分子动力学法对Cu-Ag合金熔化及凝固过程的模拟  

MOLECULAR DYNAMIC SIMULATION OF MELTING AND SOLIDIFICATION IN BINARY LIQUID METAL: Cu-Ag

作　　者：戚力[1] 张海峰[1] 胡壮麒[1] 

机构地区：[1]中国科学院金属研究所沈阳材料科学国家(联合)实验室,沈阳110016

出　　处：《金属学报》2004年第7期736-740,共5页Acta Metallurgica Sinica

基　　金：国家高技术研究发展规划项目2001AA331010;国家重点基础研究发展规划项目G2000067201资助

摘　　要：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台金在不同的冷却速率(1×1011,1×1012,5×1012,1×1013。及1×1014 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.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 (1 X 10(11), 1 X 10(12), 5 x 10(12), I X 10(13) and 1 X 10(14) K/s). 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.

关 键 词：Cu40Ag60合金 镶嵌原子势 分子动力学 非晶形成能力 微观结构 

分 类 号：TG139.8[一般工业技术—材料科学与工程]