S. Pratapa

Structural evolution of silica: molecular dynamics comparison of monomer-derived and melt-quenched networks with experimental support from rice husk

Molecular dynamics (MD) simulations of silica (SiO2) crystallization remain challenging due to high energy barriers that frequently trap systems in amorphous states. Although experimental synthesis commonly relies on pH-controlled sol-gel routes, computational studies predominantly employ extreme melt-quench protocol...