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Interatomic potential parameters for molecular dynamics simulation of crystals in the system K2O-Na2O-CaO-MgO-Al2O3-SiO2.

  • MIYAKE A
Mineralogical Journal (1998) 20(4) 189-194
DOI: 10.2465/minerj.20.189
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Abstract

Potential parameters for molecular dynamics (MD) simulations in the K2O–Na2O–CaO–MgO–Al2O3–SiO2 system were newly evaluated and applied successfully to reproduce the cell parameters and the symmetries of 25 crystals at 300K and 1 atm and the thermal behaviour of plagioclase feldspar.

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APA

MIYAKE, A. (1998). Interatomic potential parameters for molecular dynamics simulation of crystals in the system K2O-Na2O-CaO-MgO-Al2O3-SiO2. Mineralogical Journal, 20(4), 189–194. https://doi.org/10.2465/minerj.20.189

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