Point defects and grain boundary effects on tensile strength of 3C-SiC studied by molecular dynamics simulations
作者： Yingying Li , Yan Li , Wei Xiao
DOI: 10.1016/J.NET.2018.12.010
关键词:
摘要: Abstract The tensile strength of irradiated 3C-SiC, SiC with artificial point defects, symmetric tilt grain boundaries (GBs), GBs are investigated using molecular dynamics simulations at 300 K. For an sample, the decreases increase irradiation dose. Young's modulus dose which agrees well experiment and simulation data. designed defects dramatically decrease low concentration. Among studied in this work, vacancies drop most seriously. pure SiC. Under condition, strengths all samples converge to certain value because structures become amorphous disappear after high irradiation.
sci-hub.se 参考文章(56)
Mohd Idzat Idris, Hiroshi Konishi, Masamitsu Imai, Katsumi Yoshida, Toyohiko Yano, Neutron Irradiation Swelling of SiC and SiCf/SiC for Advanced Nuclear Applications Energy Procedia. ,vol. 71, pp. 328- 336 ,(2015) , 10.1016/J.EGYPRO.2014.11.886
Ju Li, Lisa Porter, Sidney Yip, Atomistic modeling of finite-temperature properties of crystalline β-SiC: II. Thermal conductivity and effects of point defects Journal of Nuclear Materials. ,vol. 255, pp. 139- 152 ,(1998) , 10.1016/S0022-3115(98)00034-8
Yingying Li, Wei Xiao, First principles study of the C/Si ratio effect on the ideal tensile strength of β-SiC Computational Materials Science. ,vol. 110, pp. 215- 220 ,(2015) , 10.1016/J.COMMATSCI.2015.08.016
Mickaël Trochet, Laurent Karim Béland, Jean-François Joly, Peter Brommer, Normand Mousseau, Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method Physical Review B. ,vol. 91, pp. 224106- ,(2015) , 10.1103/PHYSREVB.91.224106
WEON-JU KIM, DAEJONG KIM, JI YEON PARK, FABRICATION AND MATERIAL ISSUES FOR THE APPLICATION OF SiC COMPOSITES TO LWR FUEL CLADDING Nuclear Engineering and Technology. ,vol. 45, pp. 565- 572 ,(2013) , 10.5516/NET.07.2012.084
Yanwen Zhang, Manabu Ishimaru, Tamas Varga, Takuji Oda, Chris Hardiman, Haizhou Xue, Yutai Katoh, Steven Shannon, William J. Weber, Nanoscale engineering of radiation tolerant silicon carbide Physical Chemistry Chemical Physics. ,vol. 14, pp. 13429- 13436 ,(2012) , 10.1039/C2CP42342A
David E. Farrell, Noam Bernstein, Wing Kam Liu, Thermal effects in 10keV Si PKA cascades in 3C–SiC Journal of Nuclear Materials. ,vol. 385, pp. 572- 581 ,(2009) , 10.1016/J.JNUCMAT.2009.01.036
Enze Jin, Li-Sha Niu, Enqiang Lin, Xiaoxiong Song, Grain boundary effects on defect production and mechanical properties of irradiated nanocrystalline SiC Journal of Applied Physics. ,vol. 111, pp. 104322- ,(2012) , 10.1063/1.4723648
F. Gao, W. J. Weber, Cascade overlap and amorphization in 3C-SiC: Defect accumulation, topological features, and disordering Physical Review B. ,vol. 66, pp. 024106- ,(2002) , 10.1103/PHYSREVB.66.024106
Ting Cheng, James R. Keiser, Michael P. Brady, Kurt A. Terrani, Bruce A. Pint, Oxidation of fuel cladding candidate materials in steam environments at high temperature and pressure Journal of Nuclear Materials. ,vol. 427, pp. 396- 400 ,(2012) , 10.1016/J.JNUCMAT.2012.05.007