The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusio...The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusion coeffients of Li^+,K^+,F^- and Cl^- have been calculated. The results are in agreement with the experimental values.The regularities of the distribution of ions and mieroscopic holes are discussed based on the results of computerized simulation.展开更多
The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential ene...The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions.展开更多
The development of modern mechanics in recent years has made many importantprogresse in the concepts and methods for nonlinear large deforntation mechanics([1],[2],[3]etc.). The presenl paper is aimed to show how the ...The development of modern mechanics in recent years has made many importantprogresse in the concepts and methods for nonlinear large deforntation mechanics([1],[2],[3]etc.). The presenl paper is aimed to show how the natural co-moving systemmethod and Stokes-Chen,s decomposition theorem can be effectively appliedasymptotically to solving problems of finite defomation elasto-plasticity by inverseasymptotic method for enyineering design purpose. Rigid punch problem is exanipfifiedin the paper.展开更多
A simple, efficient, automatic and universal method to fulfill displacementanalysis of a great deal of mechanisms regenerated by Yan's mechanism creative theory has beendeveloped. For a regenerated mechanism, at f...A simple, efficient, automatic and universal method to fulfill displacementanalysis of a great deal of mechanisms regenerated by Yan's mechanism creative theory has beendeveloped. For a regenerated mechanism, at first, the method identifies its type and structure andchanges it into a rigid structure by fixing the ground link and the input link. And then this rigidstructure is decomposed into a set of basic kinematic chains (BKCs). By matching the type of BKC,the displacement analysis equations can be set up, and all possible configurations, in whichpositions of all movable links are considered, can be given out.展开更多
The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.The radial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F^- ions distribute closely arou...The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.The radial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F^- ions distribute closely around Dy^(3+) ions.There exist some fissures and holes between F^- ions and Li^+ ions. There are mainly two kinds of ionic types:the complex ions like DyF_n^(3-n) clusters with the central Dy^(3+) ions (the main ionic clusters are octahedral complex ions like DyF_6^(3-))and the“free”Li^+ ions.Moreover,some complex ions like DyF_n^(3-n) clusters are connected to one another by flourine-bridge,forming more compli- cated ionic clusters like Dy_m^(3m-n) F_n.By calculating the potential energies of all types of ions,it is concluded that Li^+ ions have the highest potential energy in the molten system,which are current-carrying ions in the electrolytic conductance.展开更多
The structure of NaAlO_2 melt has been studied by computerized simulation using Monte Carlo method.The radial distribution functions and Local structure of this melt are calculated.It has been found that NaAlO_2 melt ...The structure of NaAlO_2 melt has been studied by computerized simulation using Monte Carlo method.The radial distribution functions and Local structure of this melt are calculated.It has been found that NaAlO_2 melt contains ionic clusters formed by corner-sharing AlO_4 tetrahedra,sodium ions and xNa^+.yO^(2-) ionic clusters.展开更多
文摘The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusion coeffients of Li^+,K^+,F^- and Cl^- have been calculated. The results are in agreement with the experimental values.The regularities of the distribution of ions and mieroscopic holes are discussed based on the results of computerized simulation.
文摘The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions.
文摘The development of modern mechanics in recent years has made many importantprogresse in the concepts and methods for nonlinear large deforntation mechanics([1],[2],[3]etc.). The presenl paper is aimed to show how the natural co-moving systemmethod and Stokes-Chen,s decomposition theorem can be effectively appliedasymptotically to solving problems of finite defomation elasto-plasticity by inverseasymptotic method for enyineering design purpose. Rigid punch problem is exanipfifiedin the paper.
基金This project is supported by Teaching Research Award Program for Outstanding Young Teachers of MOE (No.1999076)by Shanghai Sustentation Foundation, China.
文摘A simple, efficient, automatic and universal method to fulfill displacementanalysis of a great deal of mechanisms regenerated by Yan's mechanism creative theory has beendeveloped. For a regenerated mechanism, at first, the method identifies its type and structure andchanges it into a rigid structure by fixing the ground link and the input link. And then this rigidstructure is decomposed into a set of basic kinematic chains (BKCs). By matching the type of BKC,the displacement analysis equations can be set up, and all possible configurations, in whichpositions of all movable links are considered, can be given out.
基金The project supported by Laboratory of Rare-Earth Chemistry and Physics,Changchun Institute of Applied Chemistry,Academia Sinica
文摘The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.The radial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F^- ions distribute closely around Dy^(3+) ions.There exist some fissures and holes between F^- ions and Li^+ ions. There are mainly two kinds of ionic types:the complex ions like DyF_n^(3-n) clusters with the central Dy^(3+) ions (the main ionic clusters are octahedral complex ions like DyF_6^(3-))and the“free”Li^+ ions.Moreover,some complex ions like DyF_n^(3-n) clusters are connected to one another by flourine-bridge,forming more compli- cated ionic clusters like Dy_m^(3m-n) F_n.By calculating the potential energies of all types of ions,it is concluded that Li^+ ions have the highest potential energy in the molten system,which are current-carrying ions in the electrolytic conductance.
文摘The structure of NaAlO_2 melt has been studied by computerized simulation using Monte Carlo method.The radial distribution functions and Local structure of this melt are calculated.It has been found that NaAlO_2 melt contains ionic clusters formed by corner-sharing AlO_4 tetrahedra,sodium ions and xNa^+.yO^(2-) ionic clusters.
