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Atomistic modeling approach to the thermodynamics of sodium silicate glasses
Paul C. M. Fossati
, Thomas A. Mellan
, Navaratnarajah Kuganathan
,
William E. Lee
School of Computer Science & Engineering
Imperial College London
Coventry University, UK
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Keyphrases
Thermodynamical Properties
100%
Atomistic Modeling
100%
Thermodynamics
100%
Modeling Approach
100%
Sodium Silicate Glass
100%
Vibration Mode
66%
Silicate Glass
66%
Silica
66%
Sodium Oxide
66%
Network Modifier
66%
Network Former
33%
Oxides
33%
Sodium
33%
Atomic Scale
33%
Accurate Determination
33%
Sodium Silicate
33%
Statistical Interaction
33%
Amorphous SiO2
33%
Complex Silicates
33%
Na2O Concentration
33%
Simulation-based
33%
Scale Model
33%
Small Systems
33%
Vibration Spectrum
33%
Empirical Potentials
33%
Mode Properties
33%
Electronic Structure Calculations
33%
Spectra Properties
33%
Material Science
Sodium
100%
Silicate Glass
100%
Silicate
33%
Oxide Compound
33%
Electronic Structure Calculation
33%