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Results: 1-10 |
Results: 10
Ab initio calculation of phase diagrams of oxides
Authors: Lavrentiev, MY Allan, NL Barrera, GD Purton, JA
Citation: My. Lavrentiev et al., Ab initio calculation of phase diagrams of oxides, J PHYS CH B, 105(17), 2001, pp. 3594-3599
Ab initio calculation of phase diagrams of ceramics and minerals
Authors: Allan, NL Barrera, GD Lavrentiev, MY Todorov, IT Purton, JA
Citation: Nl. Allan et al., Ab initio calculation of phase diagrams of ceramics and minerals, J MAT CHEM, 11(1), 2001, pp. 63-68
Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics
Authors: Allan, NL Barrera, GD Barron, THK Taylor, MB
Citation: Nl. Allan et al., Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics, INT J THERM, 22(2), 2001, pp. 535-546
Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics - art. no. 094203
Authors: Allan, NL Barrera, GD Fracchia, RM Lavrentiev, MY Taylor, MB Todorov, IT Purton, JA
Citation: Nl. Allan et al., Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics - art. no. 094203, PHYS REV B, 6309(9), 2001, pp. 4203
Ionic solids at elevated temperatures and/or high pressures: lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies
Authors: Allan, NL Barrera, GD Purton, JA Sims, CE Taylor, MB
Citation: Nl. Allan et al., Ionic solids at elevated temperatures and/or high pressures: lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies, PHYS CHEM P, 2(6), 2000, pp. 1099-1111
Structure and energetics of Cu-Au alloys
Authors: Barrera, GD de Tendler, RH Isoardi, EP
Citation: Gd. Barrera et al., Structure and energetics of Cu-Au alloys, MODEL SIM M, 8(3), 2000, pp. 389-401
Configurational lattice dynamics and hybrid Monte Carlo approaches to thermodynamic properties of solid solutions
Authors: Allan, NL Barrera, GD Fracchia, RM Pongsai, BK Purton, JA
Citation: Nl. Allan et al., Configurational lattice dynamics and hybrid Monte Carlo approaches to thermodynamic properties of solid solutions, J MOL ST-TH, 506, 2000, pp. 45-53
Thermodynamics of solid solutions via lattice dynamics and hybrid Monte Carlo simulations
Authors: Fracchia, RM Purton, JA Allan, NL Barron, THK Barrera, GD Blundy, JD
Citation: Rm. Fracchia et al., Thermodynamics of solid solutions via lattice dynamics and hybrid Monte Carlo simulations, RADIAT EFF, 151(1-4), 1999, pp. 197-202
Quasiharmonic free energy and derivatives for slabs: Oxide surfaces at elevated temperatures
Authors: Taylor, MB Sims, CE Barrera, GD Allan, NL Mackrodt, WC
Citation: Mb. Taylor et al., Quasiharmonic free energy and derivatives for slabs: Oxide surfaces at elevated temperatures, PHYS REV B, 59(10), 1999, pp. 6742-6751
Quasiharmonic free energy and derivatives for three-body interactions
Authors: Taylor, MB Allan, NL Bruno, JAO Barrera, GD
Citation: Mb. Taylor et al., Quasiharmonic free energy and derivatives for three-body interactions, PHYS REV B, 59(1), 1999, pp. 353-363
Risultati: 1-10 |