铁基非晶合金非晶形成能力的分子动力学模拟

采用分子动力学方法，模拟了Fe60 Cr20 Mo20和Fe50 Cr20 Mo20 M10（ 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Fe60 Cr20 Mo20、Fe50 Cr20 Mo20 M10和Fe50 Cr20 Mo20 W10三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，Fe50 Cr20 Mo20 W10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。

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

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 .