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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
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