Maranganti R, Sharma P
Department of Mechanical Engineering, University of Houston, Houston, TX 77204, USA.
Phys Rev Lett. 2007 May 11;98(19):195504. doi: 10.1103/PhysRevLett.98.195504. Epub 2007 May 9.
At what characteristic length scale does classical continuum elasticity cease to accurately describe small deformation mechanical behavior? The two dominant physical mechanisms that lead to size dependency of elastic behavior at the nanoscale are surface energy effects and nonlocal interactions. The latter arises due to the discrete structure of matter and the fluctuations in the interatomic forces that are smeared out within the phenomenological elastic modulus at coarser sizes. While surface energy effects have been well characterized in the literature, little is known about the length scales at which nonlocal effects manifest for different materials. Using a combination of empirical molecular dynamics and lattice dynamics (empirical and ab initio), we provide estimates of nonlocal elasticity length scales for various classes of materials: semiconductors, metals, amorphous solids, and polymers.
在何种特征长度尺度下,经典连续介质弹性理论不再能准确描述小变形力学行为?导致纳米尺度下弹性行为尺寸依赖性的两个主要物理机制是表面能效应和非局部相互作用。后者源于物质的离散结构以及原子间力的波动,这些波动在较大尺寸的唯象弹性模量中被抹平。虽然表面能效应在文献中已有很好的描述,但对于不同材料非局部效应表现出来的长度尺度却知之甚少。通过结合经验分子动力学和晶格动力学(经验方法和第一性原理方法),我们给出了各类材料的非局部弹性长度尺度的估计值:半导体、金属、非晶固体和聚合物。