19 citations · 35 across the 6 of their papers we have counts for
6 papers
Dislocations as natural quantum wires in Diamond
Sevim Polat Genlik, Roberto C. Myers, Maryam Ghazisaeidi
We study the electronic properties of the glide set of dislocations in diamond from first principles using hybrid exchange correlation functionals and find that the atomic-scale di…
Efficient determination of solid-state phase equilibrium with the Mutli-Cell Monte Carlo method
Edwin Antillon, Maryam Ghazisaeidi
Building on our previously introduced Multi-cell Monte Carlo (MC)^2 method for modeling phase coexistence, this paper provides important improvements for efficient determination of…
Multi-Cell Monte Carlo Method for Phase Prediction
Changning Niu, You Rao, Wolfgang Windl +1
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via t…
Interaction of oxygen interstitials with lattice faults in Ti
M. Ghazisaeidi, D. R. Trinkle
Oxygen greatly affects the mechanical properties of titanium. In addition, dislocations and twin boundaries influence the plastics deformation of hcp metals. As part of a systemati…
Lattice Green's function for crystals containing a planar interface
M. Ghazisaeidi, D. R. Trinkle
Flexible boundary condition methods couple an isolated defect to a harmonically responding medium through the bulk lattice Green's function; in the case of an interface, interfacia…
Convergence rate for numerical computation of the lattice Green's function
M. Ghazisaeidi, D. R. Trinkle
Flexible boundary condition methods couple an isolated defect to bulk through the bulk lattice Green's function. The inversion of the force-constant matrix for the lattice Green's…