A STUDY ON STATISTICAL METHOD IN MOLECULAR DYNAMICS SIMULATION

机译：分子动力学模拟中的统计方法研究

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

The focus of the present paper is placed on the study of the statistical method in molecular dynamics simulation, Based on fractal theory a hypothesis is proposed by the present authors. It is asserted that the behavior of the random motion of molecules can be described by fractional Brownian functions, and the dimensionality of the fractional Brownian motion is determined by the image of the motion of particles. The image may be obtained either by molecular dynamics simulation or directly by experimental observation. Example is provided by using CH4 as the working substance to do the molecular dynamics simulation with L-J 12-6 potential function. Based on the simulation results the fractional dimensionality was determined, and the corresponding fractional Brownian function acting as the probability density function of the random motion of particles was constructed. A detailed demonstration was provided to verify the validity of the hypothesis.

机译：本文的重点是对分子动力学模拟中的统计方法研究的研究，基于分形理论，本作者提出了假设。据称，分子随机运动的行为可以由分数褐色函数描述，并且分数褐色运动的维度由粒子的运动的图像确定。图像可以通过分子动力学模拟或直接通过实验观察获得。通过使用CH 4作为工作物质提供了用L-J 12-6潜在功能进行实质的实施例。基于仿真结果，确定了分数维度，并且构建了作为颗粒随机运动的概率密度函数的相应的分数褐色函数。提供了详细的示范，以验证假设的有效性。

著录项

来源
《International Symposium on Heat Transfer Enhancement and Energy Conservation》|2004年||共7页
会议地点
作者
Zeng Danling; Liu Juanfang; Liu Chao; Zhang Xinmin;
展开▼
作者单位

展开▼
会议组织
原文格式 PDF
正文语种
中图分类传热学;
关键词

相似文献

外文文献
中文文献
专利

1. Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method [J] . Takayoshi lshimoto, Hiroaki Tokiwa, Hiroyuki Teramae, The Journal of Chemical Physics . 2005,第9期

机译：片段分子轨道-哈密顿算法在寡肽动力学模拟中分子内相互作用能的理论研究
2. Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method [J] . Ishimoto T, Tokiwa H, Teramae H, The Journal of Chemical Physics . 2005,第9期

机译：片段分子轨道-哈密顿算法在寡肽动力学模拟中分子内相互作用能的理论研究
3. Complete virus capsid at all-atom resolution: Simulations using molecular dynamics and hybrid molecular dynamics/hydrodynamics methods reveal semipermeable membrane function [J] . Elvira Tarasova, Ivan Korotkin, Vladimir Farafonov, Journal of Molecular Liquids . 2017,第期

机译：全原子分辨率的完全病毒衣壳：使用分子动力学和混合分子动力学/流体动力学方法的模拟显示半透膜功能
4. A STUDY ON STATISTICAL METHOD IN MOLECULAR DYNAMICS SIMULATION [C] . Zeng Danling, Liu Juanfang, Liu Chao, International Symposium on Heat Transfer Enhancement and Energy Conservation(ISHTEEC) vol.2; 20040112-15; Guangzhou(CN) . 2004

机译：分子动力学模拟中的统计方法研究
5. Discerning protein similarities and folding dynamics through methods in statistical physics and molecular dynamics simulations. [D] . Sardiu, Mihaela E. 2005

机译：通过统计物理和分子动力学模拟中的方法识别蛋白质相似性和折叠动力学。
6. Perspectives on: Molecular dynamics and computational methods: Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations [O] . Ron O. Dror, Morten Ø. Jensen, David W. Borhani, 2010

机译：关于以下方面的观点：分子动力学和计算方法：使用分子动力学模拟研究飞秒到毫秒级的原子分辨率生理学
7. Complete virus capsid at all-atom resolution:simulations using molecular dynamics and hybrid molecular dynamics/hydrodynamics methods reveal semipermeable membrane function [O] . Tarasova, Elvira, Korotkin, Ivan, Farafonov, Volodymyr, 2017

机译：在所有原子分辨率下完整的病毒衣壳：使用分子动力学和混合分子动力学/流体动力学方法进行的模拟揭示了半透膜功能

A STUDY ON STATISTICAL METHOD IN MOLECULAR DYNAMICS SIMULATION

摘要

著录项

相似文献

相关主题

期刊订阅