Lammps中基于Green-Kubo方程计算黏度的两种方案所得结果的对比  

Comparison of Results Obtained by Two Schemes for Calculating Viscosity with Lammps Based on the Green-Kubo Equation

作　　者：权国强 白世玉 林佳玮 赵兴宇 Quan Guoqiang;Bai Shiyu;Lin Jiawei;Zhao Xingyu(Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matters,College of Physical Science and Technology,Yili Normal University,Xinjiang,835000)

机构地区：[1]伊犁师范大学物理科学与技术学院新疆凝聚态相变与微结构实验室,新疆835000

出　　处：《当代化工研究》2025年第5期63-65,共3页Modern Chemical Research

基　　金：伊犁师范大学提升学科综合实力专项项目“典型小分子液体微观结构的研究”(项目编号:22XKZY27)。

摘　　要：为了实现纳米流体等复合材料中不同原子黏度的分别计算,借助Cu-Ar纳米流体和Al-Ar纳米流体对Lammps中基于Green-Kubo方程实现黏度计算的两种方案进行了验证。结果表明加入纳米颗粒后体系的黏度要明显大于纯基液的黏度,随着纳米颗粒数量的增加,纳米流体的黏度都增大,而且两种方案所得的结果是一致的,表明借助“compute stress/atom”命令实现黏度的计算是可行的。这些结果可以为纳米流体等复合材料中不同粒子黏度的分别计算提供参考。In order to realize calculations of different atomic viscosity in composites such as nanofluids,two schemes for calculating viscosity with Lammps based on the Green-Kubo equation are verified by Cu-Ar nanofluids and Al-Ar nanofluids.The results show the viscosity of nanofluids is significantly greater than that of the base fluid,and the viscosity of the nanofluids goes up with increasing number of nanoparticles.The values of viscosity gained by the two programs are consistent,stating that it’s possible to calculate viscosity by the"compute stress/atom"command.The results could provide reference for calculating viscosity of different particles in composite materials such as nanofluids.

关 键 词：Lammps Green-Kubo方程 黏度 纳米流体 

分 类 号：TK124[动力工程及工程热物理—工程热物理]