Quantitative assessment of the structure and bonding properties of 50VxOy-50P2O5 glass by classical and Born–Oppenheimer molecular dynamics

2024/04/18 by Steve Dave Wansi Wendji, S.D. Wansi Wendji, Carlo Massobrio +25 · 3 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Chemical physics #Chemistry #Computational chemistry #Computer science #Glass properties and applications #Luminescence Properties of Advanced Materials #Materials science #Molecular dynamics #Physics #Quantum mechanics #Reciprocal lattice #Statistical physics

paper · open access · doi:10.1016/j.jnoncrysol.2024.122967

published in Journal of Non-Crystalline Solids 634, 122967 (Elsevier BV)

openalex publication_date 2024/04/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22

Citations

• Review: the structure of simple phosphate glasses
• Structural units of binary vanadate glasses by X-ray and neutron diffraction
• LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales