Prof. G. David Price
Professor of Mineral Physics
1974
[1] Chamberlain, J, MN Afsar,
DK Murry, GD Price and MS Zafar, 1974 Sub-millimetre-wave dielectric
measurements on adsorbing materials IEEE Instr IM-23, 483-488
1975
[2] Birch, JR, RJ Cook, AF
Harding, RG Jones and GD Price, 1975 Optical constants of ordinary glass from
029 to 400 cm-1 JPhys D8, 1353-1358
1976
[3] Birch, JR, GD Price
and J Chamberlain, 1976 Dispersive Fourier transform measurements on opaque
solids from 5 to 350 cm-1 InfrarPhys 16,
311-315
1979
[4] Putnis, A and GD
Price, 1979 High pressure (Mg,Fe)2SiO4 phases in the
Tenham chondritic meteorite Nature, 280, 217-218
[5] Price, GD, 1979
Microstructures in titanomagnetites as a guide to cooling rates of a Swedish
intrusion Geol Mag 116, 313-318
[6] Price, GD and A
Putnis, 1979 Oxidation phenomena in pleonaste bearing titanomagnetites Contribs
Min Petrol 69, 355-359
[7] Putnis, A and GD
Price, 1979 The nature and significance of exsolved phases in some chrome
spinels from the Rhum layered intrusion Mineral Mag 43, 519-526
[8] Price, GD, A Putnis
and SO Agrell, 1979 Electron petrography of shock veins in the Tenham chondrite
Contribs Min Petrol 71, 211-218
1980
[9] Price, GD, 1980
Microstructures in titanomagnetite Geol Mag 117, 386-387
[10] Price, GD, 1980
Exsolution microstructures in titanomagnetites, and their magnetic significance Phys Earth Planet Interiors 23, 1-12
1981
[11] Price, GD, 1981
Diffusion in the titanomagnetite solid solution series Mineral Mag 44, 195-200
[12] Price, GD, 1981
Subsolidus phase relations in the titanomagnetite solid solution series Amer
Mineral 66, 751-758
[13] Price, GD, JJ
Pluth, JV Smith, T Araki and JM Bennett, 1981 Crystal structure of
tetrapropylammonium fluoride-silicalite Nature, 292,
818-819
[14] Burdett, JK, GD
Price, SL Price, 1981 The factors influencing solid state structures - an
analysis using pseudopotential radii structural maps Phys
Rev B 24, 2903-2912
1982
[16] Burdett, JK, GD
Price and SL Price, 1982 Does the crystal field theory really work for spinels?
J Amer Chem Soc 104, 92-94
[17] Burdett, JK, SL
Price and GD Price, 1982 The factors influencing solid state structures - a
modern Mendeleyevian answer Solid State Comm 40, 923-926
[18] Gellens,LR, GD
Price and JV Smith, 1982 The structural relationship between svetlozarite and
dachiardite Mineral Mag 45, 157-161
[19] Price, GD, SL
Price and JK Burdett, 1982 The factors influencing cation site-preferences in
spinels Phys Chem Mineral 8, 69-76
[20] Price, GD, JJ Pluth,
JV Smith and JM Bennett, 1982
[21] Price, GD, A
Putnis and DGW Smith, 1982 A mechanism for the spinel to beta-phase
transformation in the (Mg,Fe)2SiO4 system Nature, 296,
729-731
1983
[22]
Price, GD, A Putnis, SO Agrell and DGW Smith, 1983 Wadsleyite, natural
beta-(Mg,Fe)2SiO4 from the Peace River Meteorite Can
Mineral 21, 29-35
[23] Price, GD 1983 The
nature and significance of stacking faults in wadsleyite, natural beta-(Mg,Fe)2SiO4
from the
[24] Price, GD, 1983
Polytypism and the stability of spinelloid structures Phys
Chem Mineral 10, 77-83
1984
[25] Angel, RJ, GD
Price and A Putnis, 1984 A mechanism for pyroxene - pyroxenoid and pyroxenoid -
pyroxenoid transformations Phys Chem Mineral 10,
236-243
[26]
Price, GD and SC Parker, 1984 Computer simulations of the Structural and
physical properties of the olivine and spinel polymorphs of Mg2SiO4
Phys Chem Mineral 10, 209-216
[27] Price, GD and J
Yeomans, 1984 The application of the ANNNI model to polytypic behaviour Acta Cryst B40, 448-454
1985
[28] Price, GD, SC
Parker and J Yeomans, 1985 The energetics of polytypic structures: a computer
simulation of Mg2SiO4 spinelloids Acta
Cryst B41, 231-239
[29] Parker, SC and GD Price, 1985 A study of the
structures and energetics of magnesium silicates Physica, B131, 290-299
[30] Cormack, AN and GD Price, 1985 Vacancy ordering in
maghemite In: Reactivity of Solids 10 (ed P Barret and LC Dufour), Material
Science Monograph 28, Elsevier
[31] Angel, RC, GD Price and J Yeomans, 1985 The
energetics of polytypic structures: further applications of the ANNNI model Acta Cryst B41, 310-319
1986
[32] Catlow CRA, M Doherty, GD Price, M Sanders and SC
Parker 1986 Computer simulations of silicates In: Kinetics and mass transport
in silicates and oxides (eds R Freer and P Dennis) Materials science Forum, 7,
163-176 Trans tech publications
[33] Price, GD and J Yeomans, 1986 A model for
polysomatism Mineral Mag, 50, 149-156
[34] Yeomans, J and GD Price, 1986 An
equilibrium theory for polytypism Bull Min 109, 3-13
[35] Wall, A, GD Price and SC Parker, 1986 A computer
simulation of the structure and elastic properties of MgSiO3
perovskite Mineral Mag, 50, 693-707
1987
[36] Price, GD, SC Parker and M Leslie,
1987 The lattice dynamics of forsterite Mineral Mag, 51, 157-170
[37] Price, GD, SC Parker and M Leslie, 1987 The lattice
dynamics and thermodynamics of the Mg2SiO4 polymorphs Phys Chem Minerals, 15, 181-190
1988
[38] Price, GD and SC Parker 1988 The computer simulation
of the lattice dynamics of silicates In Proceedings of NATO ASI on the physical
properties and thermodynamic behaviour of minerals (ed EKH Salje), Series C,
vol 225, 591-618
[39]
[40] Weidner, DJ and GD Price 1988 The role of three body
forces in simple oxides and olivines Phys Chem
Minerals, 16, 42-50
[41] Wall, A and GD Price 1988 A computer simulation of
the structural, lattice dynamical and thermodynamic properties of MgSiO3
ilmenite Amer Mineral, 73, 224-231
[42] Price, GD and J Yeomans, 1988 Competing interactions
and the origins of polytypism In: Competing interactions and microstructures
(eds R LeSar, A Bishop and R Heffner) Springer proceedings in Physics, 27,
60-73
[43] Price, GD, 1988 Mineral physics modelling of mantle
minerals Fourth EGT workshop: the upper mantle (eds B Dost and G Nolet) 27-36
European Science Foundation,
1989
[44] Akporiaye, D and GD Price 1989 The systematic
enumeration of zeolite frameworks Zeolite, 9, 23-32
[45] Price, GD, AWall and SC Parker, 1989 The properties
and behaviour of mantle mineral: a computer simulation approach Phil Trans Roy Soc Lond, A328, 391-407
[46] Akporiaye, D and GD Price, 1989 The relative
stability of zeolite frameworks from calculated energetics of known and
theoretical structures Zeolite, 9, 321-328
[47] Parker, SC and GD Price, 1989 Computer modelling of
phase transitions in minerals In: Advances in solid state chemistry (ed CRA
Catlow), 1, 295-327
[48] Wall, A and GD Price, 1989 Defects and diffusion in
MgSiO3 perovskite In: Perovskites, a structure of great interest to
geophysics and materials science (eds A Navrotsky and DJ Weidner) Geophysical
monograph 45, 45-53 AGU, Washington
[49] Madon, M and GD Price, 1989 Infrared spectroscopy of
the polymorphic series (enstatite, ilmenite and perovskite) of MgSiO3,
MgGeO3 and MnGeO3 J Geophys Res, 94, 15687-15701
[50] Wright, K, and GD Price, 1989 Computer simulations
of iron in magnesium silicate perovskite Geophys Research Letters, 16,
1399-1402
1990
[51] Wall, A and GD Price, 1990 Electrical conductivity
of the lower mantle: a molecular dynamics simulation of MgSiO3
perovskite Phys Earth Planet Interiors, 58, 192-204
[52] Parker, SC, and GD Price, 1990 Computer modelling of
the structure and thermodynamic properties of silicate minerals In: Computer
modelling of fluids, polymers and solids (eds CRA Catlow and SC Parker) NATO
ASI Series C, 293, 405-430
[53]
[54] Catlow, CRA, and GD Price, 1990 Computer modelling
of solid-state inorganic materials Nature, 347,
243-248
[55] Reynard, B and GD Price, 1990 Thermal expansion of
mantle minerals at high pressures - a theoretical study Geophys Res Letts, 17,
689-692
[56] Bertram, UC, V Heine, IL Jones, and GD Price, 1990
Computer modelling of Al/Si ordering in sillimanite Phys
Chem Minerals, 17, 326-333
1991
[57] Madon, M, P, Gillet, C Julien and GD Price, 1991 A
vibrational study of phase transitions among the GeO2 polymorphs Phys Chem Minerals, 18, 7-18
[58] Patel, A, MJ Mendelssohn and GD Price 1991 Free
energy simulations of silicates Phys Chem Mineral, 17,
690-699
[59] Matsui M and GD Price 1991 Simulation of the
pre-melting behaviour of MgSiO3 perovskite at high pressures and
temperatures Nature, 351, 735-737
1992
[60] Poirier, JP and GD Price 1992 Dislocation melting of
metals Phys Earth Planet Ints, 69, 153-162
[61] Price, GD, IG Wood and D Akporiaye 1992 The
prediction of zeolite structures In: Modelling of structure and reactivity in
zeolites (eds CRA Catlow) Academic Press,
[62] Padlewski S, V Heine and GD Price 1992 Atomic
ordering around oxygen vacancies in sillimanite: A model for the mullite
structure Phys Chem Minerals, 18, 373-378
[63] Matsui M, and GD Price 1992 Computer simulation of
the MgSiO3 polymorphs Phys Chem Minerals,
18, 365-372
[64] Reynard, B, GD Price and P Gillet 1992 Thermodynamic
and anharmonic properties of forsterite: computer simulations vs high pressure
and high temperature measurements J Geophys Res, 97 19791-19801
[65] Padlewski S, V Heine and GD Price 1992 The
energetics of interaction between oxygen vacancies in sillimanite: A model for
origin of the incommensurate structure of mullite Phys
Chem Mineral, 19 196-202
[66] Wood, IG and GD Price 1992 A
simple systematic method for the generation of periodic, 2-dimensional,
3-connected nets for the description of zeolite frameworks Zeolites, 12, 320-327
[67] Ross NL, and GD Price 1992 An introduction to the factors that determine
the stability of minerals In (GD Price and NL Ross eds) The Stability of
Minerals Chapman Hall,
[68] Price GD, and NL Ross 1992 The Stability of Minerals
Chapman Hall,
[69] Wright KV, GD Price and JP Poirier 1992 High
temperature creep of the perovskites CaTiO3 and NaNbO3
Phys Earth Planet Interiors, 74, 9-22
[70] Pavese A, M Catti, GD Price and RA Jackson 1992
Interatomic potentials for CaCO3 polymorphs (calcite and aragonite)
fitted to elastic and vibrational data Phys Chem
Minerals, 19, 80-87
[71] Chandley P, RJH Clark, RJ Angel, GD Price 1992 An
investigation of the site preference of Vanadium doped into ZrSiO4
and ZrGeO4 Dalton Proceedings of the Royal Chem Soc 1579-1584
[72] Jackson RA, GD Price 1992 A transferable interatomic
potential for calcium carbonate Molecular Simulation, 9, 175-177
1993
[73] Padlewski S, V Heine and GD Price 1993 A microscopic
model for a very stable incommensurate modulated structure: mullite J Phys Con Matter , 5, 3417-3430.
[74] Catti M, A Pavese and GD Price 1993 Thermodynamic
properties of CaCO3 calcite and aragonite: a quasi-harmonic
calculation Phys Chem Minerals, 19, 472-479
[75] Nada R, J Stuart, GD Price, CRA Catlow and R Dovesi
1993 Comparative study of all-electron and core pseudo-potential basis sets for
periodic ab initio Hartree-Fock calculations: the case of MgSiO3-ilmenite
J Phys Chem Solids, 54, 281-287
[76] Wentzcovitch RM, JL Martins and GD Price 1993 Ab
initio molecular dynamics with variable cell shape: application to MgSiO3.
Phys Rev Letts, 70, 3947-3950.
[77] Gillet P, F Guyot, GD Price, B Tounerie, and A
LeCleach 1993 Phase changes and thermodynamic properties of CaTiO3.
Spectroscopic data, vibrational modelling and some insights on the properties
of MgSiO3 perovskite. Phys Chem Minerals,
20, 159-170.
[78] Wright KV, GD Price (1993)
Computer simulation of defects and diffusion in perovskite JGR, 98,
22245-22253.
1994
[79] Matsui, M, GD Price and A Patel (1994) Comparison
between the lattice dynamics and molecular dynamics methods: calculation results
for MgSiO3 perovskite. Geophy Res Letts, 15, 1659-1662.
[80] Vocadlo, NL and GD Price (1994) The Gruneisen
parameter - computer calculations via lattice dynamics. Phys
Earth Planet Inters, 82, 261-270.
[81] Ferneyhough, R, D Fincham, GD Price and MJ Gillan
(1994) The melting of MgO studied by molecular dynamics simulation. Modelling
Simul Mat Sci and Eng, 2, 1101-1110.
1995
[82]Wentzcovitch, RM, NL Ross and GD Price (1995) Ab
initio study of MgSiO3 and CaSiO3 perovskite at lower
mantle pressures. Physics of the earth and planetary
interiors, 90, 101-112.
[83] Vocadlo, NL, A Wall, SC Parker
and GD Price (1995) Absolute ionic diffusion in MgO - computer calculations via
lattice dynamics. Physics of the earth and planetary
interiors, 88, 193-210.
[85] Takada, A, CRA Catlow, JS Lin, GD Price, MH Lee, V
Milman, and MC Payne (1995) Ab initio total energy pseudopotential calculations
for polymorphic B2O3 crystals. Phys
Rev B, 51,1447-1455.
[86] Jaoul, O, Y Bertran-Alvarez, RC Liebermann, GD Price
(1995) Fe-Mg interdiffusion in olivine up to 9 GPa at T=600-900oC.
Experimental data and comparison with defect calculations. Physics of the earth and planetary interiors, 89,
199-218.
[87] Vocadlo, NL, A Patel and GD Price (1995) Molecular
dynamics: some recent developments in classical and quantum mechanical
simulation of minerals. Min Mag, 59, 597-605.
[88] Wentzcovitch, RM, DA Hugh-Jones, RJ Angel and GD
Price (1995) Ab initio study of MgSiO3 C2/c enstatite. Phys Chem Minerals, 22, 453-460.
[89] Wentzcovitch, RM, and GD Price (1995) High pressure
studies of mantle minerals by ab initio variable cell shape molecular dynamics.
In: Modelling of minerals and silicate materials (eds B Silvi and P D'Arco),
Kluwer,
[90] Wood IG, Chaplin TD, David WIF, Hull S, Price GD,
Street JN (1995) Compressibility of FeSi between 0 and 9 GPa, determined by
high-pressure time-of-flight neutron powder diffraction. Journal of physics-condensed matter, 7, L475-l 479.
[91] Takada, A, CRA Catlow and GD Price (1995) Computer
modelling of B2O3 Part 1: New interatomic potentials,
crystalline phases and predicted polymorphs. Journal
of physics-condensed matter, 7, 8659-8692.
[92] Takada, A, CRA Catlow and GD Price (1995) Computer
modelling of B2O3 Part 2: Molecular dynamics simulations
of vitreous structures. Journal of physics-condensed
matter, 7, 8693-8722.
[93] Genge MJ, Jones AP, Price GD (1995) An infrared and
raman-study of carbonate glasses - implications for the structure of
carbonatite magmas. Geochimica et cosmochimica acta,
59, 927-937
[94] Genge MJ, Price GD, Jones AP (1995)
Molecular-dynamics simulations of CaCO3 melts to mantle pressures
and temperatures - implications for carbonatite magmas.
Earth and planetary science letters, 131, 225-238.
[95] Jackson RA, Meenan PA, Price GD, Roberts KJ, Telfer
GB, Wilde PJ (1995) Deriving empirical potentials for molecular ionic
materials. Mineralogical magazine, 59, 617-622.
1996
[96] Vocadlo L, Price GD (1996) The
melting of MgO - computer calculations via molecular-dynamics. Physics and chemistry of minerals, 23, 42-49.
[97] Wood IG, David WIF, Hull S, Price GD (1996) A
high-pressure study of epsilon-FeSi, between 0 and 8.5 GPa, by time-of-flight
neutron powder diffraction. Journal of applied
crystallography, 29, 215-218.
[98] Stuart, JA and GD Price (1996) Atomistic potentials
for MgSiO3 with the orthorhombic perovskite structure. Phil Mag, 73,
41-48.
[99] Patel A, Price GD, Matsui M, Brodholt JP, Howarth RJ
(1996) A computer simulation approach to the high pressure thermoelasticity of
MgSiO3 perovskite. Physics of the earth and
planetary interiors, Vol.98, No.1-2, pp.55-63
[100] Besson P, Poirier JP, Price GD (1996) Dislocations
in CaTiO3 perovskite deformed at high-temperature - a transmission
electron-microscopy study. Physics and chemistry of
minerals, 23, 337-344
[101] Price GD, Vocadlo L (1996) Computational
mineralogy. Comptes rendus de l academie des sciences serie ii fascicule a-
sciences de la terre et des planetes, 323, 357-371
1997
[102]
[103] Pereira JCG, Catlow CRA, Price GD, Almeida RM
(1997) Atomistic modeling of silica based sol-gel processes. Journal of sol-gel science and technology, Vol.8, No.1-3,
pp.55-58
[104] Takada A, Catlow CRA, Price GD, Hayward CL (1997)
Periodic ab initio Hartree-Fock study of trigonal and orthorhombic phases of
boric oxides. Physics And
Chemistry Of Minerals, Vol.24, No.6, pp.423-431
[105] Mendelssohn MJ, Price GD (1997) Computer modelling
of a pressure induced phase change in clinoenstatite pyroxenes. Physics And
Chemistry Of Minerals, Vol.25, No.1, pp.55-62.
[106] Street JN, Wood IG, Knight KS, Price GD (1997) The
influence of thermal vibrations on the average structure of cubic NaMgF3
perovskite: a combined molecular dynamics and neutron diffraction study. Journal Of
Physics-Condensed Matter, Vol.9, No.50, pp.L647-L655.
[107] Vocadlo L, deWijs GA, Kresse G, Gillan MJ, Price GD
(1997) First principles calculations on crystalline and liquid iron at Earth's
core conditions. Faraday
Discussions, No.106, pp.205-217
1998
[108] deWijs GA, Kresse G, Vocadlo L, Dobson
D, Alfe D, Gillan MJ, Price GD (1998) The viscosity of liquid iron at the
physical conditions of the Earth's core. Nature
Vol.392, No.6678, pp.805-807
[109] Pereira JCG, Catlow CRA, Price GD (1998) Silica
condensation reaction: an ab initio study. Chemical
Communications, No.13, pp.1387-1388
[110] Chaplin T, Price GD, Ross NL (1998) Computer simulation
of the infrared and Raman activity of pyrope garnet, and assignment of
calculated modes to specific atomic motions. American
Mineralogist, Vol.83, No.7-8, pp.841-847
1999
[111] Poirier JP, Price GD (1999) Primary slip
system of epsilon-iron and anisotropy of the Earth's inner core. Physics Of
The Earth And Planetary Interiors, Vol.110, No.3-4, pp.147-156.
[112] Alfe D, Price GD, Gillan MJ (1999) Oxygen in the
Earth's core: a first-principles study. Physics Of
The Earth And Planetary Interiors, Vol.110, No.3-4, pp.191-210
[113] Vocadlo L, Price GD, Wood IG (1999) Crystal
structure, compressibility and possible phase transitions in epsilon-FeSi
studied by first-principles pseudopotential calculations. Acta
Crystallographica Section B-Structural Science, Vol.55, No.Pt4, pp.484-493
[114] Pereira JCG, Catlow CRA, Price GD (1999) Ab initio
studies of silica-based clusters.
[115] Pereira JCG, Catlow CRA, Price GD (1999) Ab initio
studies of silica-based clusters. Part II. Structures and energies of complex
clusters. Journal Of Physical Chemistry A, Vol.103,
No.17, pp.3268-3284
[116] Vocadlo L, Brodholt J, Alfe D, Price GD, Gillan MJ
(1999) The structure of iron under the conditions of the Earth's inner core. Geophysical
Research Letters, Vol.26, No.9, pp.1231-1234
[117] Vocadlo L, Price GD (1999) The modelling of bulk
diffusion in solids, In: Microscopic Properties and Processes in Minerals (Eds
K Wright and CRA Catlow), Kluwer Academic Publishers, p 323-336.
[118] Vocadlo L, Price GD (1999) The theory and
simulation of the melting of minerals, In: Microscopic Properties and Processes
in Minerals (Eds K Wright and CRA Catlow), Kluwer Academic Publishers, p
561-576.
[119] Alfe D, Gillan MJ, Price GD (1999) The melting
curve of iron at the pressures of the Earth's core from ab initio calculations.
Nature,
Vol.401, No.6752, pp.462-464.
2000
[120] 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.
[121] 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.
[122] Vocadlo L, Poirer JP, and Price GD (2000) Gruneisen
parameters and isothermal equations of state. American
Mineralogist, 85, (2) 390-395.
[123] 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.
[124]
[125] 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.
[126]
[127] Alfe, D, Price,
GD, Gillan, MJ (2000) Thermodynamic stability of Fe/O solid solution at
inner-core conditions. Geophysical Research Letters,
27, 2417- 2420.
[128] 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.
[129] 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
[130]Alfe, D, Price, GD, Gillan, MJ (2001)
Thermodynamics of hexagonal-close-packed iron under Earth's core conditions. Physical Review B, 6404, 5123
[131]
[132] 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.
[133] 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.
[134] Martin, P, Price, GD, Vocadlo, L (2001)
An ab initio study of the relative stabilities and equations of state of
[135] 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.
[136]
[137]
2002
[138] 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.
[139] 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.
[140] 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.
[141] 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.
[142] Alfe, D, Gillan, MJ, Price, GD (2002) Complementary approaches to the ab
initio calculation of melting properties. J Chemical
Physics, 116, 6170-6177.
[143] 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.
[144] 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.
[145] 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.
[146] 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.
[147] 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.
[148] 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
[149]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.
[150] 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.
[151] 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
[152] 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.
[153] 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.
[154]
[155] 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.
[156] 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.
[157] Takada A, Catlow CRA, Price GD (2003) 'Computer synthesis'
of B2O3 polymorphs. Phys Chem Glasses 44: 147-149.
[158] 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.
[159] 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
[160] 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.
[161] 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.
[162] 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.
[163] 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.
[164] Alfe D, Vocadlo L, Price GD, Gillan MJ (2004) Melting
curve of materials: theory versus experiments. J Phys-Condens Mat 16: S973-S982
[165]
Alfe D, Price GD, Gillan MJ
(2004) The melting curve of iron from quantum mechanics calculations. J Phys Chem Solids 65 : 1573-1580.
[166]
Martin, P., Vočadlo, L., Alfè, D., and Price, G. D. (2004) An Ab Initio
Study of the Relative Stabilities and Equations of State of
[167]
Takada A, Richet P, Catlow CRA, Price GD. (2004) Molecular dynamics simulations
of vitreous silica structures. J NON-CRYST SOLIDS
345-46: 224-229
[168]
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
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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
[170]
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.
[171]
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
[172]
[173]
Caracas R, Wentzcovitch R, Price GD,
Brodholt J (2005) CaSiO3 perovskite at lower mantle pressures. GEOPHYS RES LETT 32 (6): art. no. L06306
[174]
[175] 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.
[176] 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.
[177]
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.
[178] 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
[179]
[180] 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
[181]
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
[182]
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
[183]
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
[184]
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
[185]
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
[186]
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
[187]
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
[188]
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
[189]
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
[190]
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
[191]
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
[192]
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
[193]
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
[194]
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
[195]
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
[196]
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
[197]
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.
[198] Price GD (ed) (2007) Mineral Physics. Treatise on Geophysics (Schubert G (editor in chief)), 2, pp 642.
[199]
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.
[200]
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.
[201] Alfe, D; Gillan, MJ; Price, GD (2007)Temperature
and composition of the Earth's core. CONTEMPORARY PHYSICS,
48, 63-80.
2008
[202]
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.
[203]
Ono, S; Brodholt, JP; Price, GD (2008) Structural phase transitions in IrO2 at
high pressures. JOURNAL OF PHYSICS-CONDENSED MATTER, 20, Article
Number: 045202.
[204]
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.