借助镶嵌原子势(EAM)利用等压等温的分子动力学方法(NPT--MD)模拟共晶Cu40Ag60合金的熔化、凝固过程. 利用径向分布函数和对分析技术研究Cu40Ag60合金在不同的冷却速率(1X10{11}, 1X10^{12}, 5X10{12}, 1X10{13} 及 1X10{14} K/s)下的非晶形成能力和微观结构演化. 研究发现Cu40Ag60合金形成非晶态需要极大的冷却速率. 模拟中的结构分析揭示了合金在冷却过程中微观结构的演化规律.
Based on the embedded--atom method, a constant--pressure, constant--temperature (NPT) molecular dynamics (MD) technique is applied to obtain an atomic description of glass formation process in eutectic Cu40Ag60 alloy. By using radial distribution function (RDF) and pair analysis (PA) methods, the structure and glass forming ability of this alloy is studied by quenching from the liquid at different cooling rates. It is observed that the retention of amorphous structure requires extremely high cooling rates. Structure analyses of the alloys in the simulations reveal the evolvement of the different clusters at various quenching rates.
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