Afshin Arjhangmehr

4 Questions 9 Answers 0 Followers

Questions related from Afshin Arjhangmehr

Please share your experience with Lammpsfe?

Hi, Has anyone used lammpsfe (https://www.scifes.com/index.php/product) to prepare LAMMPS input files? I will be happy to hear about your thoughts and experiences.

11 November 2017 5,599 0 View

Fitting DFT calculated parameters in an EAM/alloy format?

Dear all, I have calculated necessary parameters including elastic constants, specific heat, equilibrium lattice constants, cohesive energies, migration and formation energies of defects and ......

11 November 2016 5,908 6 View

DFT calculations of defect properties using Quantum Espresso?

Deal all, I want to calculate defect properties (i.e. formation energies and migration barriers, ...) in vanadium using DFT- Quantum Espresso, and I am wondering which of the available...

05 May 2016 9,306 4 View

Can anyone introduce me a software to identify various defect structures such as SFTs in crystalline materials?

I need to identify various defect structures produced during irradiation in MD simulations. I will appreciate if anyone can introduce me a software to do such a task.

04 April 2016 2,276 3 View