20 citations · 33 across the 6 of their papers we have counts for
6 papers
Ab-initio tensile tests applied to BCC refractory alloys
Vishnu Raghuraman, Saro San, Michael C. Gao +1
Refractory metals exhibit high strength at high temperature, but often lack ductility. Multiprinciple element alloys such as high entropy alloys offer the potential to improve duct…
First principles residual resistivity using locally self-consistent multiple scattering method
Vishnu Raghuraman, Markus Eisenbach, Michael Widom +1
The locally self-consistent multiple scattering (LSMS) method can perform efficient first-principles calculations of systems with large number of atoms. In this work, we combine th…
Analysis of ab-initio total energies obtained by different DFT implementations
Vishnu Raghuraman, Yang Wang, Michael Widom
Ab-initio crystal structure prediction depends on accurate calculation of the energies of competing structures. Many DFT codes are available that utilize different approaches to so…
Nonlinear deformation and elasticity of BCC refractory metals and alloys
Vishnu Raghuraman, Michael Widom, Michael C. Gao
Application of isotropic pressure or uniaxial strain alters the elastic properties of materials; sufficiently large strains can drive structural transformations. Linear elasticity…
An investigation of high entropy alloy conductivity using first-principles calculations
Vishnu Raghuraman, Yang Wang, Michael Widom
The Kubo-Greenwood equation, in combination with the first-principles Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) can be used to calculate the DC residual res…
An averaged cluster approach to including chemical short range order in KKR-CPA
Vishnu Raghuraman, Yang Wang, Michael Widom
The single-site Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) ignores short range ordering present in disordered metallic systems. In this paper, we establish a…