Atomistic‐scale investigation of effective stress principle of saturated porous materials by molecular dynamics
Atomistic‐scale investigation of effective stress principle of saturated porous materials by molecular dynamics
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DOI：
10.1002/2016gl070101
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发表时间：
2016-10
影响因子：
5.2
通讯作者：
Chaohai Zhang;Zhen Liu;P. Deng
中科院分区：
文献类型：
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作者：
Chaohai Zhang;Zhen Liu;P. Deng
有效应力原理是多孔材料力学中最基本的概念之一。针对这一基本原理，人们提出了几种数学表达式，引发了关于该原理及其数学描述的有效性和适用性的争论。原子建模技术的最新发展使得在原子尺度上理解多相系统成为可能。在本文中，分子动力学模拟被探索作为研究多孔材料中应力公式的工具。提出了分子动力学框架，包括相的分子模型、原子间势、初始构型和模拟程序。基于该框架的数值模拟初步证明了有效应力原理在原子尺度上的有效性。此外，还研究了该原理的典型表达式的有效性。
The effective stress principle is one of the most fundamental concepts in the mechanics of porous materials. Several mathematical expressions have been proposed for this fundamental principle, leading to unsettled debates on the validity and applicability of the principle and its mathematical descriptions. Recent developments in atomistic modeling techniques make it possible to understand multiphase systems at the atomistic scale. In this paper, molecular dynamics simulation is explored as a tool to investigate the stress formulation in porous materials. A molecular dynamics framework, including molecular models of phases, interatomic potentials, initial configuration, and simulation procedure, is presented. Numerical simulations based on the framework preliminarily show the validity of the effective stress principle at the atomistic scale. Furthermore, the effectiveness of typical expressions for the principle is investigated.