3 papers
cond-mat.mtrl-sci2024
Iron phosphate glass structure at different length scale with emphasis on the medium range: a classical molecular dynamic study
Shakti Singh, Manan Dholakia, Sharat Chandra
Glasses are known to have medium range order (MRO) but its link to any experimentally measurable quantity is still ambiguous. The first sharp diffraction peak (FSDP) in structure-f…
cond-mat.mtrl-sci2023
Towards atomistic understanding of Iron phosphate glass: a first-principles based DFT modeling and study of its physical properties
Shakti Singh, Manan Dholakia, Sharat Chandra
Iron phosphate glasses (IPG) have been proposed as futuristic glass material for nuclear waste immobilization, anode material for lithium batteries and also as bioactive glass. In…
cond-mat.mtrl-sci2023
Characterizing MRO in atomistic models of vitreous SiO generated using ab-initio molecular dynamics
Sruti Sangeeta Jena, Shakti Singh, Sharat Chandra
Vitreous silica is the most versatile material for scientific and commercial applications. Although large-scale atomistic models of vitreous-SiO (v-SiO) having medium-range…