We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^...We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^1 error estimatesare obtained. One contribution of this paper is a demonstration of how moleculardispersion can be handled.展开更多
A multibead-rod model is used to replace the constitutive equation of continuum me- chanics in solving flow problems of steady-state planar flows of rigid-rodlike molecular suspensions.The governing equations then con...A multibead-rod model is used to replace the constitutive equation of continuum me- chanics in solving flow problems of steady-state planar flows of rigid-rodlike molecular suspensions.The governing equations then constitute a set of differential equations of the elliptic type,which is more ame- nable to numerical treatment than those of the mixed type.The conservation equations of the flow fields are solved by the boundary element method with linear boundary elements in physical space and the diffusion equation of the distribution function is solved separately by the Galerkin method in phase space. The solution to the flow problem is obtained when the convergence of the iteration procedure between the two spaces has been reached.Several numerical examples are shown and the interesting features of the present method are discussed in this paper.展开更多
The BPA eight-chain molecular network model is introduced into the finite element formulation of elastic-plastic large deformation. And then, the tensile deformation localization development of the amorphous glassy ci...The BPA eight-chain molecular network model is introduced into the finite element formulation of elastic-plastic large deformation. And then, the tensile deformation localization development of the amorphous glassy circular polymeric bars (such as polycarbonates) is numerically simulated. The simulated results are compared with experimental ones, and very good consistence between numerical simulation and experiment is obtained, which shows the efficiency of the finite element analysis. Finally, the influences of the microstructure parameter S-ss on tensile neck-propagation and triaxial stress effect are studied.展开更多
Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DN...Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DNA.In our work,by full-atom molecular dynamic simulation, the effects of the Mg^2+ ion on the cyclic adenosine monophosphate(cAMP)response element binding protein(CREB)/cAMP response elements(CRE) complex are investigated.It is illustrated that the number of hydrogen bonds formed at the interface between protein and DNA is significantly increased when the Mg^2+ ion is added.Hence, an obvious change in the structure of the DNA is observed.Then the DNA base groove and base pair parameters are analyzed.We find that, due to the introduction of the Mg2+ ion, the DNA base major groove becomes narrower.A potential mechanism for this observation is proposed.It is confirmed that the Mg^2+ ion can enhance the stability of the DNA–protein complex.展开更多
Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow wi...Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow with molecular diffusion and dispersion. Some new techniques are introcued to error analysis. Only one dimensional case is considered. The optimal error estimate in both L^2 and H^1 is proved. A contribution of this paper is how the dispersion term can be handled,展开更多
基金The work is supported by Science Foundation of the Educational Committee of Shandong Province.
文摘We consider a nonlinear parabolic system describing compressible miscibledisplacement in a porous medium [5]. Continuous time and discrete time Galerkinmethods are introduced to approximate the solution and optimal H^1 error estimatesare obtained. One contribution of this paper is a demonstration of how moleculardispersion can be handled.
基金The project supported by the National Nature Science Fundation of China.
文摘A multibead-rod model is used to replace the constitutive equation of continuum me- chanics in solving flow problems of steady-state planar flows of rigid-rodlike molecular suspensions.The governing equations then constitute a set of differential equations of the elliptic type,which is more ame- nable to numerical treatment than those of the mixed type.The conservation equations of the flow fields are solved by the boundary element method with linear boundary elements in physical space and the diffusion equation of the distribution function is solved separately by the Galerkin method in phase space. The solution to the flow problem is obtained when the convergence of the iteration procedure between the two spaces has been reached.Several numerical examples are shown and the interesting features of the present method are discussed in this paper.
文摘The BPA eight-chain molecular network model is introduced into the finite element formulation of elastic-plastic large deformation. And then, the tensile deformation localization development of the amorphous glassy circular polymeric bars (such as polycarbonates) is numerically simulated. The simulated results are compared with experimental ones, and very good consistence between numerical simulation and experiment is obtained, which shows the efficiency of the finite element analysis. Finally, the influences of the microstructure parameter S-ss on tensile neck-propagation and triaxial stress effect are studied.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11705064,11675060,and 91730301)the Fundamental Research Funds for the Central Universities,China(Grant Nos.2662016QD005 and 26622018JC017)the Huazhong Agricultural University Scientific and Technological Self-Innovation Foundation Program,China(Grant No.2015RC021)
文摘Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DNA.In our work,by full-atom molecular dynamic simulation, the effects of the Mg^2+ ion on the cyclic adenosine monophosphate(cAMP)response element binding protein(CREB)/cAMP response elements(CRE) complex are investigated.It is illustrated that the number of hydrogen bonds formed at the interface between protein and DNA is significantly increased when the Mg^2+ ion is added.Hence, an obvious change in the structure of the DNA is observed.Then the DNA base groove and base pair parameters are analyzed.We find that, due to the introduction of the Mg2+ ion, the DNA base major groove becomes narrower.A potential mechanism for this observation is proposed.It is confirmed that the Mg^2+ ion can enhance the stability of the DNA–protein complex.
基金This work is suported by National Science Foundation
文摘Abstract A system of quasilinear coupled equations which arise from simulation of contamination of geologic nulear waste in porous media is studied. We’ll discuss Galerkin method for the model of compressible flow with molecular diffusion and dispersion. Some new techniques are introcued to error analysis. Only one dimensional case is considered. The optimal error estimate in both L^2 and H^1 is proved. A contribution of this paper is how the dispersion term can be handled,
