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cond-mat.mtrl-sci2025
Phonon density of states of silica (SiO2) nanopore via molecular dynamics simulations
Pablo Galaviz, Dehong Yu, Nicolas de Souza +4
This study presents a comprehensive computational investigation of the vibration density of states (VDOS) of a silica nanopore, systematically evaluating a range of force fields ag…
cond-mat.mtrl-sci2025★ 4 cited
Phonon density of states of magnetite (\ce{Fe3O4}) nanoparticles via molecular dynamics simulations
Pablo Galaviz, Kyle A. Portwin, Dehong Yu +3
This study presents a comprehensive computational investigation of magnetite nanoparticles, systematically evaluating a range of force fields against experimental results. We analy…