Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using exten...Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.展开更多
A program of Monte Carlo simulation of binary copolymerization for E-SBR (emulsion polymn. SB rubber) was made according to the terminal model. The simulation results obtained by this program were in good agreement wi...A program of Monte Carlo simulation of binary copolymerization for E-SBR (emulsion polymn. SB rubber) was made according to the terminal model. The simulation results obtained by this program were in good agreement with those experimental ones. A detail microstructure information of E-SBR molecular chain has been provided.展开更多
The magnetic properties of a mixed spin-2 and spin-1/2 ferromagnetic diamond chain are studied by effective-field theory and Monte Carlo（MC） simulation based on the Ising model.The temperature dependences of magneti...The magnetic properties of a mixed spin-2 and spin-1/2 ferromagnetic diamond chain are studied by effective-field theory and Monte Carlo（MC） simulation based on the Ising model.The temperature dependences of magnetization,magnetic susceptibility,internal energy,and specific heat are studied,respectively.The exchange interaction dependences of magnetization and the critical temperature are calculated by MC simulation.The changes of magnetization depending on the field increasing and then the field decreasing under steady-static conditions are also given.展开更多
A part of a long DNA chain was driven into a confined environment by an electric field, while the rest remains in the higher-entropy region. Upon removal of the field, the chain recoils to the higher-entropy region sp...A part of a long DNA chain was driven into a confined environment by an electric field, while the rest remains in the higher-entropy region. Upon removal of the field, the chain recoils to the higher-entropy region spontaneously. This dynamical process was investigated by Monte Carlo simulations. The simulation reproduces the experimentally-observed phenomenon that the recoil of the DNA chain is initially slow and gradually increases in speed due to the presence of the confinement-entropic force. The results show that with increasing the dimension or decreasing the spacing of the nanopillars the recoil velocity of the DNA chain will increase. Further analysis suggests that the characteristic entropy per monomer in the confinement is proportional to the area fraction of the free part in the confinement.展开更多
The configurational properties of tail-like polymer chains with one end attached to a flat surface are studied by using dynamic Monte Carlo technique. We find that the probability distribution of the free end in z dir...The configurational properties of tail-like polymer chains with one end attached to a flat surface are studied by using dynamic Monte Carlo technique. We find that the probability distribution of the free end in z direction P（Rz） and the density profile p（z） can be scaled approximately by a factor β to be a length independent function for both random walking （RW） and self-avoiding walking （SAW） tail-like chains, where the factor β is related to the mean square end-to-end distance 〈RE〉. The scaled P（Rz） of the SAW chain roughly overlaps that of the RW chain, but the scaled p（z） of the SAW chain locates at smaller βz than that of the RW chain.展开更多
基金Supported by the National Science Foundation of China (No. 29736170, No. 20025618) and the Doctoral Research Foundation by Ministry of Education of China (No. 1999025103). Additional support provided by the Visiting Researcher Foundation of University La
文摘Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.
文摘A program of Monte Carlo simulation of binary copolymerization for E-SBR (emulsion polymn. SB rubber) was made according to the terminal model. The simulation results obtained by this program were in good agreement with those experimental ones. A detail microstructure information of E-SBR molecular chain has been provided.
基金Project supported by the Shanghai Leading Academic Disciplines Project,China (Grant No. T0104)the National Natural Science Foundation of China(Grant No. 10674092)
文摘The magnetic properties of a mixed spin-2 and spin-1/2 ferromagnetic diamond chain are studied by effective-field theory and Monte Carlo（MC） simulation based on the Ising model.The temperature dependences of magnetization,magnetic susceptibility,internal energy,and specific heat are studied,respectively.The exchange interaction dependences of magnetization and the critical temperature are calculated by MC simulation.The changes of magnetization depending on the field increasing and then the field decreasing under steady-static conditions are also given.
文摘A part of a long DNA chain was driven into a confined environment by an electric field, while the rest remains in the higher-entropy region. Upon removal of the field, the chain recoils to the higher-entropy region spontaneously. This dynamical process was investigated by Monte Carlo simulations. The simulation reproduces the experimentally-observed phenomenon that the recoil of the DNA chain is initially slow and gradually increases in speed due to the presence of the confinement-entropic force. The results show that with increasing the dimension or decreasing the spacing of the nanopillars the recoil velocity of the DNA chain will increase. Further analysis suggests that the characteristic entropy per monomer in the confinement is proportional to the area fraction of the free part in the confinement.
基金Project (No. 20204014) supported by the National Natural ScienceFoundation of China
文摘The configurational properties of tail-like polymer chains with one end attached to a flat surface are studied by using dynamic Monte Carlo technique. We find that the probability distribution of the free end in z direction P（Rz） and the density profile p（z） can be scaled approximately by a factor β to be a length independent function for both random walking （RW） and self-avoiding walking （SAW） tail-like chains, where the factor β is related to the mean square end-to-end distance 〈RE〉. The scaled P（Rz） of the SAW chain roughly overlaps that of the RW chain, but the scaled p（z） of the SAW chain locates at smaller βz than that of the RW chain.
