Atomic-scale interaction of a crack and an infiltrating fluid

被引：2
|
作者：
Jones R.E. [1 ]
Tucker W.C. [1 ]
Rimsza J.M. [2 ]
Criscenti L.J. [2 ]
机构：
[1] Sandia National Laboratories, P.O. Box 969, Livermore, 94551, CA
[2] Sandia National Laboratories, P.O. Box 5800, Albuquerque, 87185, NM
来源：
Chemical Physics Letters: X | 2019年 / 1卷
关键词：
25;
D O I：
10.1016/j.cpletx.2018.100005
中图分类号：
学科分类号：
摘要：
In this work we investigate the Orowan hypothesis, that decreases in surface energy due to surface adsorbates lead directly to lowered fracture toughness, at an atomic/molecular level. We employ a Lennard-Jones system with a slit crack and an infiltrating fluid, nominally with gold-water properties, and explore steric effects by varying the soft radius of fluid particles and the influence of surface energy/hydrophobicity via the solid–fluid binding energy. Using previously developed methods, we employ the J-integral to quantify the sensitivity of fracture toughness to the influence of the fluid on the crack tip, and exploit dimensionless scaling to discover universal trends in behavior. © 2018
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