an element of.A node labeled by,describes a copy of the automaton that is in the state of and reads the state of.Formally,a run is a-labeled-tree, where is some set of directions,,and satisfies the following:1.and.2.Consider with and.Then there is a(possiblyempty)set,such that satisfies,and for all,we have:–If,then there is such that and.–If,then for every successor of,there is such that and.–If,then there is a successor of and such that and.Acceptance is defined as in2APT runs.The graph is accepted by if there is an ac-cepting run on it.We denote by the set of all graphs that accepts and by the automaton with as its initial state.We use graph automata as our branching time specification language.We say that a labeled transition graph satisfies a graph automaton,denoted,if accepts. Graph automata have the same expressive power as the-calculus.Formally, Theorem3.[Wil99]Given a-calculus formula,of length and alternation depth, we can construct a graph parity automaton such that is exactly the set of graphs satisfying.The automaton has states and index.We use NBW as our linear time specification language.We say that a labeled transition graph satisfies an NBW,denoted,if(where is the initial state of)7.We are especially interested in cases where,for some set ofatomic propositions,and in languages definable by NBW or formulas of the linear temporal logic LTL[Pnu77].For an LTL formula,the language of,denoted ,is the set of infinite words that satisfy.Theorem4.[VW94]For every LTL formula,there exists an NBW with states such that.Given a graph and a specification,the global model-checking problem is to com-pute the set of configurations of such that.Whether we are interested in branching or linear time model-checking is determined by the type of automaton used.3Global Membership for2APTIn this section we solve the global membership problem for2APT.Consider a2APT and a regular tree.Our construction consists of two stages. First,we modify into a2APT that starts its run from the root of the tree in an idle state.In this idle state it goes to a node in the tree that is marked with a state of.From that node,the new automaton starts a fresh run of from the marked state.We convert into an NPT[Var98].Second,we combine with an NBT that accepts only trees that have exactly one node marked by some state of.We check now the emptiness of this automaton.From the emptiness information we derive an NFW that accepts a word in state(i.e.the run ends in state of;state is an accepting state of) iff accepts from.Theorem5.Consider a2APT and a regular tree.We can construct an NFW that accepts the word in stateiff accepts from.Let be the number of states of and its index;the NFW is constructible in time exponential in.Proof.Let and.Consider the2APTwhere,is a new initial state and is defined as follows.andandClearly,accepts a-labeled tree iff there is a node in labeled byfor some and accepts the projection of on when it starts its run from node in state.Let be the NPT that accepts exactly those trees accepted by[Var98].If has states and index then hasstates and index.Let be the transducer inducing the labeling of.We con-struct an NBT that accepts-labeled trees whose projection on is and have exactly one node marked by a state in.Consider the NBTwhere is defined as follows.For letbe the tuple where the-th element is the-successor of and all elements are marked by except for the-th element,which is marked by.Intuitively,a state accepts a subtree all of whose nodes are marked by.A state means that is still searching for the unique node labeled by a state in.The transition to means that is looking for that node in direction.andandandOtherwiseClearly,accepts a-labeled tree iff the projection of on is exactly and all nodes of are labeled by except one node labeled by some state.Let be the product of and where,,is defined below and is obtained from by setting and for we have.Thus,states are visitedfinitely often,and otherwise only the state of is important for acceptance.For every stateand letter the transition function is defined by:andEvery tree accepted by has a unique node labeled by a state of and all other nodes are labeled by,and if is the projection of on then accepts from.The number of states of is and its index is.We can check whether accepts the empty language in time exponential in.The emptiness algorithm returns the set of states of whose language is not empty[EJS93].From now on we remove from the state space of all states whose language is empty.Thus,transitions of contain only tuples such that all states in the tuple have non empty language.We are ready to construct the NFW.The states of are the states of in in addition to(the set of states of).Every state in is an accepting sink of .For the transition of we follow transitions of-states.Once we can transition into a tuple where the is removed,we transition into the appropriate accepting states.Let,where,is the initial state of,is the set of states of(accepting sinks in),and is defined below.Consider a state.Its transition in is of the formandandFor every tuple,we add to .For every tuple,we add the letter used in the transition to.Lemma1.A word is accepted by in a state iff accepts from. The proof of the Lemma is in Appendix A.4Global Model Checking of Branching Time PropertiesIn this section we solve the global model-checking for branching time specifications by a reduction to the global membership problem for2APT.The construction is somewhat dif-ferent from the construction in[KV00]as we use the global-membership of2APT instead of the emptiness of2APT.Consider a rewrite system.Recall that a configuration of is a pair.Thus,the store corresponds to a node in the full infinite-tree.An automaton that reads the tree can memorize in its state space the state component of the configuration and refer to the location of its reading head in as the store.We would like the automaton to“know”the location of its reading head in.A straightforward way to do so is to label a node by.This,however,involves an infinite alphabet.We show that labeling every node in by its direction is sufficiently informative to provide the2APT with the information it needs in order to simulate transitions of the rewrite system. Let be the tree where.Theorem6.Given a pushdown system and a graph automaton,there is a2APT on-trees and a function that associates states of with states of such that accepts from iff.The automaton has states,and has the same index as.States of the automaton have three components:a state of,a state of,and navi-gation information.States are partitioned into action states and navigation states.An action state that includes state of and state of and reads node(in an accepting run of )means that starting in accepts.A navigation state,contains the informa-tion on how to navigate to a new node in the tree.From an action state,in order to check that the requirements imposed by state of on the graph,the transition is simulated by by sending a copy that navigates to some successor of configurationand from there applies new actions.A transition is simulated by by sending copies that navigate to all the successors of configuration.The full proof of Theorem6is in Appendix B.1.We extend the above construction to prefix-recognizable systems.Again the two-way automaton navigates through the full-tree and simulates transitions of the rewrite system. In order to apply a rewrite rule,the automaton goes up the tree along a word in,it checks that the suffix is in by sending a separate copy to the root,and moves downwards along a word in.Theorem7.Given a prefix-recognizable system and a graph au-tomaton,there is a2APT on-trees and a function that asso-ciates states of with states of such that accepts from iff.The automaton has states,and has the same index as.As in the case of pushdown systems,states of the automaton contain a state of, a state of,and navigation information.The navigation information,relating to a rewrite rule,is a state of an automaton for.Again,states are partitioned into action and navigation states,this time navigation states are either universal or existential(indicating whether they are part of a transition of or a transition of).In order to simulate a transition,existential navigation states are used.The automaton guesses a transition,it spawns an existential navigation state that contains the initial state of.The navigation phase continues by emulating the run of while going up the tree(towards the root).Once an accepting state ofis reached,spawns an extra navigation process that is in charge of going to the root and ensuring that the current location is a member in(that is,spawn a navigation state with a state of).Simultaneously,proceeds with a navigation state that contains a state of.It emulates a run of backwards and guesses a word in.In order to simulate a transition,universal navigation states are used.In order to check all possible successors of the configuration,the behavior of universal navigation states is dual. The full proof of Theorem7is in Appendix B.2.The constructions in Theorems6and7reduce the global model-checking problem to the global membership problem of a2APT.By Theorem5,we then have the following. Theorem8.Global model-checking for a pushdown or a prefix-recognizable system and a graph automaton,can be solved in time exponential in,where and is the index of.Together with Theorem3,we can conclude with an EXPTIME bound also for the global model-checking problem of-calculus formulas,matching the lower bound in[Wal96]. Note that the fact the same complexity bound holds for pushdown and prefix-recognizable rewrite systems stems from the different definition of in the two cases.。
生物样本库信息管理系统的设计和实现
系统研发与应用System Research and Application生物样本库信息管理系统的设计和实现System Research and Application系统研发与应用2 系统设计生物样本库信息管理系统是以图1 临床资源库网络信息管理系统图2 LIS系统图3 HIS系统 2.1 系统分析生物样本库信息管理系统是技术难点和科技含量较高的生物样本库信息系统。
生物样本库信息技术是与高效运行的医院信息系统（HIS）、电子病历系统（EMR）、检验信息系统（LIS）、放射医疗学管理系统（RIS）对接的医疗结构的基础设施和基础结构的集成，围绕卫生部“基于电子病历的医院信息平台建设技术方案”为宗旨，探索生物样本库平台建设以及无线临床应用，探索建立生物样本库样本的标准化采集，保存流程和生物样本库信息整合，分析及检索查询和尝试移动终端为社区流调数据归档和建立的可行性研究和分析。
本系统是基于SOAP模式的数据采集，采用Broswer/Server（B/S）和Client/Server（C/S）混合架构。
考虑到系统的可扩展性及跨平台性，数据库系统选择采用SQL Severs 2005，实高，系统设计分为表现层，业务逻辑层和数据访问层系统。
系统设有不同图4 EMR系统图5 统一医学语言系统80第8卷第10期System Research and Application系统研发与应用本信息，优化流程，探索开发一套服务于国内转化医学研究的生物样本库信息管理和决策支持系统。
2.3.2 管理权限的设置 优化流程、集中控制采集、分级权限管理解决了物理访问控制的矛盾，避免了数据泄露。
网络边界管理，数据访问限制和数字签名，完善的密码验证和分级权限登录验证机制，及时的数据备份可以从容应对紧急情况下发生的灾难事件，将数据损失降低到最低，加强对接医院端生物样本库的临床信息管理系统的安全管理。
在有限元要素的建立下，确保生物样本患者个人隐私安全进行设计架构。
国家科研论文和科技信息高端交流平台的战略定位与核心特征
国家科研论文和科技信息高端交流平台的战略定位与核心特征*李广建，罗立群*本文系国家社会科学基金重大项目“大数据时代知识融合的体系架构、实现模式及实证研究”（项目编号：15ZDB129）研究成果。
摘要建设高端交流平台是对国家科技信息和科技情报体系的顶层设计，也是新时期科技情报研究和工作的指导思想，为科技情报的未来指明了发展方向。
在国家“十四五”规划中，高端交流平台的构建上升到了国家战略高度，是加强我国科学战略力量的重要任务之一，相较于一般意义的平台具有更丰富的内涵和更高的定位。
文章站在全球科技格局和创新生态的高度，从国家科技安全、国家重大需求、科技创新范式等三个维度系统思考高端交流平台的战略定位。
基于对高端交流平台的三个定位、中国国家科技战略发展的根本需要以及对全球科技创新态势的正确认知，结合中国国情，从三个维度阐释高端交流平台构建的核心特征：一是开放，从单向被动不对等开放走向双向主动对等开放交流；二是融合，从成果发布走向知识融合；三是计算，从辅助科学发现的工具走向自主科学发现的主体。
关键词高端交流平台知识融合情报计算科学发现开放科学引用本文格式李广建，罗立群.国家科研论文和科技信息高端交流平台的战略定位与核心特征[J].图书馆论坛，2022，42（1）：13-20.On the Positioning and Core Features of the National High-end Exchange Platform for Scientific and Technological Papers and InformationLI Guangjian &LUO LiqunAbstract The construction of the national high-end exchange platform for scientific and technological papers and information is among the top-level designs of the national scientific and technological information and intelligence system ，and it is vital for the strengthening of China ’s scientific strategic forces.With a view of global scientific andtechnological pattern and innovation ecology ，this paper discusses the positioning of such a national high-end exchange platform ，focusing on national scientific and technological security ，major national needs ，and scientific and technological innovation paradigms.It then makes an analysis of its three core features ，i.e.，openness ，fusion ，and computing.As for openness ，it should transfer from the one-way passive non-equivalent openness to the two-way active reciprocal open communication.As for fusion ，it should transfer from the singlerelease of scientific and technological findings to the fusion of such findings.As for computing ，it should not onlyact as a tool to assist scientific discovery ，but also become a main body of autonomous independent scientific discoveries.Keywords high-end exchange platform ；knowledge fusion ；intelligence computing ；scientific discovery ；open science0引言国家科研论文和科技信息高端交流平台(以下简称“高端交流平台”)已经被正式列入《中华人民共和国国民经济和社会发展第十四个五年规划和2035年远景目标纲要》，这是党和国家在“百年未有之大变局”时代对我国国家科技创新体系的高瞻远瞩，是对国家科技信息和科技情报体系的顶层设计，也是新时期科技情报研究和工作的指导思想，为科技情报的未来指明了发展方向。
面向对象例题
（1）阅读下列说明和图，完成问题1至问题4,并在答题纸上自行列表写出答案。
【说明】在线会议审稿系统（Online Reviewing System. ORS）主要处理会议前期的投稿和审稿事务，其功能描述如下：（1）用户在初始使用系统时，必须在系统中注册（register）成为作者或审稿人。
（2）作者登录（login）后提交稿件和浏览稿件审阅结果。
提交稿件必须在规泄提交时间范用内，其过程为先输入标题和摘要，选择稿件所属主题类型，选择稿件所在位巻（存储位宜）。
上述几步若未完成，则重复；若完成，则上传稿件至数据库中，系统发送通知。
（3）审稿人登录后可设置兴趣领域，审阅稿件给岀意见，以及罗列录用和（或）拒绝的稿件。
（4）会议委员会主席是一个特殊的审稿人，可以浏览提交的稿件、给审稿人分配稿件、罗列录用和（或）拒绝的稿件，以及关闭审稿过程。
英中关闭审稿过程须包括罗列录用和（或）拒绝的稿件。
系统采用而向对象的方法开发，使用UML进行建模。
在建模用例图时，常用的方式是先识别参与者，然后确定参与者如何使用系统来确泄用例，每个用例可以构造一个活动图。
参与者名称、用例和活动名称分别参见表1、表2和表3。
系统的部分用例图和提交稿件的活动图分别如图1和图2所示。
表1参与者列表使用表2和表3中的英文名称,给出图2中Action 1-Action4对应的活动。
答案：【问题1】（4分）根据【说明】中的描述，使用表1中的英文名称，给岀图1中A1-A4所对应的参与者。
A1User （1 分） A2Author （1 分） A3Reviewer （1 分）【问题2】（3分）根据【说明】中的描述, 使用表2中的英文名称，给岀图1中U1~U3所对应的用例。
【问题3】（4分）根据【说明】中的描述, 给出图1中（1）和（2）所对应的关系及其含义。
【问题4】（4分）根据【说明】中的描述, ORS根据【说明】中的描述, 使用表1中的英文名称，给岀图1中A1-A4所对应的参与者。
西北工业大学智慧树知到“信息管理与信息系统”《管理信息系统》网课测试题答案5
西北工业大学智慧树知到“信息管理与信息系统”《管理信息系统》网课测试题答案（图片大小可自由调整）第1卷一.综合考核(共15题)1.结构化系统开发方法的每一个阶段都有明确的工作目标。
()A.错误B.正确2.3.IPO图的主体是处理过程描述，描述处理过程的工具，可以使用()。
A.程序流程图B.N-S图C.决策表D.结构化语言、决策树4.在输入设计中，提高效率和减少错误是两个最根本的原则。
()A.错误B.正确5.下列不属于物理配置方案设计的依据的是()。
A.系统吞吐量B.系统响应时间C.系统处理方式D.系统的输出方式6.大规模集成电路的出现是在计算机硬件发展的()。
A.第二代B.第三代C.第四代D.第五代7.把管理信息系统划分成生产、计划、财务、供销、劳资等子系统，是()。
A、按物理结构进行划分的B、按整体结构进行划分的C、按职能进行划分的D、按层次结构进行划分的8.管理信息系统的技术基础包括()。
A、计算机技术B、网络技术C、数据库技术D、管理技术9.系统总体结构设计是否合理，对提高系统的各项指标至关重要，这些指标包括系统的()等。
A、可行性B、可用性C、可维护性D、易读性和效率10.系统开发是系统建设中工作任务最为繁重的阶段。
()A.错误B.正确11.所谓管理信息系统的结构，指的是()。
A、管理信息系统的组成及其各组成部分之间的关系B、管理信息系统的计算机硬件结构C、管理信息系统的应用软件的结构D、管理信息系统的物理结构12.数据库的功能中，包括数据字典、用户数据、存取路径等的是()。
A.数据库操纵功能B.数据库运行管理C.数据库的建立和维护功能D.数据组织、存储和管理功能13.数据库系统的组成部分包括()。
A.数据库B.计算机系统C.数据库管理系统D.DBA14.生命周期法通常是在系统需求比较确定的情况下采用的。
()A.错误B.正确15.数据一般会影响人们的决定，而信息不会。
()A.错误B.正确第2卷一.综合考核(共15题)1.对于经济管理方面的信息来说，传递速度愈快、使用愈及时，那么其()。
- 1、下载文档前请自行甄别文档内容的完整性，平台不提供额外的编辑、内容补充、找答案等附加服务。
- 2、"仅部分预览"的文档,不可在线预览部分如存在完整性等问题,可反馈申请退款(可完整预览的文档不适用该条件!)。
- 3、如文档侵犯您的权益，请联系客服反馈,我们会尽快为您处理(人工客服工作时间：9:00-18:30)。
第一届（2013）复杂管理系统建模与仿真国际研讨会征文通知仿真建模、分析与优化，已经成为解决复杂管理系统的重要手段，正日益受到理论界和实践界的广泛关注。
本会议的目标，旨在为国内外从事复杂管理系统建模与仿真的研究及实践人员提供一个高水平的、专业的论坛，通过思想碰撞与信息交流，探讨系统仿真领域的最新理论和实践，促进相互合作，进而推动仿真建模、分析与优化技术在复杂管理系统中的研究与应用。
本会议邀请了国内外在仿真领域卓有建树的知名学者参加，如美国建模与仿真学会（SCS ）主席J. Fowler 教授，美国冬季仿真会议（WSC ）主任委员会委员J. Smith 教授，2012年WSC 会务主席美国亚利桑那大学Y .J. Son 教授等；以及中国系统仿真学会、广东省系统工程学会推荐的众多专家学者。
会议将请各位专家学者就仿真理论、技术及其应用的最新进展做主题报告，大会还将组织针对性强的分组专题报告与研讨。
第一届（2013）复杂管理系统建模与仿真国际研讨会期待您的参与和交流。
主办单位：中国系统仿真学会离散仿真专业委员会 广东省系统工程学会 深圳大学承办单位：深圳大学（管理学院） 赞助单位：深圳本斯集团 会议地点：中国·广东·深圳会议网站：/ismscs13/ 会议时间：2013年6月1日至2日 会议主席：李凤亮教授，深圳大学副校长 大会执行主席：陈智民教授，深圳大学管理学院院长周泓教授，北京航空航天大学张光宇教授，广东省系统工程学会Dr. J. Fowler ，Arizona StateUniv . (USA) Dr. J. Smith ，Auburn Univ . (USA) Dr. Y .J. Son ，Univ . of Arizona (U SA) 学术委员会主席：周泓教授，北京航空航天大学 学术委员会委员：Dr. J. Fowler ，Arizona StateUniv . (USA) Dr. J. Smith ，Auburn Univ . (USA) Dr. Y .J. Son ，Univ . of Arizona (U SA)Dr. P. Ahrweiler, Univ . of Dublin (Ireland) 范文慧教授，清华大学何世伟教授，北京交通大学 胡斌教授，华中科技大学 隽志才教授，上海交通大学 任佩瑜教授，四川大学卫军胡教授，西安交通大学 魏新教授，广东工业大学徐哲教授，北京航空航天大学 徐宗昌教授，装甲兵工程学院 张光宇教授，广东工业大学 周明教授，深圳大学朱一凡教授，国防科技大学 戈鹏副教授，四川大学刘蕾副教授，电子科技大学 龚晓光副教授，华中科技大学 潘燕春副教授，深圳大学赵晗萍副教授，北京师范大学会议主题：复杂管理系统建模、仿真与分析---理论研究与应用实践。
议题范围（会议议题包括但不限于以下方面）：1. 复杂管理系统建模：基于系统科学/系统工程的方法；2. 仿真建模与分析的理论和方法，如离散事件仿真、系统动力学仿真、多智能体仿真、嵌入式仿真等； 3. 仿真技术与工具；4. 基于仿真的复杂系统优化；5. 基于仿真的风险决策与分析；6. 面向可持续发展的绿色生产与服务：基于仿真的研究；7. 系统仿真与信息系统整合：决策支持与智能化管理； 8. 仿真在复杂管理系统中的应用，包括生产制造系统、供应链与物流系统、交通运输系统、计算机/通讯网络管理系统、医疗服务管理系统、旅游与智慧景区管理系统、作战与综合保障系统，以及循环经济、项目管理、流程再造、工程或技术管理、战略管理、信息管理与电子商务等各大领域。
会议出版物：会议拟将录用的论文以光盘形式出版，并申请国际权威检索机构（EI/ISTP ）审查收录。
论文投递：论文请用英文撰写，MS W ord 编辑，采用电子投稿方式，投递至大会邮箱ismscs2013@ ，论文格式规范详见会议网站/ismscs13/。
最佳论文奖：大会将评选最佳论文奖（最多3篇），并颁发获奖证书。
重要时间：2013年3月1日，论文扩展摘要或全文（最多6页）投稿截止；2013年4月1日，论文录用与否通知；2013年5月15日，大会注册截止；2013年6月1日-2日，会议召开。
费用：版面费800元（5页内），每超一页加100元；会务费700元每位。
版面费和会务费学生减半，详见会议网站。
International Symposium on Modeling and Simulation ofComplex Management Systems (ISMSCS-2013)Topics of Keynote Speeches（1）JOHN FOWLER（USA）Professor and Chair, Arizona State University; Former President, SCSTitle: SIMULATION OF HEALTHCARE SYSTEMSModern industrial engineering, systems engineering, operations management, and operations research methods hold significant p romise for healthcare systems and quality of care research. Among the most promising methods are queuing theory, simulation, and optimiz ation. This presentation will focus on the use of simulation to analyze and improve health care systems. We will discuss some of t he most common uses of simulation in healthcare and will point out some unique challenges in applying simulation to these complex systems.（2）JEFF SMITH（USA）Joe W. Forehand Jr. Professor, Auburn UniversityTitle: SIMULATION-BASED PLANNING AND SCHEDULING IN DISCRETE-PARTS MANUFACTURING ENVIRONMENTSThis talk will focus on the use of discrete-event simulation as a planning and scheduling tool for discrete parts manufacturing environments. Simulation has long been used for design and analysis of these types of manufacturing systems and recent advances in computer hardware, networking, and simulation software have expanded the usefulness of simu lation into the planning and scheduling domains. The talk will present a brief history of this technology and applications and will continue with a concrete example. Finally, an outlook for the future of this technology will be presented.（3）YOUNG-JUN SON（U SA）Professor, University of Arizona; Arizona Engineering FellowTitle:DISTRIBUTED FEDERA TION OF MUL TI-P ARADIGM SIMULA TIONS AND DECISION MODELS FOR PLANNING AND CONTROL: FROM SHOP FLOOR TO TOP FLOORIn this talk, we first discuss simulation-based shop floor planning and control, where 1) on-line simulation is used to evaluate decision alternatives at the planning stage, 2) the same simulation model (executing in the fast mode) used at the planning stage is used as a real-time task generator (real-time simulation) during the control stage, and 3) the real-time simulation drives the manufacturing system by sending and receiving messages to an executor. We then discuss how simulation-based shop floor planning and control can be extended to enterprise level activities (top floor). （4）PETRA AHRWEILER（IRELAND）Professor, University of Dublin; Director, UCD Innovation Research Union (IRU)Title: MODELLING RESEARCH AND INNOV ATION NETWORKS IN COMPLEX SOCIAL SYSTEMSInnovation policymakers, business managers and the public often expect that the current investments in R&D, universities, science-industry networks etc. will immediately produce a flow of products and processes with high commercial returns. The disappointments and legitimatory problems arising from missing outputs are considerable and show the limits of steering, control and policy functions… This presentatio n is about research on innovation in complex social systems. It introduces an agent-based model called SKIN (acronym for Simulating Knowledge Dynamics in innovation Networks) to simulate the effects and impacts of policy making on the structure, composition and outputs of research and innovation networks. The model will be discussed with two examples of its many policy-relevant contributions, (i) simulating the effects of different innovation management strategies of firms in the biotechnology-based pharmaceutical industry, and (ii) impact assessment and e-ante evaluation of European funding schemes in the ICT sector. Using real-world datasets and in close response to questions put forward by stakeholders, the model can provide precise, detailed information on the effects of specific policy instruments, on how/how well research and innovat ion networks operate, and how to understand and manage the relationship between research funding and policy goals. Importantly, the model allows for experimenters to change policy parameters in the simulations. This allows using the system as a tool for modeling and evaluating the results of specific interactions between policies, funding strategies and agents.（5）HONG ZHOU（CHINA）Professor, Beihang University; Chair, Chinese Society of Systems Simulation-Discrete Event Simulation CommitteeTitle: THE STA TE-OF-THE-AR T OF SIMULA TION RESEARCH AND EDUCA TION IN CHINASimulation in China is relatively new compared with that in most developed countries. However, it received significant concerns since it was introduced and keeps almost the same pace in many aspects. In the simulation modeling areas, some research results of the theories and methods for complex system modeling and simulation are even slightly higher than the international level. In simulation system development, the research on simulation system theory is generally consistent with the current frontier, however the software engineering philosophy, methods and techniques in systems development still haven’t got sufficient attention and affected the progress of the simulation industry. This paper provided a comprehensive overview on simulation in China from different aspects, including main achievements, hot research areas, education institutions, disciplines and degree systems, academic organizations, etc., with the purpose or intention of giving a general picture of the state-of-the-art of simulation in China today. Some potential fields for future investigations are also proposed.（6）MING ZHOU（CHINA）Professor, Shenzhen University; Former director, Center for Systems Modeling & Simulation at Indiana State UniversityTitle: GREEN PRODUCTION STRA TEGIES: A SIMULATION BASED ANALYSISGreen production has become a requirement for low-carbon economy and sustainable development of modern production/service systems. The objectives and new conditions (or constraints, such as Cape-&-Trade) have caused a number of issues that significantly affect enterprises’decisions and systems’ performance. This talk presents an analysis on these issues through different simulation paradigms, in cluding discrete-event, system dynamics, and multi-agent models. It shows how simulation models, alone or integrated with other computational mechanisms, can achieve critical tasks such as characterization, evaluation and optimization of complex sustainable systems.。