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Simple optimized Brenner potential for thermodynamic properties of diamond 期刊论文
Philosophical Magazine, 2012, 卷号: 92, 期号: 4, 页码: 500-515
Authors:  Liu F(刘峰);  Tang QH(汤奇恒);  Shang BS(尚宝双);  Wang TC(王自强)
Adobe PDF(945Kb)  |  Favorite  |  View/Download：922/321  |  Submit date：2012/12/04
Incorporating Interatomic Potentials  Quasi-continuum Method  Wall Carbon Nanotubes  Force-field  Fracture Nucleation  Thermal-expansion  Hydrocarbons  Energy  Equilibria  Simulation  Lattice Wave Theory  Thermodynamic Properties  Optimized Brenner Potential  Diamond  Finite Temperature