Imperial College London

ProfessorRobinGrimes

Faculty of EngineeringDepartment of Materials

Professor of Materials Physics
 
 
 
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Contact

 

+44 (0)20 7594 6730r.grimes

 
 
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Location

 

B303cBessemer BuildingSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

352 results found

Bell BDC, Murphy ST, Grimes RW, Wenman MRet al., 2017, The effect of Nb on the corrosion and hydrogen pick-up of Zr alloys, ACTA MATERIALIA, Vol: 132, Pages: 425-431, ISSN: 1359-6454

JOURNAL ARTICLE

Fossati PCM, Grimes RW, 2017, Cation ordering and oxygen transport behaviour in Sr1-3x/2LaxTiO3 perovskites, JOURNAL OF MATERIALS CHEMISTRY A, Vol: 5, Pages: 5321-5331, ISSN: 2050-7488

JOURNAL ARTICLE

Hodgson APJ, Jarvis KE, Grimes RW, Marsden OJet al., 2017, Advances in the development of a dissolution method for the attribution of iridium source materials, JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, Vol: 311, Pages: 1193-1199, ISSN: 0236-5731

JOURNAL ARTICLE

Jackson ML, Burr PA, Grimes RW, 2017, Defect processes in Be12X (X = Ti, Mo, V, W), NUCLEAR FUSION, Vol: 57, ISSN: 0029-5515

JOURNAL ARTICLE

Kuganathan N, Ghosh PS, Arya AK, Dey GK, Grimes RWet al., 2017, Energetics of halogen impurities in thorium dioxide, Journal of Nuclear Materials, Vol: 495, Pages: 192-201, ISSN: 0022-3115

© 2017 Elsevier B.V. Defect energies for halogen impurity atoms (Cl, Br and I) in thoria are calculated using the generalized gradient approximation and projector augmented plane wave potentials under the framework of density functional theory. The energy to place a halogen atom at a pre-existing lattice site is the incorporation energy. Seven sites are considered: octahedral interstitial, O vacancy, Th vacancy, Th-O di-vacancy cluster (DV) and the three O-Th-O tri-vacancy cluster (NTV) configurations. For point defects and vacancy clusters, neutral and all possible defect charge states up to full formal charge are considered. The most favourable incorporation site for Cl is the singly charged positive oxygen vacancy while for Br and I it is the NTV1 cluster. By considering the energy to form the defect sites, solution energies are generated. These show that in both ThO 2-x and ThO 2 the most favourable solution equilibrium site for halides is the single positively charged oxygen vacancy (although in ThO 2 , I demonstrates the same solubility in the NTV1 and DV clusters). Solution energies are much lower in ThO 2-x than in ThO 2 indicating that stoichiometry is a significant factor in determining solubility. In ThO 2 , all three halogens are highly insoluble and in ThO 2-x Br and I remain insoluble. Although ½Cl 2 is soluble in ThO 2-x alternative phases such as ZrCl 4 exist which are of lower energy.

JOURNAL ARTICLE

Kuganathan N, Ghosh PS, Galvin COT, Arya AK, Dutta BK, Dey GK, Grimes RWet al., 2017, Fission gas in thoria, JOURNAL OF NUCLEAR MATERIALS, Vol: 485, Pages: 47-55, ISSN: 0022-3115

JOURNAL ARTICLE

Pavlov T, Vlahovic L, Staicu D, Konings RJM, Wenman MR, Van Uffelen P, Grimes RWet al., 2017, A new numerical method and modified apparatus for the simultaneous evaluation of thermo-physical properties above 1500 K: A case study on isostatically pressed graphite, THERMOCHIMICA ACTA, Vol: 652, Pages: 39-52, ISSN: 0040-6031

JOURNAL ARTICLE

Pavlov TR, Wenman MR, Vlahovic L, Robba D, Konings RJM, Van Uffelen P, Grimes RWet al., 2017, Measurement and interpretation of the thermo-physical properties of UO<inf>2</inf> at high temperatures: The viral effect of oxygen defects, Acta Materialia, Vol: 139, Pages: 138-154, ISSN: 1359-6454

© 2017 Acta Materialia Inc. Values are reported of specific heat, thermal conductivity and thermal diffusivity of UO 2 from 1500 K to 2900 K based on laser flash measurements. Experiment is complemented by the development of solid state physics models that aid in the interpretation of the results. Specific heat is shown to exhibit a smooth maximum at 2715 K ± 100 K, consistent with a competition between two processes - oxygen defect interactions (net attraction) and saturation of oxygen interstitial sites. The specific heat model and measurements show, for the first time that a gradual pre-melting transition is consistent with high temperature literature values – enthalpy increment measurements and independently measured high temperature oxygen defect concentrations. Thermal conductivity exhibits a minimum consistent with: 1) an increase in electronic thermal conductivity via polaron production and mobilization and 2) degradation in lattice thermal conductivity due to phonon - phonon scattering and phonon - defect scattering. It is predicted that the high concentration of oxygen defects should contribute significantly to electrical conductivity and thermal expansion at high temperatures.

JOURNAL ARTICLE

Pilania G, Whittle KR, Jiang C, Grimes RW, Stanek CR, Sickafus KE, Uberuaga BPet al., 2017, Using Machine Learning To Identify Factors That Govern Amorphization of Irradiated Pyrochlores, CHEMISTRY OF MATERIALS, Vol: 29, Pages: 2574-2583, ISSN: 0897-4756

JOURNAL ARTICLE

Valu SO, Benes O, Manara D, Konings RJM, Cooper MWD, Grimes RW, Gueneau Cet al., 2017, The high-temperature heat capacity of the (Th,U)O-2 and (U,Pu)O-2 solid solutions, JOURNAL OF NUCLEAR MATERIALS, Vol: 484, Pages: 1-6, ISSN: 0022-3115

JOURNAL ARTICLE

Bell BDC, Murphy ST, Burr PA, Comstock RJ, Partezana JM, Grimes RW, Wenman MRet al., 2016, The influence of alloying elements on the corrosion of Zr alloys, CORROSION SCIENCE, Vol: 105, Pages: 36-43, ISSN: 0010-938X

JOURNAL ARTICLE

Burr PA, Middleburgh SC, Grimes RW, 2016, Solubility and partitioning of impurities in Be alloys, JOURNAL OF ALLOYS AND COMPOUNDS, Vol: 688, Pages: 382-385, ISSN: 0925-8388

JOURNAL ARTICLE

Chernatynskiy A, Auguste A, Steele B, Phillpot JE, Grimes RW, Phillpot SRet al., 2016, Elastic and thermal properties of hexagonal perovskites, COMPUTATIONAL MATERIALS SCIENCE, Vol: 122, Pages: 139-145, ISSN: 0927-0256

JOURNAL ARTICLE

Cooper MWD, Kuganathan N, Burr PA, Rushton MJD, Grimes RW, Stanek CR, Andersson DAet al., 2016, Development of Xe and Kr empirical potentials for CeO2, ThO2, UO2 and PuO2, combining DFT with high temperature MD, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 28, ISSN: 0953-8984

JOURNAL ARTICLE

Galvin COT, Cooper MWD, Fossati PCM, Stanek CR, Grimes RW, Andersson DAet al., 2016, Pipe and grain boundary diffusion of He in UO2, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 28, ISSN: 0953-8984

JOURNAL ARTICLE

Galvin COT, Cooper MWD, Rushton MJD, Grimes RWet al., 2016, Thermophysical properties and oxygen transport in (Th-x, Pu1-x)O-2, SCIENTIFIC REPORTS, Vol: 6, ISSN: 2045-2322

JOURNAL ARTICLE

Ghosh PS, Arya A, Dey GK, Kuganathan N, Grimes RWet al., 2016, A computational study on the superionic behaviour of ThO2, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 18, Pages: 31494-31504, ISSN: 1463-9076

JOURNAL ARTICLE

Ghosh PS, Kuganathan N, Galvin COT, Arya A, Dey GK, Dutta BK, Grimes RWet al., 2016, Melting behavior of (Th,U)O-2 and (Th,Pu)O-2 mixed oxides, JOURNAL OF NUCLEAR MATERIALS, Vol: 479, Pages: 112-122, ISSN: 0022-3115

JOURNAL ARTICLE

Hodgson APJ, Jarvis KE, Grimes RW, Marsden OJet al., 2016, Development of an iridium dissolution method for the evaluation of potential radiological device materials, JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, Vol: 307, Pages: 2181-2186, ISSN: 0236-5731

JOURNAL ARTICLE

Jackson ML, Burr PA, Grimes RW, 2016, Resolving the structure of TiBe12, ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, Vol: 72, Pages: 277-280, ISSN: 2052-5206

JOURNAL ARTICLE

Jackson ML, Fossati PCM, Grimes RW, 2016, Simulations of threshold displacement in beryllium, JOURNAL OF APPLIED PHYSICS, Vol: 120, ISSN: 0021-8979

JOURNAL ARTICLE

Liu X-Y, Cooper MWD, McClellan KJ, Lashley JC, Byler DD, Bell BDC, Grimes RW, Stanek CR, Andersson DAet al., 2016, Molecular Dynamics Simulation of Thermal Transport in UO2 Containing Uranium, Oxygen, and Fission-product Defects, PHYSICAL REVIEW APPLIED, Vol: 6, ISSN: 2331-7019

JOURNAL ARTICLE

Middleburgh SC, Grimes RW, Lahoda EJ, Stanek CR, Andersson DAet al., 2016, Non-stoichiometry in U3Si2, JOURNAL OF NUCLEAR MATERIALS, Vol: 482, Pages: 300-305, ISSN: 0022-3115

JOURNAL ARTICLE

Pavlov T, Vlahovic L, Staicu D, Konings RJM, Wenman MR, Grimes RW, Van Uffelen Pet al., 2016, Experimental evaluation of the high temperature thermophysical properties of UO<inf>2</inf>, Pages: 1227-1235

High temperature properties of UO 2 are reported, in particular thermal conductivity, specific heat capacity, thermal diffusivity and melting point. All are measured with a single laser flash apparatus coupled with a numerical inverse method. The thermal conductivity, spectral emissivity, specific heat capacity, thermal diffusivity and melting point are in very good agreement with established literature values indicating the validity of the methodology and its potential for measuring these properties up to melting. The melting point was identified to be 3118 K ± 28 K. The thermal conductivity exhibits a minimum between 1800 K and 2100 K due to the competition between phonon scattering and an increase in the concentration of free charge carriers. The substantial increase in specific heat can be predominantly attributed to the formation of oxygen Frenkel pairs.

CONFERENCE PAPER

Bell BDC, Murphy ST, Burr PA, Grimes RW, Wenman MRet al., 2015, Accommodation of tin in tetragonal ZrO2, JOURNAL OF APPLIED PHYSICS, Vol: 117, ISSN: 0021-8979

JOURNAL ARTICLE

Bertolus M, Freyss M, Dorado B, Martin G, Hoang K, Maillard S, Skorek R, Garcia P, Valot C, Chartier A, Van Brutzel L, Fossati P, Grimes RW, Parfitt DC, Bishop CL, Murphy ST, Rushton MJD, Staicu D, Yakub E, Nichenko S, Krack M, Devynck F, Ngayam-Happy R, Govers K, Deo CS, Behera RKet al., 2015, Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation, JOURNAL OF NUCLEAR MATERIALS, Vol: 462, Pages: 475-495, ISSN: 0022-3115

JOURNAL ARTICLE

Burr PA, Middleburgh SC, Grimes RW, 2015, Crystal structure, thermodynamics, magnetics and disorder properties of Be-Fe-Al intermetallics, JOURNAL OF ALLOYS AND COMPOUNDS, Vol: 639, Pages: 111-122, ISSN: 0925-8388

JOURNAL ARTICLE

Burr PA, Wenman MR, Gault B, Moody MP, Ivermark M, Rushton MJD, Preuss M, Edwards L, Grimes RWet al., 2015, From solid solution to cluster formation of Fe and Cr in alpha-Zr, JOURNAL OF NUCLEAR MATERIALS, Vol: 467, Pages: 320-331, ISSN: 0022-3115

JOURNAL ARTICLE

Cooper MWD, Grimes RW, Fitzpatrick ME, Chroneos Aet al., 2015, Modeling oxygen self-diffusion in UO2 under pressure, SOLID STATE IONICS, Vol: 282, Pages: 26-30, ISSN: 0167-2738

JOURNAL ARTICLE

Cooper MWD, Middleburgh SC, Grimes RW, 2015, Modelling the thermal conductivity of (UxTh1-x)O-2 and (UxPu1-x)O-2, JOURNAL OF NUCLEAR MATERIALS, Vol: 466, Pages: 29-35, ISSN: 0022-3115

JOURNAL ARTICLE

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