A molecular dynamics study on melting point and specific heat of Ni_3Al alloy

作     者：YANG Hong,Lü YongJun,CHEN Min & GUO ZengYuan Department of Engineering Mechanics,Tsinghua University,Beijing 100084,China 

作者机构：Department of Engineering Mechanics Tsinghua University Beijing China 

出 版 物：《Science China(Physics,Mechanics & Astronomy)》 (中国科学：物理学、力学、天文学（英文版）)

年 卷 期：2007年第50卷第4期

页      面：407-413页

核心收录：

学科分类：080701[工学-工程热物理] 08[工学] 0807[工学-动力工程及工程热物理] 

基　　金：the National Natural Science Foundation of China (Grant No. 50395101) 

主　　题：Ni3Al alloy undercooled melting point specific heat 

摘      要：Using the Embedding Atom Method(EAM)for highly undercooled Ni3Al alloy,the melting point and the specific heat were studied by a molecular dynamics *** simulation of melting point was carried out by means of the sandwich method and the NVE ensemble method,and the results show a good agreement,whereas are larger than the experimental value of 1663 *** difference is attrib-uted to the influence of surface melting on experimental results,which causes the smaller measurements compared with the thermodynamic melting *** simulated specific heat of Ni3Al alloy weakly and linearly increases with the in-crease of undercooling in the temperature range from 800 K to 2000 K.