Off-lattice Monte Carlo methods for coarse-grained models of polymeric materials and selected applications[J] . Kurt Binder,Andrey Milchev.Journal of Computer-Aided Materials Design . 2002 (1)Kurt Binder,Andrey Milchev.  Off-lattice Monte Carlo methods for coarse-grained models of polymeric ...
It has been a big challenge to explore a direct relation of experimental parameters such as pH, electrolyte concentration, particle size, and temperature with the final structures of aggregates, because Monte Carlo simulations have been performed on the basis of arbitrarily chosen sticking probability...
Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo study 来自 掌桥科研 喜欢 0 阅读量: 26 作者:ZJ Wang,D Frenkel 摘要: We present a simple, implicit-solvent model for fluid bilayer membranes. The model was designed to reproduce the elastic properties of real bilayer ...
We propose a Monte Carlo method, which is a hybrid method of the quantumMonte Carlo method and variational Monte Carlo theory,to study the Hubbard model.Th... T Yanagisawa,S Koike,K Yamaji - 《Journal of the Physical Society of Japan》 被引量: 41发表: 1999年 Variational Monte-Carlo Studi...
theshort-rangelateralinteractions,thedipolemoment(long-rangeinteractions),andtheresidencecharge.Fromthesepa-rameters,weconstructanoff-latticemodelwithnofreelyadjustableparameters.Thesimulationresultscompareremarkablywellwithexperimentalresults.Keywords:Bromine,MonteCarloSimulations,DensityFunctionalCalculations,Adsorption...
can explain why it fails to reveal any particular trend in misfit volumes (Fig.4a) and it is, thus, not a useful descriptor for the CRSS, as can be seen in Fig.4c. Another popular model – the rule of mixtures (ROM), also known as Vegard’s law when applied to the lattice constan...
The GPDs are constructed from double distributions and constrained by the latest results from lattice QCD and transversity parton distribution functions [48]. A special emphasis is given to the GPDs HT and E‾T=2H˜T+ET, while contributions from other chiral-odd GPDs are neglected in the ...
Gas hydrate Bangladesh Seismic reflection data BSR Gas migration Geothermal gradient Gas hydrate stability modelling 1. Introduction Gas hydrate is an ice-like crystalline solid, comprising a hydrogen-bonded water lattice with trapped gas molecules, that is stable at high pressures and low temperatures ...
smaller drag and diffusion charm coefficient that is dependent on charm momentum. however when the comparison is done renormalizing the energy density of the system, that is the one of lattice qcd, one can see that the main effect of off-shell dynamics is to reduce the increase of the drag...
MonteCarlo模拟 1. Monte Carlo simulationof neutron-γ-ray energy spectra for water sandstone formation with various porosities; 各种孔隙度水砂地层中子-γ能谱MonteCarlo模拟 2. TheMonte Carlo simulationon a lattice model was used to study the liquid-liquid equilibria for ternary chain-like molecular...