3 papers
physics.chem-ph2025
A direct approach to computing the non-interacting kinetic energy functional
Dharamveer Kumar, Amuthan A. Ramabathiran
The non-interacting kinetic energy functional, , plays a fundamental role in Density Functional Theory (DFT), but its explicit form remains unknown for arbitrary -re…
math-ph2025
Analysis of quasi-planar defects using the Thomas--Fermi--von Weizsäcker model
Dharamveer Kumar, Amuthan A. Ramabathiran
We analyze the convergence of the electron density and relative energy with respect to a perfect crystal of a class of volume defects that are compactly contained along one directi…
cond-mat.mtrl-sci2025
Size-Dependent Power Laws for Edge Dislocations in Nickel Superalloys: A Molecular Dynamics Study
Divyeshkumar A. Mistry, Amuthan A. Ramabathiran
We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the…