68 citations · 206 across the 8 of their papers we have counts for
8 papers
Structure and charge transport of amorphous -doped : An ab initio study
Rajendra Thapa, Bishal Bhattarai, M. N. Kozicki +2
In this paper, we present ab initio computer models of Cu-doped amorphous Ta2O5 , a promising candidate for Conducting Bridge Random Access Memory (CBRAM) memory devices, and study…
Ab initio inversion of structure and the lattice dynamics of a metallic glass: The case of Pd40Ni40P20
Bishal Bhattarai, Rajendra Thapa, David A. Drabold
In this paper we infer the structure of Pd40Ni40P20 from experimental diffraction data and ab initio interactions using Force Enhanced Atomic Refinement (FEAR). Our model accuratel…
Quantifying Chemical Structure and Atomic Energies in Amorphous Silicon Networks
Noam Bernstein, Bishal Bhattarai, Gábor Csányi +3
Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show ho…
The critical pressure for microfiltration of oil-in-water emulsions using slotted-pore membranes
Tohid Darvishzadeh, Bishal Bhattarai, Nikolai V. Priezjev
The influence of geometrical parameters and fluid properties on the critical pressure of permeation of an oil micro-droplet into a slotted pore is studied numerically by solving th…
Evolution of amorphous carbon across densities: an inferential study
Bishal Bhattarai, Anup Pandey, D. A. Drabold
In this paper, we offer large and realistic models of amorphous carbon spanning densities from 0.95 g/cm3 to 3.5 g/cm3 . The models are designed to agree as closely as possible wit…
Wetting properties of structured interfaces composed of surface-attached spherical nanoparticles
Bishal Bhattarai, Nikolai V. Priezjev
The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The su…
Refining glass structure in two dimensions
Mahdi Sadjadi, Bishal Bhattarai, D. A. Drabold +2
Recently determined atomistic scale structures of near-two dimensional bilayers of vitreous silica (using scanning probe and electron microscopy) allow us to refine the experimenta…
Realistic inversion of diffraction data for an amorphous solid: the case of amorphous silicon
Anup Pandey, Parthapratim Biswas, Bishal Bhattarai +1
We apply a new method "force enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a-Si), based upon the highly precise X-ray diffraction experiments…