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cond-mat.mtrl-sci2004
Ab-initio simulation of photoinduced transformation of small rings in amorphous silica
D. Donadio M. Bernasconi
We have studied the photoinduced transformation of small rings (3-membered) in amorphous silica by Car-Parrinello simulations. The process of ring opening leading to the formation…
cond-mat.mtrl-sci2004★ 41 cited
Photoelasticity of sodium silicate glass from first principles
D. Donadio, M. Bernasconi, F. Tassone
Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (NaO)(SiO) (NS…
cond-mat.mtrl-sci2004★ 100 cited
Polyamorphism of ice at low temperatures from constant-pressure simulations
R. Martonak, D. Donadio, M. Parrinello
We report results of MD simulations of amorphous ice in the pressure range 0 - 22.5 kbar. The high-density amorphous ice (HDA) prepared by compression of Ih ice at T = 80 K is anne…