首页> 美国政府科技报告 >Beitraege zur Nichtgleichgewichts Molekulardynamik Computersimulation vonTransportprozessen in Einfachen Fluiden (Contributions to the Non Equilibrium Molecular Dynamics (NEMD) Computer Simulation for Transport Processes in Simple Fluids)
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Beitraege zur Nichtgleichgewichts Molekulardynamik Computersimulation vonTransportprozessen in Einfachen Fluiden (Contributions to the Non Equilibrium Molecular Dynamics (NEMD) Computer Simulation for Transport Processes in Simple Fluids)

机译:Beitraege zur Nichtgleichgewichts molekulardynamik Computersimulation vonTransportprozessen in Einfachen Fluiden(对简单流体中输送过程的非平衡分子动力学(NEmD)计算机模拟的贡献)

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Stationary transport processes far away from thermal equilibrium, which areobserved in the simulation variation of the Newton and Fourier linear transport laws, are of particular interest. The results represented concern NEMD methodic questions, as well as the theoretical description of the nonlinear transport phenomena. A detailed comparison is conducted between the predictions of the Boltzmann equation and the simulation results, for determining the viscosity coefficient. An algorithm which generates heat flow in the absence of a temperature gradient is analyzed. The results of the velocity distribution function legitimate the utilization of the efficient algorithm for examining the linear energy transport. The application of continuum theoretical methods is emphasized for describing the phenomena observed in the simulation with some hundreds of particles.

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