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Results: 1-15 |
Results: 15
Thermodynamics of hexagonal-close-packed iron under Earth's core conditions - art. no. 045123
Authors: Alfe, D Price, GD Gillan, MJ
Citation: D. Alfe et al., Thermodynamics of hexagonal-close-packed iron under Earth's core conditions - art. no. 045123, PHYS REV B, 6404(4), 2001, pp. 5123
Phonon density of states of iron up to 153 gigapascals
Authors: Mao, HK Xu, J Struzhkin, VV Shu, J Hemley, RJ Sturhahn, W Hu, MY Alp, EE Vocadlo, L Alfe, D Price, GD Gillan, MJ Schwoerer-Bohning, M Hausermann, D Eng, P Shen, G Giefers, H Lubbers, R Wortmann, G
Citation: Hk. Mao et al., Phonon density of states of iron up to 153 gigapascals, SCIENCE, 292(5518), 2001, pp. 914-916
Structure and dynamics of liquid iron under Earth's core conditions
Authors: Alfe, D Kresse, G Gillan, MJ
Citation: D. Alfe et al., Structure and dynamics of liquid iron under Earth's core conditions, PHYS REV B, 61(1), 2000, pp. 132-142
Tight binding molecular dynamics studies of the viscosity of liquid selenium
Authors: Stadler, R Bowler, DR Alfe, D Gillan, MJ
Citation: R. Stadler et al., Tight binding molecular dynamics studies of the viscosity of liquid selenium, J PHYS-COND, 12(24), 2000, pp. 5109-5119
First principles calculations on the diffusivity and viscosity of liquid Fe-S at experimentally accessible conditions
Authors: Vocadlo, L Alfe, D Price, GD Gillan, MJ
Citation: L. Vocadlo et al., First principles calculations on the diffusivity and viscosity of liquid Fe-S at experimentally accessible conditions, PHYS E PLAN, 120(1-2), 2000, pp. 145-152
Ab initio free energy calculations on the polymorphs of iron at core conditions
Authors: Vocadlo, L Brodholt, J Alfe, D Gillan, MJ Price, GD
Citation: L. Vocadlo et al., Ab initio free energy calculations on the polymorphs of iron at core conditions, PHYS E PLAN, 117(1-4), 2000, pp. 123-137
Constraints on the composition of the Earth's core from ab initio calculations
Authors: Alfe, D Gillan, MJ Price, GD
Citation: D. Alfe et al., Constraints on the composition of the Earth's core from ab initio calculations, NATURE, 405(6783), 2000, pp. 172-175
Recent developments in ab initio thermodynamics
Authors: Alfe, D De Wijs, GA Kresse, G Gillan, MJ
Citation: D. Alfe et al., Recent developments in ab initio thermodynamics, INT J QUANT, 77(5), 2000, pp. 871-879
The structure of iron under the conditions of the Earth's inner core
Authors: Vocadlo, L Brodholt, J Alfe, D Price, GD Gillan, MJ
Citation: L. Vocadlo et al., The structure of iron under the conditions of the Earth's inner core, GEOPHYS R L, 26(9), 1999, pp. 1231-1234
The reconstruction of nickel and rhodium (001) surfaces upon carbon, nitrogen or oxygen adsorptions
Authors: Alfe, D de Gironcoli, S Baroni, S
Citation: D. Alfe et al., The reconstruction of nickel and rhodium (001) surfaces upon carbon, nitrogen or oxygen adsorptions, SURF SCI, 437(1-2), 1999, pp. 18-28
Oxygen in the Earth's core: a first-principles study
Authors: Alfe, D Price, GD Gillan, MJ
Citation: D. Alfe et al., Oxygen in the Earth's core: a first-principles study, PHYS E PLAN, 110(3-4), 1999, pp. 191-210
The melting curve of iron at the pressures of the Earth's core from ab initio calculations
Authors: Alfe, D Gillan, MJ Price, GD
Citation: D. Alfe et al., The melting curve of iron at the pressures of the Earth's core from ab initio calculations, NATURE, 401(6752), 1999, pp. 462-464
Transport coefficients of liquids from first principles
Authors: Stadler, R Alfe, D Kresse, G de Wijs, GA Gillan, MJ
Citation: R. Stadler et al., Transport coefficients of liquids from first principles, J NON-CRYST, 250, 1999, pp. 82-90
Ab initio molecular dynamics, a simple algorithm for charge extrapolation
Authors: Alfe, D
Citation: D. Alfe, Ab initio molecular dynamics, a simple algorithm for charge extrapolation, COMP PHYS C, 118(1), 1999, pp. 31-33
First-principles calculation of transport coefficients
Authors: Alfe, D Gillan, MJ
Citation: D. Alfe et Mj. Gillan, First-principles calculation of transport coefficients, PHYS REV L, 81(23), 1998, pp. 5161-5164
Risultati: 1-15 |