Materials Engineering Professor Mohsen Kivy Publishes Tool

Kivy research paper

Mohsen Kivy and a team of researchers from Cal Poly and Purdue University published “Random and Special Quasirandom Structure Generator” on Nanohub.

Mohsen Kivy

Kivy worked with Shivam Tripathi, Rileigh Anne Cotter, Sabir Utamsing, Md, Mahbubul Islam, and Alejandro Strachan.

About

This tool has been developed to generate the random and special quasi-random structure (SQS) for body-centered cubic (BCC) and face-centered cubic (FCC) systems using mcsqs algorithm in alloy theoretical automated toolkit (ATAT) package. The results yielded come in POSCAR and LAMMPS data file. One can change between the two filed and download the generated structure. This is a handy tool to generate structures for multicomponent systems such as high entropy alloys (HEAs).

Read more here.

Share

Coronavirus Update and Resources