128 citations · 266 across the 8 of their papers we have counts for
9 papers
Ab initio Molecular Dynamics Simulation of Threshold Displacement Energies and Defect Formation Energies in Y4Zr3O12
Sruthi Mohan, Gurpreet Kaur, C. David +2
Ab initio molecular dynamics simulations using VASP was employed to calculate threshold displacement energies and defect formation energies of Y4Zr3O12 δ-phase, which is the most c…
Effect of Zr and Al Addition on Nanocluster Formation in Oxide Dispersion Strenghthened Steel-an ab initio Study
Sruthi Mohan, Gurpreet Kaur, B. K. Panigrahi +2
Conventional Oxide dispersion strengthened steels are characterized by thermally stable, high density of Y-Ti-O nanoclusters, which are responsible for their high creep strength. T…
Delineating the role of ripples on thermal expansion of honeycomb materials:graphene, 2D-h-BN and monolayer(ML)-MoS2
P. Anees, M. C. Valsakumar, B. K. Panigrahi
We delineated the role of thermally excited ripples on thermal expansion properties of 2D honeycomb materials (free-standing graphene, 2D h-BN, and ML-MoS2), by explicitly carrying…
Optical Properties of Mono-Dispersed AlGaN Nanowires in the Single-Prong Growth Mechanism
A. K. Sivadasan, Avinash Patsha, S. Polaki +5
Growth of mono-dispersed AlGaN nanowires of ternary wurtzite phase is reported using chemical vapour deposition technique in the vapour-liquid-solid process. The role of distributi…
Energetics, structure, and composition of nanoclusters in Oxide Dispersion Strengthened Fe-Cr alloys
M. Posselt, D. Murali, B. K. Panigrahi
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied…
Optical absorption and photoluminescence spectroscopy of the growth of silver nanoparticles
P. Gangopadhyay, R. Kesavamoorthy, Santanu Bera +4
Results obtained from the optical absorption and photoluminescence (PL) spectroscopy experiments have shown the formation of excitons in the silver-exchanged glass samples. These f…