26 citations · 28 across the 5 of their papers we have counts for
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Sodium Diffusion and Dynamics in Na2Ti3O7: Neutron Scattering and Ab-initio Simulations
Ranjan Mittal, Sajan Kumar, Mayanak K. Gupta +7
We have performed quasielastic and inelastic neutron scattering (QENS and INS) measurements from 300 K to 1173 K to investigate the Na-diffusion and underlying host dynamics in Na2…
Stoichiometric Tuning of Lattice Flexibility and Na Diffusion in NaAlSiO4: Quasielastic Neutron Scattering Experiment and Ab-initio Molecular Dynamics Simulations
Mayanak K. Gupta, Ranjan Mittal, Sajan Kumar +7
We have performed quasielastic neutron scattering (QENS) experiments up to 1243 K and ab-initio molecular dynamics (AIMD) simulations to investigate the Na diffusion in various pha…
Phase Transition Mechanism of Hexagonal Graphite to Hexagonal and Cubic Diamond: Ab-initio Simulation
Ranjan Mittal, Mayanak Kumar Gupta, Samrath Lal Chaplot
We have performed ab-initio molecular dynamics simulations to elucidate the mechanism of the phase transition at high pressure from hexagonal graphite (HG) to hexagonal diamond (HD…