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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

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Reference TypeJournal (article/letter/editorial)
TitleFirst-principles simulations of CaO and CaSiO3 liquids: structure, thermodynamics and diffusion
JournalPhysics and Chemistry of Minerals
AuthorsBajgain, Suraj K.Author
Ghosh, Dipta B.Author
Karki, Bijaya B.Author
Year2015 (May)Volume42
Issue5
PublisherSpringer Science and Business Media LLC
DOIdoi:10.1007/s00269-014-0730-9Search in ResearchGate
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Mindat Ref. ID154010Long-form Identifiermindat:1:5:154010:3
GUID0
Full ReferenceBajgain, 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
Plain TextBajgain, 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
In(2015, May) Physics and Chemistry of Minerals Vol. 42 (5) Springer Science and Business Media LLC

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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
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
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
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
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., Bajgain, Suraj K., Mookherjee, Mainak, Karki, Bijaya B. (2017) Carbon-bearing silicate melt at deep mantle conditions. Scientific Reports, 7. doi:10.1038/s41598-017-00918-x
Bajgain, Suraj K., Mookherjee, Mainak, Dasgupta, Rajdeep, Ghosh, Dipta B., Karki, Bijaya B. (2019) Nitrogen Content in the Earth's Outer Core. Geophysical Research Letters, 46 (1) 89-98 doi:10.1029/2018gl080555
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
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., Ghosh, Dipta B., Verma, Ashok K. (2015) First-principles prediction of pressure-enhanced defect segregation and migration at MgO grain boundaries. American Mineralogist, 100 (5) 1053-1058 doi:10.2138/am-2015-5143
Bajgain, Suraj K., Ashley, Aaron Wolfgang, Mookherjee, Mainak, Ghosh, Dipta B., Karki, Bijaya B. (2022) Insights into magma ocean dynamics from the transport properties of basaltic melt. Nature Communications, 13 (1) doi:10.1038/s41467-022-35171-y
 
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