24小时热门版块排行榜

>论坛更新日志 (3959)
>导师招生 (720)
>论文投稿 (397)
>休闲灌水 (218)
>硕博家园 (217)
>文献求助 (162)
>考博 (138)
>新药研发 (98)
>虫友互识 (92)
>学术会议 (86)
>公派出国 (84)
>考研 (71)
>基金申请 (68)
>论文道贺祈福 (52)
>博后之家 (46)
>教师之家 (46)

返回列表

当前主题已经存档。

monicajing

铜虫 (小有名气)

应助: 0 (幼儿园)
金币: 1043
帖子: 155
在线: 31.9小时
虫号: 601954
注册: 2008-09-13
专业: 金属非晶态、准晶和纳米晶

[交流] 有关非晶分子动力学模拟文献

J. Appl. Phys. 105, 064913 (2009)
Simulation of reduced glass transition temperature of Cu–Zr alloys by molecular dynamics

Su-Wen Kao,1 Chi-Chuan Hwang,2 and Tsung-Shune Chin1,3
1Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan, Republic of China
2Department of Engineering Sciences, National Cheng Kung University, Tainan 70101, Taiwan, Republic of China
3Department of Materials Science and Engineering, Feng Chia University, Taichung 40724, Taiwan, Republic of China

Estimation of glass forming ability (GFA) of alloys by simulation before experimental trial and errors has long been a tempting pursuit in exploration of bulk metallic glasses. Reduced glass transition temperature (Trg) of CuxZr100−x alloys (x=46, 50, 62) were simulated by molecular dynamics using tight-binding potentials. Glass transition temperature (Tg) and melting temperature (Tm) of each alloy were calculated separately to obtain Trg (=Tg/Tm) as an indicator of GFA. It is shown that the calculated Tg and Trg values of CuxZr100−x alloys are in agreement with experimental data within 2%–8%, and 5%–11%, respectively. Simulation as such provides a possibility to preliminarily sort out alloys worthy of experimental trials. ©2009 American Institute of Physics

回复此楼