搜索结果: 1-7 共查到“知识库 化学 Simulation”相关记录7条 . 查询时间(0.108 秒)
The structure of colloidosomes with tunable particle density: simulation vs experiment
Colloidosome Monte Carlo simulation scanning electron microscopy radial distribution function
2012/5/29
Colloidosomes are created in the laboratory from a Pickering emulsion of water droplets in oil. The colloidosomes have approximately the same diameter and by choosing (hairy) particles of different di...
Evaluation of Phonon-level Density of UO2 by Molecular Dynamics Simulation
Molecular dynamics Phonon-level density Velocity auto-correlation function Uranium dioxide
2012/4/5
Molecular dynamics calculation of UO2 in a wide temperature range are presented and dis-cussed. The calculated lattice parameters, mean square displacements, and dynamic prop-erty of phonon-level dens...
氟化钾团簇的相变、成核和重结晶的分子动力学模拟（Molecular Dynamics Simulation of Phase Transition， Nucleation， Recrystalization of KF Clusters）
分子动力学模拟 相变 成核 重结晶 氟化钾团簇
2010/8/24
我们利用Born-Mayer-Huggins相互作用势函数对(KF)N(N=108，256，500和864)团簇进行了分子动力学(MD)模拟。为了避免周期性边界条件对相变、成核和重结晶的干扰作用，对体系采用了自由边界。基于MD模拟结果，对团簇的熔化温度、熔化焓、扩散系数、成核速率、固液界面自由能、临界核大小等进行了计算和讨论。在对(KF)864双晶团簇的热退火模拟中，观察到了固态的重结晶和晶粒的生...
Theoretical analysis and computer simulation of fluorescence lifetime measurements. II. Contour length dependence of single polymers
Theoretical analysis computer simulation fluorescence lifetime measurements Contour length dependence single polymers
2014/9/24
Fluorescence lifetime measurements in a polymer chain are modeled using a memory function expansion, computer simulations, and simple scaling arguments. Unless the quenching rate is localized and infi...
Theoretical analysis and computer simulation of fluorescence lifetime measurements. I. Kinetic regimes and experimental time scales
computer simulation fluorescence lifetime measurements Kinetic regimes experimental time scales
2014/9/24
The configuration-controlled regime and the diffusion-controlled regime of conformation-modulated fluorescence emission are systematically studied for Markovian and non-Markovian dynamics of the react...
Molecular Dynamics Simulation of Phase Transitions in Binary LJ Clusters
Molecular Dynamics Simulation Phase Transitions Binary LJ Clusters
2010/4/22
Molecular Dynamics Simulation of Phase Transitions in Binary LJ Clusters.
Theory and simulation of polar and nonpolar polarizable fluids
Theory and simulations polar and nonpolar polarizable fluids
2014/9/24
The theory of polarizable fluids is developed on the basis of a model fluid consisting of anisotropic Drude oscillators with embedded permanent dipoles. A matrix Monte Carlo method is used to simulate...