铁基非晶合金非晶形成能力的分子动力学模拟  

Amorphous Forming Ability of Fe-based Alloy by Molecular Dynamics Simulation

作　　者：张光磊[1] 赵媛媛[1] 付华[1] 冯文杰[2] 

机构地区：[1]石家庄铁道大学材料科学与工程学院,河北石家庄050043 [2]石家庄铁道大学工程力学系,河北石家庄050043

出　　处：《石家庄铁道大学学报（自然科学版）》2014年第3期29-32,共4页Journal of Shijiazhuang Tiedao University(Natural Science Edition)

基　　金：国家自然科学基金(11272223)

摘　　要：采用分子动力学方法,模拟了Fe60Cr20Mo20和Fe50Cr20Mo20M10(M=Ni,W)铁基非晶合金的形成过程,通过加热至熔融态再淬火的方法计算出了了Fe60Cr20Mo20、Fe50Cr20Mo20M10和Fe50Cr20Mo20W10三种合金形成非晶的临界冷速及一系列热力学参数。结果表明,三种合金形成非晶的临界冷速分别为15.7 K/ps、3.62 K/ps和1.04 K/ps,四元合金较三元合金形成非晶所需的临界冷速大大降低,而W元素的添加更能提高合金的非晶形成能力。另外,通过热力学参数分析,Fe50Cr20Mo20W10合金的约化玻璃转变温度Trg较大为0.626,也说明其具有较好的非晶形成能力。The amorphous formation process of Fe 60 Cr20 Mo20 and Fe50 Cr20 Mo20 M10 （ M=Ni,W） alloys is simulated by molecular dynamic method in this paper .The critical cooling rate of forming to amorphous alloys and a series of thermodynamic parameters of these three kinds of alloys are calculated by the method of heating and quenching .Results show that the critical cooling rate of forming to amorphous alloys of these three kinds of alloys are 15.7 K/ps, 3.62 K/ps and 1.04 K/ps, respectively.The quarternary alloys have lower critical cool-ing rates of forming to amorphous alloys than the ternary alloys .The addition of W element can improve the a-morphous formation ability greatly . In addition , by the analysis of the thermodynamic parameters , Fe50Cr20Mo20W10 alloy has a higher reduced glass transition temperature than the other two kinds of alloys , which shows a better amorphous forming ability .

关 键 词：分子动力学 非晶合金 临界冷速 热力学参数 

分 类 号：TG111.4[金属学及工艺—物理冶金]