ROSA decomposes the vibrational space of vitreous silica into six mutually orthogonal subspaces for bond-stretching, oxygen motions, tetrahedral strains, and bending modes, showing rigid rotations are enslaved to bending.
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First-principles calculations show van der Waals forces stabilize the known B2O3-I polymorph as lowest energy while metastable polymorphs match glass energy and density, offering an explanation for the material's strong vitrification tendency.
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The vibrational spectrum of vitreous silica: rigorous decomposition via recursive orthogonal splitting analysis
ROSA decomposes the vibrational space of vitreous silica into six mutually orthogonal subspaces for bond-stretching, oxygen motions, tetrahedral strains, and bending modes, showing rigid rotations are enslaved to bending.
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van der Waals forces stabilize low-energy polymorphism in B2O3: Implications for the crystallization anomaly
First-principles calculations show van der Waals forces stabilize the known B2O3-I polymorph as lowest energy while metastable polymorphs match glass energy and density, offering an explanation for the material's strong vitrification tendency.