Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

Details Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

Mar 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993lpi....24..829k&link_type=abstract

In Lunar and Planetary Inst., Twenty-Fourth Lunar and Planetary Science Conference. Part 2: G-M p 829-830 (SEE N94-16173 03-91)

Computer Science

2

Computerized Simulation, Crystal Growth, Evaporation, Forsterite, Melts (Crystal Growth), Reaction Kinetics, Diffusion, Evaporation Rate, Interatomic Forces

Scientific paper

Computer simulations based on the molecular dynamics (MD) technique were used to study the mechanisms and kinetics of free evaporation from crystalline and molten forsterite (i.e., Mg2SiO4) on an atomic level. The interatomic potential employed for these simulations reproduces the energetics of bonding in forsterite and in gas-phase MgO and SiO2 reasonably accurately. Results of the simulation include predicted evaporation rates, diffusion rates, and reaction mechanisms for Mg2SiO4(s or l) yields 2Mg(g) + 20(g) + SiO2(g).

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