Chin. Phys. Lett.  2013, Vol. 30 Issue (9): 096106    DOI: 10.1088/0256-307X/30/9/096106
CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
Influence of Temperature and Stress on Near-Surface Cascades in Alpha-Zirconium Revealed by Molecular Dynamics Simulation
WU Tian-Yu, PENG Meng-Meng, LUO Xiao-Feng, LAI Wen-Sheng**
Laboratory of Advanced Materials, School of Material Science and Engineering, Tsinghua University, Beijing 100084
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WU Tian-Yu, PENG Meng-Meng, LUO Xiao-Feng et al  2013 Chin. Phys. Lett. 30 096106
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Abstract Molecular dynamics simulations are used to study cascades near the surface in hcp Zr. The influences of several factors, namely the primary knock-on atom (PKA) in different layers, angle of incidence, temperature and stress, on the number and type of defects are considered. Compared to bulk cascades, near-surface cascades show different characteristics in defect type and quantity when the PKA is in different layers. Low angle incidences create surface sputtering while the effects of high angle incidences are similar to those of bulk cascades. The effect of temperature is mainly focused on the number of sputtered atoms, with little influence on the total number of surviving defects. Stress helps to create more defects and the influence of compressive stress is more prominent than tensile stress.
Received: 14 June 2013      Published: 21 November 2013
PACS:  61.80.-x (Physical radiation effects, radiation damage)  
  31.15.xv (Molecular dynamics and other numerical methods)  
  34.20.Cf (Interatomic potentials and forces)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/30/9/096106       OR      https://cpl.iphy.ac.cn/Y2013/V30/I9/096106
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WU Tian-Yu
PENG Meng-Meng
LUO Xiao-Feng
LAI Wen-Sheng
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