zrfbuaa的个人博客分享 http://blog.sciencenet.cn/u/zrfbuaa

博文

AELAS Calculator: 高通量第一原理弹性自动求解程序

已有 4836 次阅读 2017-6-10 19:22 |系统分类:论文交流

AELAS: Automatic ELAStic property derivations via high-throughput first-principlescomputation.


Overview of AELAS

AELAS is an efficient open source command-line program for Automatic derivation of ELAStic properties via high-throughput first principles computations. It is designed by Dr. S. H. Zhang and Prof. R. F. Zhang at Beihang University.


The program has implemented the following functionalities:

  • Four filters to avoid the abnormal distortion,

  • The standardized unit cell (IEEE-format)

  • The elastic constants of any crystal system for 3D materials

  • The elastic constants of any crystal system for 2D materials

  • The polycrystal elastic moduli in Voigt, Reuss and Hill average

  • The ductility-brittleness transition, Pugh ratio

  • The Cauchy pressure Pc

  • The elastic stability criterion

  • In-plane Young’s (Ex and Ey) and shear (Gxy) moduli of 2D materials

  • In-plane Poisson’s ratios (νxy and νyx) of 2D materials

  • etc.

Link: https://sites.google.com/site/zrfbuaa/softwares/aelas


RegForm for AELAS.doc

AELAS-1.0.0.tar.gz

userguide.pdf





https://blog.sciencenet.cn/blog-3276830-1060059.html

上一篇:Atomistic Analyzer: AACSD 晶体缺陷和晶粒取向的分析程序
下一篇:ADAIS Calculator: 高通量第一原理强度自动求解程序
收藏 IP: 106.39.42.*| 热度|

0

该博文允许注册用户评论 请点击登录 评论 (1 个评论)

数据加载中...
扫一扫,分享此博文

Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2024-7-18 04:50

Powered by ScienceNet.cn

Copyright © 2007- 中国科学报社

返回顶部