Statistical mechanical theory for steady state systems.IV.Transition probability and simulation algorithm demonstrated for heat flow

Phil Attard

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Statistical mechanical theory for steady state systems.IV.Transition probability and simulation algorithm demonstrated for heat flow

机译：稳态系统的统计力学理论IV。热流转移概率和仿真算法

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Two microscopic transition theorems are given for the probability of nonequilibrium work performed on a subsystem of a thermal reservoir along the trajectory in phase space of the subsystem.The resultant transition probability is applied to the case of heat flow down an applied temperature gradient.A combined molecular dynamics and Monte Carlo algorithm is given for such a nonequilibrium steady state.Results obtained for the thermal conductivity are in good agreement with previous Green-Kubo and nonequilibrium molecular dynamics results.

机译：给出了两个微观跃迁定理，用于对热库的子系统沿子系统相空间中的轨迹进行不平衡功的概率，将所得的跃迁概率应用于热流沿施加的温度梯度下降的情况。给出了这种非平衡稳态的分子动力学和蒙特卡罗算法。导热系数的计算结果与以前的Green-Kubo和非平衡分子动力学结果吻合良好。

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《The Journal of Chemical Physics》 |2006年第2期|共11页
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Phil Attard;
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1. Statistical mechanical theory for steady state systems.IV.Transition probability and simulation algorithm demonstrated for heat flow [J] . Phil Attard The Journal of Chemical Physics . 2006,第2期

机译：稳态系统的统计力学理论IV。热流转移概率和仿真算法
2. Statistical mechanical theory for steady-state systems. III. Heat flow in a Lennard-Jones fluid - art. no. 244105 [J] . Attard P The Journal of Chemical Physics . 2005,第24期

机译：稳态系统的统计力学理论。三， Lennard-Jones流体中的热流-艺术没有。 244105
3. Statistical mechanical theory for steady-state systems.III.Heat flow in a Lennard-Jones fluid [J] . Phil Attard The Journal of Chemical Physics . 2005,第24期

机译：稳态系统的统计力学理论III。Lennard-Jones流体中的热流
4. Numerical Algorithm for Simulation of Coupled Heat-Mass Transfer and Chemical Reaction in Two-Phase Steady Flow [C] . I.B.Bazhlekov, M.G.Koleva, D.P.Vasileva International workshop on numerical analysis and its applications . 1997

机译：两相稳步流动耦合热传质耦合热传质和化学反应的数值算法
5. Numerical simulations of steady low-Reynolds-number flows and enhanced heat transfer in wavy plate-fin passages. [D] . Zhang, Jiehai. 2005

机译：波浪状翅片通道内稳定的低雷诺数流动和增强的传热的数值模拟。
6. Matrix Product State Simulations of Non-Equilibrium Steady States and Transient Heat Flows in the Two-Bath Spin-Boson Model at Finite Temperatures [O] . Angus J. Dunnett, Alex W. Chin 2021

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7. An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows [O] . Edwards BJ, Baig C, Keffer DJ 2015

机译：非平衡分子动力学模拟算法对任意稳态流动有效性的检验
8. Probability and Statistics Applied to the Theory of Algorithms [R] . Steele, J. M. 1995

机译：概率统计应用于算法理论

Statistical mechanical theory for steady state systems.IV.Transition probability and simulation algorithm demonstrated for heat flow

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