Are surfaces elastically softer or stiffer?
Are surfaces elastically softer or stiffer?
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DOI：
10.1063/1.1682698
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发表时间：
2004-03-15
影响因子：
4
通讯作者：
Huang, HC
中科院分区：
文献类型：
--
作者：
Zhou, LG;Huang, HC
这封信解决了弹性变形过程中表面软化与硬化的问题。使用分子静力学和从头计算相结合，我们表明，固体表面可以是软或硬的弹性比相应的散装。一个特定的表面是更软还是更硬取决于表面上原子配位和电子再分布（有时称为键饱和）之间的竞争。以Cu为例，我们发现在{100}面上，其沿着方向的杨氏模量大于体相材料，而在{100}面上，其沿沿着方向的杨氏模量小于体相材料。(C)2004年，美国物理学会。
This letter addresses the issue of surface softening versus stiffening during elastic deformation. Using a combination of molecular statics and ab initio calculations, we show that a solid surface can be either softer or stiffer elastically than the corresponding bulk. Whether a particular surface is softer or stiffer depends on the competition between atomic coordination and electron redistribution (which sometimes is referred as bond saturation) on the surface. Taking Cu as an example, we demonstrate that the Young's modulus along direction on {100} surface is larger than its bulk counterpart; meanwhile, it is smaller along direction on {100} surface. (C) 2004 American Institute of Physics.