PRICE, DAVID G. / Earth sciences / Researchers

International Center for Scientific Research

Researchers

Earth sciences / PRICE, DAVID G.

d.priceucl.ac.uk

Position

Vice Provost for Research and Professor of Mineral Physics, Department of Earth Sciences, University College London, London, UK.

Research interests

David Price (Schlumberger Medallist of the Mineralogical Society of Great Britain 1999, Member of the Academia Europaea 2000, Murchison Medallist of the Geological Society of London 2002) is a mineral physicist, who 20 years ago was one of the first to established the now major field of computational mineral physics, and in this time has published over 160 research papers. He has been one of the pioneers in the application of ab initio molecular dynamics methods to deep Earth systems. Price's work has not just been computational, however, rather he has always combined experiment, theory and modelling to tackle major deep Earth Sciences problems. Specifically he has used x-ray, neutron and electron diffraction techniques to determine the structure and physical properties of materials, usually at high T or P, and theoretical crystal chemical and crystallographic analysis aimed at establishing the factors that determine the structural stability of inorganic phases. His research led to the discovery of the first natural occurrence of beta-Mg2SiO4, which he named wadsleyite, and which is now believed to be the major constituent of the upper part of the transition zone of the Earth's mantle.

Prizes and awards

2006 Awarded the Louis Néel Medal of the European Geosciences Union for “establishing the importance of computational mineral physics in Earth sciences and for outstanding contributions to the physics of the Earth's core."

2005 Awarded Fellowship of the American Geophysical Union

2002 Awarded the Murchison Medal of the Geological Society of London.

2000 Elected Member of the Academia Europaea

1999 Awarded the Schlumberger Medal of the Mineralogical Society of Great Britain and Ireland.

1997-98 Leverhulme Research Fellow

1997 - Elected a Fellow of the Mineralogical Society of America in recognition of significant contributions to the fields of mineralogy, petrology and crystallography.

1990 - 96 Visiting Research Fellow at the Natural History Museum, London.

1990 - 91 MacRoberts Lecturer at the Royal Institution

1981 - 83 Research Fellow at Clare College, Cambridge.

1980 - 81 Senior Research Scholar of the Fulbright-Hayes programme.

1977 Awarded Clare College Horne Prize.

1976 Awarded Clare College Foundation Scholarship.

1975 Awarded Clare College Scholarship.


He is a past President of the Mineralogical Society of Great Britain and Ireland; past Vice President of the European Mineralogical Union; and a Member of the Academia Europaea. He has been elected a Fellow of both the American Geophysical Union and the Mineralogical Society of America, and has been awarded the Schlumberger Medal of the Mineralogical Society, the Murchison Medal of the Geological Society of London, and most recently the Louis Néel Medal of the European Geosciences Union for “establishing the importance of computational mineral physics in Earth sciences and for outstanding contributions to the physics of the Earth's core."

Publications

2000

Vocadlo L, Brodholt J, Alfe D, Gillan MJ, Price GD (2000) Ab initio free energy calculations on the polymorphs of iron at core conditions. Physics Of The Earth And Planetary Interiors, 117, No.1-4, pp.123-137.

daSilva CRS, Wentzcovitch RM, Patel A, Price GD, Karato SI (2000) The composition and geotherm of the lower mantle: constraints from the elasticity of silicate perovskite. Physics Of The Earth And Planetary Interiors, 118, No.1-2, pp.103-109.

Vocadlo L, Poirer JP, and Price GD (2000) Gruneisen parameters and isothermal equations of state. American Mineralogist, 85, (2) 390-395.

Alfe, D, Gillan, MJ and Price, GD (2000) Constraints on the composition of the Earth's core from ab initio calculations, Nature, 405, 172-175.

de Leeuw, NH, Parker, SC, Catlow, CRA and Price, GD (2000) Modelling the effect of water on the surface structure and stability of forsterite. Phys. Chem. Miner. 27, 332-341.

Vocadlo, L, Price, GD and Wood, IG (2000) Structures and physical properties of epsilon-FeSi-type and CsCl-type RuSi studied by first-principles pseudopotential calculations. Acta Crystallogr. Sect. B-Struct. Sci., 56, 369-376.

de Leeuw, NH, Parker, SC, Catlow, CRA, Price, GD (2000) Proton-containing defects at forsterite {010} tilt grain boundaries and stepped surfaces. American Mineralogist, 85, 1143-1154

Alfe, D, Price, GD, Gillan, MJ (2000) Thermodynamic stability of Fe/O solid solution at inner-core conditions. Geophysical Research Letters, 27, 2417- 2420.

Vocadlo, L, Alfe, D, Price, GD, Gillan, MJ (2000) First principles calculations on the diffusivity and viscosity of liquid Fe-S at experimentally accessible conditions. Physics Of The Earth And Planetary Interiors, 120, 145-152.

Oganov, AR, Brodholt, JP, Price, GD (2000) Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model applied to MgSiO3 perovskite. Physics Of The Earth And Planetary Interiors. 122, 277- 288.


2001

Alfe, D, Price, GD, Gillan, MJ (2001) Thermodynamics of hexagonal-close-packed iron under Earth's core conditions. Physical Review B, 6404, 5123

Oganov, AR, Brodholt, JP, Price, GD (2001) The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle. Nature, 411, 934- 937.

Bull, CL,Mortimer, R, Sankar, G,,Gleeson, D, Catlow, CRA, Wood, IG, Price, GD (2001)Structural & physical properties of the binary transition metal-containing perovskite La2CoMnO6. Synthetic Metals, 121, 1467-1468.

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 (2001) Phonon density of states of iron up to 153 gigapascals, Science, 292, 914-916.

Martin, P, Price, GD, Vocadlo, L (2001) An ab initio study of the relative stabilities and equations of state of FeS polymorphs. Mineralogical Magazine, 65, 181-191.

Pereira, JCG, Catlow, CRA, Price, GD (2001) Molecular dynamics simulation of liquid H2O, MeOH, EtOH, Si(OMe)4, and Si(OEt)4, as a function of temperature and pressure. Journal Of Physical Chemistry A, 105, 1909-1925.

Oganov, AR, Brodholt, JP, Price, GD (2001) Ab initio elasticity and thermal equation of state of MgSiO3 perovskite. Earth And Planetary Science Letters, 184, 555-560.

Oganov AR, Price GD, Brodholt JP (2001) Theoretical investigation of metastable Al2SiO5 polymorphs Acta Crystallogr A 57: 548-557


2002

Alfe, D, Gillan, MJ, Price, GD (2002) Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data. Earth Planet. Sci. Lett. 195, 91-98.

Pereira, JCG, Catlow, CRA, Price, GD (2002) Molecular dynamics simulation of methanolic and ethanolic silica-based sol-gel solutions at ambient temperature and pressure. J. Phys. Chem. A, 106, 130-148.

Alfe, D, Price, GD, Gillan, MJ (2002) Iron under Earth’s core conditions: Liquid-state thermodynamics and high-pressure melting curve from ab initio calculations. Phys Review B, 65, 165118, 1-11.

Alfe, D, Gillan, MJ, Price, GD (2002) Ab initio chemical potential of solid and liquid solutions and chemistry of the Earth’s core. J Chemical Physics, 116, 7127-7136.

Alfe, D, Gillan, MJ, Price, GD (2002) Complementary approaches to the ab initio calculation of melting properties. J Chemical Physics, 116, 6170-6177.

Vocadlo, L, Knight KS, Price, GD, Wood, IG (2002) Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction. Physics and Chemistry of Minerals, 29, 132-139.

Wood IG, Knight KS, Price GD, Stuart, JA (2002) Thermal expansion and atomic displacement parameters of cubic KMgF3 perovskite determined by high-resolution neutron powder diffraction. J Appl Crystallogr 35: 291-295.

Alfe, D, Gillan, MJ, Vocadlo, L, Brodholt, JP, Price, GD (2002) The ab initio simulation of the Earth’s core. Phil Trans R Soc A, 360, 1071-1294.

Y. Le Godec, M. T. Dove, D. J. Francis, S. C. Kohn, W. G. Marshall, A. R. Pawley, G. D. Price,S. A. T. Redfern, N. Rhodes, N. L. Ross, P. F. Schofield, E. Schooneveld, G. Syfosse, M. G. Tucker and M. D. Welch (2001) Neutron diffraction at simultaneous high temperatures and pressures, with measurement of temperature by neutron radiography. Min Mag, 65, 737-748.

DeCarli, PS, Bowden E, Sharp TG, Jones AP and Price GD (2002) Evidence for kinetic effects on shock wave propagation in tectosilicates. CP620 Shock Compression of Condensed Matter –2001 (eds MD Furnish, NN Thadhani and Y Horie), 1381-1384.

DeCarli, PS, Bowden E, Jones AP and Price GD (2002) Laboratory impact experiments verses natural impact events. In: Catastrophic Events and Mass Extinction: Impacts and Beyond (eds C Koeberl and KG MacLeod). Geol Soc America Special Paper 356, 595-605.

Jones AP, Price GD, Price, NJ, De Carli, PS, Clegg, RA (2002) Impact induced melting and the development of large igneous provinces. Earth and Planetary Science Letters, 202,551-561.

Lidunka Vocadlo, John Brodholt, David P. Dobson, K.S. Knight, W.G. Marshall , G. David Price, Ian G. Wood (2002) The effect of ferromagnetism on the equation of state of Fe3C studied by first-principles calculations. Earth and Planetary Science Letters, 203, 567-575.

Brodholt, J.P., A. R. Oganov and G. D. Price (2002) Computational mineral physics and the physical properties of perovskite. Phil. Trans. R. Soc. Lond. A 360, 2507-2520.


2003

Jones AP, Price GD, De Carli, PS, Price, NJ, Clegg, RA (2003) Impact decompression melting: a possible trigger for impact induced volcanism and mantle hotspots? In: Impact markers in the Stratigraphic Record (eds C Koeberl and F Martinez-Ruiz), Springer, Berlin, p91-120.

Alfe D, Gillan MJ, Price GD (2003) Thermodynamics from first principles: temperature and composition of the Earth's core. Mineral Mag 67 (1): 113-123.

Oganov AR, Gillan MJ, Price GD (2003) Ab initio lattice dynamics and structural stability of MgO. J Chem Phys. 118 10174-10182.

Jones A P, Mutanen T, Tuisku P, Hanski E and Price G D (2003) The Pechenga structure, Russia: giant Ni-Cu mineralisation related to large meteorite impact? Applied Earth Science (Trans. Inst. Min. Metall. B),Vol. 112, B149-150.

Vočadlo L, Alfè D, Gillan MJ, Wood IG, Brodholt JP, Price, GD (2003) Possible thermal and chemical stabilisation of body- centred- cubic iron in the Earth’s core? Nature, 424: 536-53.

Takada A, Catlow CRA, Price GD (2003) 'Computer synthesis' of B2O3 polymorphs. Phys Chem Glasses 44: 147-149.

Vočadlo L, Alfè D, Gillan MJ, Price GD (2003) The properties of iron under Core conditions from first principles calculations, Physics of the Earth and Planetary Interiors, 140, 101-125.

Gubbins D, Alfè D, Masters G, Price GD, Gillan MJ (2003)Can the Earth's Dynamo run on Heath Alone ? Geophysical Journal International, 155, 609-622.


2004

Gubbins D, Alfè D, Masters G, Price GD, Gillan MJ (2004)Gross thermodynamics of 2-component core convection. Geophysical Journal International, Geophysical Journal International, 157, 1407-1414.

Vočadlo L, Alfè D, Price GD, Gillan MJ (2004) Ab initio melting curve of copper by the phase co-existence approach. J Chem Phys 120: 2872-2878.

F. Nimmo, G.D. Price, J. Brodholt, D. Gubbins (2004) The influence of potassium on core and geodynamo evolution. Geophysical Journal International, 156 : 363-376.

I. G. Wood, Lidunka Vočadlo, K. S. Knight, David P. Dobson, W. G. Marshall, G. David Price and John Brodholt (2004) Thermal expansion and crystal structure of cementite, Fe3C, between 4K and 600K determined by time-of-flight neutron powder diffraction. J appl Cryst, 37: 82-90.

Alfe D, Vocadlo L, Price GD, Gillan MJ (2004) Melting curve of materials: theory versus experiments. J Phys-Condens Mat 16: S973-S982

Alfe D, Price GD, Gillan MJ (2004) The melting curve of iron from quantum mechanics calculations. J Phys Chem Solids 65 : 1573-1580.

Martin, P., Vočadlo, L., Alfè, D., and Price, G. D. (2004) An Ab Initio Study of the Relative Stabilities and Equations of State of Fe3S Polymorphs. Mineralogical Magazine, 68, 813-817.

Takada A, Richet P, Catlow CRA, Price GD. (2004) Molecular dynamics simulations of vitreous silica structures. J NON-CRYST SOLIDS 345-46: 224-229

Alfredsson M, Price GD, Catlow CRA, Parker SC, Orlando R, Brodholt JP (2004). Electronic structure of the antiferromagnetic B1-structured FeO. PHYS REV B 70 (16): art. no. 165111

G. D. Price, D. Alfè, L. Vocadlo, M. J. Gillan, (2004) The Earth's core: an approach from first principles, in "The State of the Planet: Frontiers and Challenges in Geophysics" (Editors R. S. J. Sparks and C. J. Hawksworth), AGU Geophysical Monograph Series 150, 1-12.


2005

S. Stackhouse, J.P. Brodholt, J. Wookey, J-M. Kendall and G.D. Price; (2005) The effect of temperature on acoustic anisotropy of the perovskite and post-perovskite polymorphs of MgSiO3. Earth Planet Sci. Lett. 230(1-2) 1-10.

Alfredsson M, Brodholt JP, Dobson DP, Oganov AR, Catlow CRA, Parker SC, Price GD (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite. Physics And Chemistry of Minerals, 31 (10): 671-682

Oganov AR, Price GD (2005) Ab initio thermodynamics of MgSiO3 perovskite at high pressures and temperatures. J CHEM PHYS 122 (12): art. no. 124501

Caracas R, Wentzcovitch R, Price GD, Brodholt J (2005) CaSiO3 perovskite at lower mantle pressures. GEOPHYS RES LETT 32 (6): art. no. L06306

Oganov AR, Gillan MJ, Price GD (2005) Structural stability of silica at high pressures and temperatures. PHYS REV B 71 (6): art. no. 064104

M. Alfredsson, F. Cora, J. P. Brodholt P.B. Wilson and G. D. Price (2005) Magnetic and Structural Phase Transitions using hybrid functionals, Mol. Sim., 31, 367-377.

S. Wells, D. Alfe, L. Blanchard, J. Brodholt, M. Calleja, C.R.A. Catlow, G.D. Price, R. Tyler, K. Wright (2005) Ab-initio simulations of magnetic iron sulphides, Mol. Sim., 31, 379-384.

Dove, M. T., Calleja, M., Bruin, R., Wakelin, J., Tucker, M. G., Lewis, G. J., Mehmood Hasan, S., Alexandrov, V. N., Keegan, M., Ballard, S., Tyer, R. P., Todorov, I., Wilson, P. B., Alfredsson, M., Price, G.D., Chapman, C., Emmerich, W., Wells, S. A., Marmier, A., Parker, S. C., Du, Z. (2005) The e Minerals collaboratory tools and experience. Mol. Sim. 31, 329-337.

S. Stackhouse, J. P. Brodholt, and G. D. Price (2005) High temperature elastic anisotropy of the perovskite and post-perovskite polymorphs of Al2O3, GEOPHYSICAL RESEARCH LETTERS , 32 (13): art. no. L13305

Oganov AR, Price GD, Scandolo S (2005) Ab initio theory of planetary materials. Z Kristallogr., 220 531-548.

L. Li, J. Brodholt, S. Stackhouse, D. J. Weidner, M. Alfredsson, and G. D. Price (2005) Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle, GEOPHYSICAL RESEARCH LETTERS 32 (17): Art. No. L17307

Alfredsson M, Cora F, Brodholt JP, Parker SC, Price GD (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. PHYSICS AND CHEMISTRY OF MINERALS 32 (5-6): 379-387

Blanchard M, Alfredsson M, Brodholt J, Price GD, Wright K, Catlow CRA (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite JOURNAL OF PHYSICAL CHEMISTRY B 109 (46): 22067-22073

Wookey J, Stackhouse S, Kendall JM, Brodholt J, Price GD (2005) Efficacy of the post-perovskite phase as an explanation for lowermost-mantle seismic properties NATURE 438 (7070): 1004-1007

Adrian P. Jones, Kai Wünemann, G. David Price (2005) Modeling impact volcanism as a possible origin for the Ontong Java Plateau Geological Society of America, Special Paper 388, 711-720

Li L, Brodholt JP, Stackhouse S, Weidner DJ, Alfredsson M, Price GD Elasticity of (Mg, Fe)(Si, Al)O-3-perovskite at high pressure. EARTH AND PLANETARY SCIENCE LETTERS 240 (2): 529-536 DEC 1 2005


2006

Stackhouse, S., J. P. Brodholt, and G. D. Price (2006), Elastic anisotropy of FeSiO3 end-members of the perovskite and post-perovskite phases, Geophys. Res. Lett., 33, L01304, doi:101029/2005GL023887

Ostanin S, Alfe D, Dobson D, Vocadlo L, Brodholt JP, Price GD (2006) Ab initio study of the phase separation of argon in molten iron at high pressures. GEOPHYSICAL RESEARCH LETTERS 33 (6): Art. No. L06303

Stackhouse S, Brodholt JP, Dobson DP, Price GD (2006) Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite. GEOPHYSICAL RESEARCH LETTERS 33 (12): Art. No. L12S03

Li L, Weidner DJ, Brodholt J, Alfe D, Price GD, Caracas R, Wentzcovitch R (2006) Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics. PHYSICS OF THE EARTH AND PLANETARY INTERIORS 155 (3-4): 260-268

Li L, Weidner DJ, Brodholt J, Alfe D, Price GD, Caracas R, Wentzcovitch R (2006) Elasticity of CaSiO3 perovskite at high pressure and high temperature. PHYSICS OF THE EARTH AND PLANETARY INTERIORS 155 (3-4): 249-259

Gillan MJ, Alfe D, Brodholt J, Vocadlo, L., Price, G. D.(2006) First-principles modelling of Earth and planetary materials at high pressures and temperatures. REPORTS ON PROGRESS IN PHYSICS 69 (8): 2365-2441

Li L, Weidner DJ, Brodholt J, Alfe D, Price GD (2006) Elasticity of Mg2SiO4 ringwoodite at mantle conditions. PHYSICS OF THE EARTH AND PLANETARY INTERIORS 157 (3-4): 181-187

Mehta S, Price GD, Alfe D (2006) Ab initio thermodynamics and phase diagram of solid magnesium: A comparison of the LDA and GGA. JOURNAL OF CHEMICAL PHYSICS 125 (19): Art. No. 194507 NOV 21.


2007

Stackhouse S, Brodholt JP, Price GD (2007) Electronic spin transitions in iron-bearing MgSiO3 perovskite. EARTH AND PLANETARY SCIENCE LETTERS 253 (1-2): 282-290 JAN 15

Li L, Weidner DJ, Brodholt J, Price GD (2007) The effect of cation-ordering on the elastic properties of majorite: An ab initio study. EARTH AND PLANETARY SCIENCE LETTERS 256 (1-2): 28-35 APR 15

Takada A, Richet P, Catlow CRA, Price GD (2007) Molecular dynamics simulation of polymorphic and polyamorphic transitions in tetrahedral network glasses: BeF2 and GeO2. JOURNAL OF NON-CRYSTALLINE SOLIDS 353 (18-21): 1892-1898

Price GD (2007) Mineral Physics: Past, Present, and Future. In: Schubert G (editor in chief) Treatise on Geophysics: Mineral Physics (ed: GD Price), 2, 1-6.

Price GD (ed) (2007) Mineral Physics. Treatise on Geophysics (Schubert G (editor in chief)), 2, pp 642.

Takada A, Richet P, Catlow CRA, Price GD (2007) A molecular dynamics simulation of complex structural changes in amorphous silica at high temperatures. PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, 48, 182-187.

Alfredsson M, Cora F, Dobson DP, Davy J, Brodholt JP, Parker, SC, Price, GD (2007) Dopant control over the crystal morphology of ceramic materials. SURFACE SCIENCE, 601, 4793-4800.

Alfe, D; Gillan, MJ; Price, GD (2007)Temperature and composition of the Earth's core. CONTEMPORARY PHYSICS, 48, 63-80.


2008

Takada A, Richet P, Catlow CRA, Price GD (2008) Molecular dynamics simulation of temperature-induced structural changes in cristobalite, coesite and amorphous silica. JOURNAL OF NON-CRYSTALLINE SOLIDS, 354, 181-187.

Ono, S; Brodholt, JP; Price, GD (2008) Structural phase transitions in IrO2 at high pressures. JOURNAL OF PHYSICS-CONDENSED MATTER, 20, Article Number: 045202.

Ono, S; Brodholt, JP; Alfe, D, Price GD (2008) Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl .JOURNAL OF APPLIED PHYSICS, 103, Article Number: 023510.

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