Praveenkumar Hiremath

4 Questions 6 Answers 0 Followers

Questions related from Praveenkumar Hiremath

How to find octahedral and tetrahedral sites?

Hello, I am trying to locate octahedral and tetrahedral positions in an atomic configuration (bicrystal/polycrystal - interface). I wonder if there is any tool available to locate these sites at...

30 August 2021 4,080 4 View

What are the tools to get Differential Displacement maps of screw dislocation core?

Hello Researchers, I am looking for tools to plot differential displacement (DD) maps of a screw dislocation core. Can someone list such tools for me? I came across "ddplot" tool, but having some...

11 December 2020 3,469 3 View

How to calculate Chemical potential of an element?

Hello I am new to molecular dynamics simulations. I am trying to calculate the chemical potential for iron and phosphorus to do some grand canonical monte carlo simulations. Please help me. Thank...

28 November 2019 6,560 3 View

What are the techniques to calculate impurity concentration in a metal?

Hello, Can anyone inform me on the techniques (other than semi grand canonical or grand canonical ensembles) that one can use to calculate the equilibrium impurity (say P) concentration in...

22 November 2019 5,370 3 View