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Lavrentiev, Mikhail Yu., van Westrenen, Wim, Allan, Neil L., Freeman, Colin L., Purton, John A. (2006) Simulation of thermodynamic mixing properties of garnet solid solutions at high temperatures and pressures. Chemical Geology, 225 (3) 336-346 doi:10.1016/j.chemgeo.2005.08.026

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Reference TypeJournal (article/letter/editorial)
TitleSimulation of thermodynamic mixing properties of garnet solid solutions at high temperatures and pressures
JournalChemical Geology
AuthorsLavrentiev, Mikhail Yu.Author
van Westrenen, WimAuthor
Allan, Neil L.Author
Freeman, Colin L.Author
Purton, John A.Author
Year2006 (January)Volume225
Issue3
PublisherElsevier BV
DOIdoi:10.1016/j.chemgeo.2005.08.026Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID294379Long-form Identifiermindat:1:5:294379:8
GUID0
Full ReferenceLavrentiev, Mikhail Yu., van Westrenen, Wim, Allan, Neil L., Freeman, Colin L., Purton, John A. (2006) Simulation of thermodynamic mixing properties of garnet solid solutions at high temperatures and pressures. Chemical Geology, 225 (3) 336-346 doi:10.1016/j.chemgeo.2005.08.026
Plain TextLavrentiev, Mikhail Yu., van Westrenen, Wim, Allan, Neil L., Freeman, Colin L., Purton, John A. (2006) Simulation of thermodynamic mixing properties of garnet solid solutions at high temperatures and pressures. Chemical Geology, 225 (3) 336-346 doi:10.1016/j.chemgeo.2005.08.026
In(2006, January) Chemical Geology Vol. 225 (3) Elsevier BV

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Freeman, Colin L., Lavrentiev, Mikhail Yu., Allan, Neil L., Purton, John A., Westrenen, Willem van (2005) Similarity in silicate chemistry: trace elements in garnet solid solutions. Journal of Molecular Structure: THEOCHEM, 727. 199-204 doi:10.1016/j.theochem.2005.02.027
Purton, J.A., Allan, N.L., Lavrentiev, M.Yu., Todorov, I.T., Freeman, C.L. (2006) Computer simulation of mineral solid solutions. Chemical Geology, 225 (3) 176-188 doi:10.1016/j.chemgeo.2005.08.032
Allan, Neil L., Du, Zhimei, Lavrentiev, Mikhail Yu., Blundy, Jon D., Purton, John A., van Westrenen, Wim (2003) Atomistic simulation of mineral–melt trace-element partitioning. Physics of the Earth and Planetary Interiors, 139 (1). 93-111 doi:10.1016/s0031-9201(03)00147-x
Freeman, Colin L., Allan, Neil L., van Westrenen, Wim (2006) Local cation environments in the pyrope–grossularMg3Al2Si3O12–Ca3Al2Si3O12garnet solid solution. Physical Review B, 74 (13) doi:10.1103/physrevb.74.134203
Purton, John A., Lavrentiev, Mikhail Yu., Allan, Neil L. (2007) Monte Carlo simulation of GaN/AlN and AlN/InN mixtures. Materials Chemistry and Physics, 105. 179-184 doi:10.1016/j.matchemphys.2007.04.024
Purton, John A., Lavrentiev, Mikhail Yu., Allan, Neil L., Todorov, Ilian T. (2005) Monte Carlo simulation of segregation in ceramic thin films. Physical Chemistry Chemical Physics, 7 (20). 3601pp. doi:10.1039/b506271c
Westrenen, W. van, Allan, N. L., Blundy, J. D., Lavrentiev, M. Yu, Lucas, B. R., Purton, J. A. (2003) Trace element incorporation into pyrope-grossular solid solutions: an atomistic simulation study. Physics and Chemistry of Minerals, 30 (4) 217-229 doi:10.1007/s00269-003-0307-5
Todorov, I T, Allan, N L, Lavrentiev, M Yu, Freeman, C L, Mohn, C E, Purton, J A (2004) Simulation of mineral solid solutions at zero and high pressure using lattice statics, lattice dynamics and Monte Carlo methods. Journal of Physics: Condensed Matter, 16 (27). doi:10.1088/0953-8984/16/27/011
Allan, Neil L., Barrera, Gustavo D., Lavrentiev, Mikhail Yu., Todorov, Ilian T., Purton, John A. (2001) Ab initio calculation of phase diagrams of ceramics and minerals. Journal of Materials Chemistry, 11. 63-68 doi:10.1039/b002951n
Purton, John A., Allan, Neil L. (2015) Multi-million atom Monte Carlo simulation of oxide materials and solid solutions. Computational Materials Science, 103. 244-249 doi:10.1016/j.commatsci.2015.03.016
Harris, Duncan J, Lavrentiev, Mikhail Yu, Harding, John H, Allan, Neil L, Purton, John A (2004) Novel exchange mechanisms in the surface diffusion of oxides. Journal of Physics: Condensed Matter, 16 (13). doi:10.1088/0953-8984/16/13/l03
 
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