Nanoindentation of ZrO2 and ZrO2/Zr systems by molecular dynamics simulation

被引：18
|
作者：
Lu, Zizhe [1 ]
Chernatynskiy, Aleksandr [1 ,2 ]
Noordhoek, Mark J. [1 ,3 ]
Sinnott, Susan B. [1 ,4 ]
Phillpot, Simon R. [1 ]
机构：
[1] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA
[2] Missouri Univ Sci & Technol, Dept Phys, Rolla, MO USA
[3] Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA
[4] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA
来源：
JOURNAL OF NUCLEAR MATERIALS | 2017年 / 486卷
基金：
美国国家科学基金会;
关键词：
YTTRIA-STABILIZED ZIRCONIA; TEMPERATURE PHASE-DIAGRAM; PLASTIC-DEFORMATION; ELECTRON-DIFFRACTION; DEFECT STRUCTURE; SINGLE-CRYSTALS; INTERATOMIC POTENTIALS; DISLOCATION NUCLEATION; ROOM-TEMPERATURE; FUEL;
D O I：
10.1016/j.jnucmat.2017.01.022
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The deformation behaviors of cubic zirconia and a cubic zirconia thin film on top of an hcp zirconium substrate are investigated using molecular dynamics nanoindentation simulation. Interatomic interactions are described by the previously developed Charge Optimized Many Body (COMB) potential for the Zr-ZrO2-O-2 system. The load-displacement curves, deformation processes and hardnesses of zirconia and the zirconia/zirconium systems are characterized. In addition, by comparing with a previous nanoindentation simulation on zirconium, the effects of the zirconia layer on top on the mechanical properties of the zirconium substrate are determined.(C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码：250 / 266
页数：17
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