1 code implementation • 9 May 2020 • Zhong-Li Liu, Xiu-Lu Zhang, Cuan-Cuan Zhu, Hai-Yan Wang
In this paper, we did a systematic comparative study on the accuracy of two computational methods of elastic constants combined with the density functional theory (DFT), the stress-strain method and the energy-strain method.
Materials Science
1 code implementation • 16 Feb 2020 • Zhong-Li Liu
We here present, the ElasTool package, an automated toolkit for calculating the second-order elastic constants (SOECs) of any two- (2D) and three-dimensional (3D) crystal systems.
Computational Physics
1 code implementation • 31 Jan 2020 • Zhong-Li Liu
Elastic constants and mechanical properties play a pivotal role across multiple disciplines and engineering applications.
Materials Science Computational Physics
