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Group by: Type | Date
Number of items: 54.
Article
Cote, AS;
Vocadlo, L;
Brodholt, JP;
(2012)
Ab initio simulations of iron-nickel alloys at Earth's core conditions.
Earth and Planetary Science Letters
, 345-34
126 - 130.
10.1016/j.epsl.2012.06.025.
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Cote, AS;
Vocadlo, L;
Brodholt, JP;
(2008)
Light elements in the core: Effects of impurities on the phase diagram of iron.
Geophysical Research Letters
, 35
(5)
, Article L05306. 10.1029/2007GL032788.
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Dobson, D;
Hunt, S;
Ahmed, J;
Lord, O;
Wann, E;
Santangeli, J;
Wood, IG;
... Mezouar, M; + view all
(2016)
The phase diagram of NiSi under the conditions of small planetary interiors.
Physics of the Earth and Planetary Interiors
, 261
pp. 196-206.
10.1016/j.pepi.2016.10.005.
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Dobson, D;
Lindsay-Scott, A;
Hunt, S;
Bailey, E;
Wood, I;
Brodholt, J;
Vocadlo, L;
(2019)
Anisotropic diffusion creep in postperovskite provides a new model for deformation at the core−mantle boundary.
Proceedings of the National Academy of Sciences of USA
, 116
(52)
pp. 26389-26393.
10.1073/pnas.1914826116.
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Dobson, DP;
Crichton, WA;
Bouvier, P;
Vocadlo, L;
Wood, IG;
(2003)
The equation of state of CsCl-structured FeSi to 40 GPa: Implications for silicon in the Earth's core.
Geophysical Research Letters
, 30
(1)
, Article 1014. 10.1029/2002GL016228.
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Edgington, AL;
Vočadlo, L;
Stixrude, L;
Wood, IG;
Dobson, DP;
Holmström, E;
(2019)
The top-down crystallisation of Mercury's core.
Earth and Planetary Science Letters
, 528
, Article 115838. 10.1016/j.epsl.2019.115838.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Brand, HEA;
Knight, KS;
(2007)
Crystal structures and thermal expansion of alpha-MgSO4 and beta-MgSO4 from 4.2 to 300 K by neutron powder diffraction.
Journal of Applied Crystallography
, 40
(4)
761 - 770.
10.1107/S0021889807029937.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Knight, KS;
Marshall, WG;
Tucker, MG;
Fernandez-Alonso, F;
(2009)
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2 GPa.
Journal of Applied Crystallography
, 42
(5)
pp. 846-866.
10.1107/S0021889809027897.
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Hirose, K;
Wood, B;
Vočadlo, L;
(2021)
Light elements in the Earth’s core.
Nature Reviews Earth & Environment
, 2
(9)
pp. 645-658.
10.1038/s43017-021-00203-6.
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Hunt, SA;
Wann, ETH;
Dobson, DP;
Vočadlo, L;
Wood, IG;
(2017)
The thermal expansion of (Fe1-y Ni y )Si.
Journal of Physics: Condensed Matter
, 29
(33)
, Article 335701. 10.1088/1361-648X/aa797d.
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Jakymiw, C;
Vočadlo, L;
Dobson, DP;
Bailey, E;
Thomson, AR;
Brodholt, JP;
Wood, IG;
(2017)
The phase diagrams of KCaF3 and NaMgF3 by ab initio simulations.
Physics and Chemistry of Minerals
10.1007/s00269-017-0920-3.
(In press).
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Li, Q;
Sun, T;
Zhang, Y-G;
Xian, J-W;
Vočadlo, L;
(2021)
Atomic transport properties of liquid iron at conditions of planetary cores.
The Journal of Chemical Physics
, 155
(19)
, Article 194505. 10.1063/5.0062081.
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Li, Qing;
Xian, Jia‐Wei;
Zhang, Yigang;
Sun, Tao;
Vočadlo, Lidunka;
(2022)
Thermal Properties of Liquid Iron at Conditions of Planetary Cores.
Journal of Geophysical Research: Planets
, 127
(4)
, Article e2021JE007015. 10.1029/2021je007015.
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Li, Y;
Guo, X;
Vočadlo, L;
Brodholt, JP;
Ni, H;
(2022)
The effect of water on the outer core transport properties.
Physics of the Earth and Planetary Interiors
, 329-33
, Article 106907. 10.1016/j.pepi.2022.106907.
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Li, Y;
Vočadlo, L;
Edgington, A;
Brodholt, JP;
(2021)
Equation of state for CO and CO₂ fluids and its application on decarbonation reactions at high pressure and temperature.
Chemical Geology
, 559
, Article 119918. 10.1016/j.chemgeo.2020.119918.
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Li, Yunguo;
Vočadlo, Lidunka;
Brodholt, John P;
(2022)
ElasT: A toolkit for thermoelastic calculations.
Computer Physics Communications
, 273
, Article 108280. 10.1016/j.cpc.2021.108280.
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Li, Y;
Vočadlo, L;
Alfè, D;
Brodholt, J;
(2019)
Carbon partitioning between the Earth's inner and outer core.
Journal of Geophysical Research: Solid Earth
, 124
(12)
pp. 12812-12824.
10.1029/2019jb018789.
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Li, Y;
Vocadlo, L;
Alfe, D;
Brodholt, J;
(2018)
Mg partitioning between solid and liquid iron under extreme conditions.
Physics of the Earth and Planetary Interiors
, 274
pp. 218-221.
10.1016/j.pepi.2017.12.003.
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Li, Y;
Vocadlo, L;
Brodholt, J;
(2018)
The elastic properties of hcp-Fe alloys under the conditions of the Earth's inner core.
Earth and Planetary Science Letters
, 493
pp. 118-127.
10.1016/j.epsl.2018.04.013.
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Li, Y;
Vocadlo, L;
Brodholt, J;
Wood, I;
(2016)
Thermoelasticity of Fe7C3 under inner-core conditions.
Journal of Geophysical Research
, 121
(8)
pp. 5828-5837.
10.1002/2016JB013155.
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Li, Y;
Vocadlo, L;
Sun, T;
Brodholt, J;
(2020)
The Earth’s core as a reservoir of water.
Nature Geoscience
, 13
pp. 453-458.
10.1038/s41561-020-0578-1.
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Lord, OT;
Thomson, AR;
Wann, ETH;
Wood, IG;
Dobson, DP;
Vocadlo, L;
(2015)
The equation of state of the Pmmn phase of NiSi.
Journal of Applied Crystallography
, 48
pp. 1914-1920.
10.1107/S1600576715020087.
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Martorell, B;
Vocadlo, L;
Brodholt, J;
Wood, IG;
(2013)
Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions.
Science
, 342
(6157)
466 - 468.
10.1126/science.1243651.
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Martorell, B;
Wood, IG;
Brodholt, J;
Vocadlo, L;
(2016)
The elastic properties of hcp-Fe1-xSix at Earth’s inner-core conditions.
Earth and Planetary Science Letters
, 451
pp. 89-96.
10.1016/j.epsl.2016.07.018.
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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)
, Article L06303. 10.1029/2005GL024276.
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Pamato, MG;
Li, Y;
Antonangeli, D;
Miozzi, F;
Morard, G;
Wood, IG;
Vočadlo, L;
... Mezouar, M; + view all
(2020)
Equation of State of hcp Fe‐C‐Si Alloys and the Effect of C Incorporation Mechanism on the Density of hcp Fe Alloys at 300 K.
Journal of Geophysical Research: Solid Earth
, 125
(12)
, Article e2020JB020159. 10.1029/2020jb020159.
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Pamato, MG;
Wood, IG;
Dobson, DP;
Hunt, SA;
Vocadlo, L;
(2018)
The thermal expansion of gold: point defect concentrations and pre-melting in a face-centred cubic metal.
Journal of Applied Crystallography
, 51
(2)
pp. 470-480.
10.1107/S1600576718002248.
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Sun, T;
Brodholt, JP;
Li, Y;
Vocadlo, L;
(2018)
Melting properties from ab initio free energy calculations: Iron at the Earth's inner-core boundary.
Physical Review B
, 98
(22)
, Article 224301. 10.1103/PhysRevB.98.224301.
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Vocadlo, L;
Alfe, D;
(2002)
Ab initio melting curve of the fcc phase of aluminum.
PHYS REV B
, 65
(21)
, Article 214105. 10.1103/PhysRevB.65.214105.
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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
, 26
(9)
1231 - 1234.
10.1029/1999GL900214.
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Vocadlo, L;
Wood, IG;
Alfe, D;
Price, GD;
(2008)
Ab initio calculations on the free energy and high P-T elasticity of face-centred-cubic iron.
EARTH PLANET SC LETT
, 268
(3-4)
444 - 449.
10.1016/j.epsl.2008.01.043.
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Wang, W;
Li, Y;
Brodholt, JP;
Vočadlo, L;
Walter, MJ;
Wu, Z;
(2021)
Strong shear softening induced by superionic hydrogen in Earth's inner core.
Earth and Planetary Science Letters
, 568
, Article 117014. 10.1016/j.epsl.2021.117014.
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Wann, ETH;
Vocadlo, L;
Wood, IG;
(2017)
High-temperature ab initio calculations on FeSi and NiSi.
Physics and Chemistry of Minerals
, 44
(7)
pp. 477-484.
10.1007/s00269-017-0875-4.
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Wood, I.G.;
Vocadlo, L.;
Knight, K.S.;
Dobson, D.P.;
Marshall, W.G.;
Price, G.D.;
Brodholt, J.;
(2004)
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600K determined by time-of-flight neutron powder diffraction.
Journal of Applied Crystallography
, 37
(1)
pp. 82-90.
10.1107/S0021889803024695.
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Wood, IG;
Vocadlo, L;
Dobson, DP;
Price, GD;
Fortes, AD;
Cooper, FJ;
Neale, JW;
... McCammon, CA; + view all
(2008)
Thermoelastic properties of magnesiowustite, (Mg1-xFex)O: determination of the Anderson-Gruneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures.
Journal of Applied Crystallography
, 41
(5)
pp. 886-896.
10.1107/S0021889808025417.
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Proceedings paper
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Brand, HEA;
Fortes, AD;
Wood, IG;
Alfredsson, M;
Vocadlo, L;
(2006)
High pressure properties of planetary sulphate hydrates determined from interatomic potential calculations.
In:
(pp. 1310-).
Lunar and Planetary Institue: Houston, US.
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Brand, HEA;
Middleton, CA;
Grindrod, PM;
Fortes, AD;
Wood, IG;
Vocadlo, L;
(2008)
Modelling of gypsum and ice diapirs in the martian crust.
In:
Lunar and Planetary Science XXXIX: papers presented at the Thirty-ninth Lunar and Planetary Science Conference: March 10-14, 2008.
(pp. 1641 - 1641).
Lunar and Planetary Institute: Houston, US.
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Fortes, AD;
Wood, IG;
Knight, KS;
Brodholt, JP;
Alfredsson, M;
Vocadlo, L;
(2004)
Neutron diffraction studies of planetary ices.
In:
Lunar and Planetary Institute: Houston, US.
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Fortes, AD;
Wood, IG;
Knight, KS;
Marshall, WG;
Brodholt, JP;
Alfredsson, M;
Vocadlo, L;
(2004)
New high-pressure phases of ammonia dihydrate.
In:
Lunar and Planetary Institute: Houston, US.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Brand, HEA;
Grindrod, PM;
Joy, KH;
Tucker, MG;
(2006)
The phase behaviour of epsomite (MgSO₄⋅7H₂O) to 50 kbar: planetary implications.
In:
Lunar and Planetary Institute: Houston, US.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Brodholt, JP;
Alfredsson, M;
Knight, KS;
Fernandez-Alonso, F;
(2005)
Investigating planetary ices with neutrons.
In:
European Geosciences Union 2nd General Assembly.
(pp. 01897 - ?).
Copernicus GmbH: Göttingen, Germany.
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Grindrod, PM;
Fortes, AD;
Wood, IG;
Sammonds, PR;
Dobson, DP;
Middleton, CA;
Vocadlo, L;
(2008)
Synthesis and strength of MgSO₄·11H₂O (meridianiite): preliminary results from uniaxial and triaxial deformation tests.
In:
(Proceedings) Lunar and Planetary Science XXXIX: papers presented at the Thirty-ninth Lunar and Planetary Science Conference: March 10-14, 2008.
(pp. 1199-1 - 1199-2).
Lunar and Planetary Institute: Houston, US.
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Report
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Fortes, AD;
Wood, IG;
Alfredsson, M;
Vocadlo, L;
Brodholt, JP;
(2004)
The thermal expansivity of ice II.
(ISIS Experimental Reports
RB14058
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Marshall, WG;
Alfredsson, M;
Grindrod, PM;
Brodholt, JP;
Francis, DJ;
+ view all
(2003)
The structure, equation of state, and phase transitions of ammonia dihydrate polymorphs.
(ISIS Experimental Reports
RB13233
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Alfredsson, M;
(2004)
Ab initio solution of the crystal structure of magnesium sulfate dodecahydrate.
(ISIS Experiment Reports
RB15133
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Alfredsson, M;
(2004)
Characterization of the high-pressure phases of ammonia dihydrate.
(ISIS Experimental Reports
RB15134
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Alfredsson, M;
(2004)
The structure of ammonia dihydrate, phase II.
(ISIS Experimental Reports
RB14885
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Alfredsson, M;
(2004)
The thermal expansion and incompressibility of epsomite.
(ISIS Experimental Reports
RB14491
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Brand, HEA;
(2005)
The structure and thermal expansivity of D2SO4.6.5D2O and D2SO4.8D2O.
(ISIS Experimental Reports
RB20047
).
CCLRC: Didcot, UK.
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Fortes, AD;
Wood, IG;
Vocadlo, L;
Brodholt, JP;
Alfredsson, M;
(2003)
The structure and compressibility of ammonia dihydrate phases I and II.
(ISIS Experimental Reports
RB13234
).
CCLRC: Didcot, UK.
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Conference item
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Fortes, AD;
Brodholt, JP;
Vocadlo, L;
(2008)
Ab initio approaches to the physical properties of planetary ices.
Presented at: The Science of Solar System Ices (ScSSI): A Cross-Disciplinary Workshop 2008, Oxnard, California, US.
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Poster
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Brand, HEA;
Fortes, AD;
Knight, KS;
Wood, IG;
Vocadlo, L;
(2008)
Thermoelastic properties of mirabilite and meridianiite determined using experimental and computational techniques.
Presented at: The Science of Solar System Ices (ScSSI): A Cross-Disciplinary Workshop 2008, Oxnard, California.
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Grindrod, PM;
Fortes, AD;
Wood, IG;
Sammonds, PR;
Dobson, DP;
Middleton, CA;
Vocadlo, L;
(2008)
Experimental rheology of planetary ices: triaxial deformation tests on MgSO₄·11H₂O (meridianiite).
Presented at: The Science of Solar System Ices (ScSSI): A Cross-Disciplinary Workshop 2008, Oxnard, California.
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Middleton, CA;
Sammonds, PR;
Grindrod, PM;
Fortes, AD;
Vocadlo, L;
(2008)
The rheology of ice-rock mixtures – application to the satellites of the outer solar system.
Presented at: The Science of Solar System Ices (ScSSI): A Cross-Disciplinary Workshop 2008, Oxnard, California.
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