39 citations · 90 across the 7 of their papers we have counts for
7 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…
Correlation between anion defects and ion beam induced luminescence in Y4Zr3O12
Sruthi Mohan, Gurpreet Kaur, Sachin Srivastava +3
Potential applications of Zr/Al ODS alloys vests on the irradiation stability of the Y4Zr3O12 dispersoids. Fundamental studies to identify the type of defects are important in orde…
Experimental validation of density functional theory calculations on the Zr/Al oxide nanocluster formation in bcc Fe
Sruthi Mohan, Gurpreet Kaur, C. David +2
Ab initio simulations carried out in different atomic cluster configurations in bcc Fe matrix containing Zr and Al suggest energetic favorability of Y-Zr-O phase nucleation, prefer…
Ultrafast Insight into High energy (C, D) Excitons in Few Layer WS2
Tanmay Goswami, Himanshu Bhatt, K. Justice Babu +3
High energy (C, D) excitons possess remarkable influence over the optical properties of layered transition metal dichalcogenides (TMDCs) and comprehensive understanding of these ma…
Magnetocaloric effect and spin-phonon correlations in RFe0.5Cr0.5O3 (R = Er and Yb) compounds
Kavita Yadav, Gurpreet Kaur, Mohit K. Sharma +1
We report the results of our investigation of the physical properties of mixed metal oxides RFe0.5Cr0.5O3 (R = Er and Yb). ErFe0.5Cr0.5O3 undergoes an antiferromagnetic ordering ar…