MOLECULAR DYNAMICS SIMULATION FOR IDEAL STRENGTH AND ELASTIC MODULUS OF SiC ASSOCIATED WITH TEMPERATURE AND VACANCY DEFECTS

摘要：

Tersoff potential function is applied to simulate the ideal strength and elastic constants of ideal SiC crystals and SiC crystals with vacancies in different temperatures by molecular dynamics.The simple tensile model has been adopted and the total systematic energy has been calculated under different temperatures.Nilsen-Martin equation has been used to calculate the mechanical parameters and the ideal strength has been determined.The results show that the vacancy defects and temperature will cause the negative exponential reduction of SiC strength.The elastic modulus decreases quasi-linearly with the rise of temperature and vacancy.

关键词： Molecular dynamics Ideal strength Vacancy defect High temperature

作者: C.Wang J.Liang Y.Liu X.Luan

作者单位: Center for Composite Materials and Structure,Harbin Istitute of Technology,Harbin,Heilongjiang 15000 Center for Composite Materials and Structure,Harbin Institute of Technology,Harbin,Heilongjiang 1500 Center for Composite Materials and Structure,HarbinInstitute of Technology,Harbin,Heilongjiang 15000

会议类型: 国际会议

会议名称: 第二届国际非均质材料力学会议(The Second International Conference on Heterogeneous Material Mechanics)

会议地点: 安徽黄山

会议语种:英文

页码: 55-58

在线出版日期: 2008-06-03（万方平台首次上网日期，不代表论文的发表时间）