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Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers

机译:分子动力学系统的随机和动力学性质:简单的液体,等离子体和电解质,聚合物

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摘要

The concept of dynamical memory time t_m is discussed. The relation between t_m, fluctuation of energy △E and K-entropy (Lyapunov exponent) is treated. The meaning of t_m for real systems is related to the thermal and Langevin noise and quantum uncertainty. Relaxation of kinetic energy to equilibrium state was studied by MD for non-equilibrium strongly coupled plasmas. Violation of the microscopic reversibility principle in some enzymatic reactions is discussed.
机译:讨论了动态存储时间t_m的概念。处理了t_m,能量△E的波动和K熵(李雅普诺夫指数)之间的关系。对于实际系统,t_m的含义与热噪声和兰格文噪声以及量子不确定性有关。 MD研究了非平衡强耦合等离子体的动能松弛到平衡状态。讨论了在某些酶促反应中违反微观可逆性原理的问题。

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