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Ghosh, Dipta B., Karki, Bijaya B. (2018) First-principles molecular dynamics simulations of anorthite (CaAl2Si2O8) glass at high pressure. Physics and Chemistry of Minerals, 45 (6) 575-587 doi:10.1007/s00269-018-0943-4

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Reference TypeJournal (article/letter/editorial)
TitleFirst-principles molecular dynamics simulations of anorthite (CaAl2Si2O8) glass at high pressure
JournalPhysics and Chemistry of Minerals
AuthorsGhosh, Dipta B.Author
Karki, Bijaya B.Author
Year2018 (June)Volume45
Issue6
PublisherSpringer Science and Business Media LLC
DOIdoi:10.1007/s00269-018-0943-4Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID154259Long-form Identifiermindat:1:5:154259:6
GUID0
Full ReferenceGhosh, Dipta B., Karki, Bijaya B. (2018) First-principles molecular dynamics simulations of anorthite (CaAl2Si2O8) glass at high pressure. Physics and Chemistry of Minerals, 45 (6) 575-587 doi:10.1007/s00269-018-0943-4
Plain TextGhosh, Dipta B., Karki, Bijaya B. (2018) First-principles molecular dynamics simulations of anorthite (CaAl2Si2O8) glass at high pressure. Physics and Chemistry of Minerals, 45 (6) 575-587 doi:10.1007/s00269-018-0943-4
In(2018, June) Physics and Chemistry of Minerals Vol. 45 (6) Springer Science and Business Media LLC

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Karki, Bijaya B., Ghosh, Dipta B., Wang, Jianwei, Karato, Shun-ichiro (2023) Crystal–melt interfaces in Mg2SiO4 at high pressure: structural and energetics insights from first-principles simulations. Physics and Chemistry of Minerals, 50 (4) doi:10.1007/s00269-023-01256-3
Ghosh, Dipta B., Karki, Bijaya B. (2014) First principles simulations of the stability and structure of grain boundaries in Mg2SiO4 forsterite. Physics and Chemistry of Minerals, 41 (3) 163-171 doi:10.1007/s00269-013-0633-1
Bajgain, Suraj K., Ghosh, Dipta B., Karki, Bijaya B. (2015) First-principles simulations of CaO and CaSiO3 liquids: structure, thermodynamics and diffusion. Physics and Chemistry of Minerals, 42 (5) 393-404 doi:10.1007/s00269-014-0730-9
Banjara, Dipendra, Ghosh, Dipta B., Karki, Bijaya B. (2023) First-principles simulations of liquid iron-heavy element alloys at high pressure. Physics of the Earth and Planetary Interiors, 337. 107008 doi:10.1016/j.pepi.2023.107008
Ghosh, Dipta B., Karki, Bijaya B. (2011) Diffusion and viscosity of Mg2SiO4 liquid at high pressure from first-principles simulations. Geochimica et Cosmochimica Acta, 75 (16) 4591-4600 doi:10.1016/j.gca.2011.05.030
Bajgain, Suraj, Ghosh, Dipta B., Karki, Bijaya B. (2015) Structure and density of basaltic melts at mantle conditions from first-principles simulations. Nature Communications, 6. doi:10.1038/ncomms9578
B. Ghosh, Dipta, B. Karki, Bijaya, Wang, Jianwei (2025) Speciation and diffusive dynamics in hydrated grain boundaries of complex oxide Gd2Ti2O7. Physics and Chemistry of Minerals, 52 (1). doi:10.1007/s00269-024-01309-1
Karki, Bijaya B., Maharjan, Charitra, Ghosh, Dipta B. (2019) Thermodynamics, structure, and transport properties of the MgO–Al2O3 liquid system. Physics and Chemistry of Minerals, 46 (5) 501-512 doi:10.1007/s00269-018-01019-5
Ghosh, Dipta B., Karki, Bijaya B. (2020) Effects of valence and spin of Fe in MgSiO3 melts: Structural insights from first-principles molecular dynamics simulations. Geochimica et Cosmochimica Acta, 279. 107-118 doi:10.1016/j.gca.2020.03.040
Ghosh, D. B., Karki, B. B., Stixrude, L. (2014) First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure. American Mineralogist, 99 (7) 1304-1314 doi:10.2138/am.2014.4631
Ghosh, Dipta B., Karki, Bijaya B. (2017) Transport properties of carbonated silicate melt at high pressure. Science Advances, 3 (12). doi:10.1126/sciadv.1701840
 
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