| Year |
Citation |
Score |
| 2021 |
Galvin COT, Grimes RW, Burr PA. A molecular dynamics method to identify the liquidus and solidus in a binary phase diagram Computational Materials Science. 186: 110016. DOI: 10.1016/J.Commatsci.2020.110016 |
0.67 |
|
| 2020 |
Middleburgh SC, Ipatova I, Evitts LJ, Rushton MJD, Assinder B, Grimes RW, Lee WE. Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia Scripta Materialia. 175: 7-10. DOI: 10.1016/J.Scriptamat.2019.08.040 |
0.388 |
|
| 2020 |
Qin M, Middleburgh S, Cooper MWD, Rushton M, Puide M, Kuo EY, Grimes RW, Lumpkin GR. Thermal conductivity variation in uranium dioxide with gadolinia additions Journal of Nuclear Materials. 540: 152258. DOI: 10.1016/J.Jnucmat.2020.152258 |
0.354 |
|
| 2020 |
Pavlov T, Lestak M, Wenman M, Vlahovic L, Robba D, Cambriani A, Staicu D, Dahms E, Ernstberger M, Brown M, Bradford M, Konings R, Grimes R. Examining the thermal properties of unirradiated nuclear grade graphite between 750 and 2500 K Journal of Nuclear Materials. 538: 152176. DOI: 10.1016/J.Jnucmat.2020.152176 |
0.641 |
|
| 2020 |
Galvin C, Burr P, Cooper M, Fossati P, Grimes R. Using molecular dynamics to predict the solidus and liquidus of mixed oxides (Th,U)O2, (Th,Pu)O2 and (Pu,U)O2 Journal of Nuclear Materials. 534: 152127. DOI: 10.1016/J.Jnucmat.2020.152127 |
0.669 |
|
| 2020 |
Than Y, Grimes R, Bell B, Wenman M. Understanding the role of Fe, Cr and Ni in Zircaloy-2 with special focus on the role of Ni on hydrogen pickup Journal of Nuclear Materials. 530: 151956. DOI: 10.1016/J.Jnucmat.2019.151956 |
0.7 |
|
| 2019 |
Kuganathan N, Chroneos A, Grimes RW. The encapsulation selectivity for anionic fission products imparted by an electride. Scientific Reports. 9: 13612. PMID 31541185 DOI: 10.1038/S41598-019-50089-0 |
0.304 |
|
| 2019 |
Ghosh P, Arya A, Kuganathan N, Grimes R. Thermal and diffusional properties of (Th,Np)O2 and (U,Np)O2 mixed oxides Journal of Nuclear Materials. 521: 89-98. DOI: 10.1016/J.Jnucmat.2019.04.039 |
0.37 |
|
| 2018 |
Ghosh PS, Kuganathan N, Arya A, Grimes RW. Phase stability, electronic structures and elastic properties of (U,Np)O and (Th,Np)O mixed oxides. Physical Chemistry Chemical Physics : Pccp. PMID 29956700 DOI: 10.1039/C8Cp02414F |
0.325 |
|
| 2018 |
Pavlov TR, Wangle T, Wenman MR, Tyrpekl V, Vlahovic L, Robba D, Van Uffelen P, Konings RJM, Grimes RW. High temperature measurements and condensed matter analysis of the thermo-physical properties of ThO. Scientific Reports. 8: 5038. PMID 29567942 DOI: 10.1038/S41598-018-21406-W |
0.657 |
|
| 2018 |
Kenich A, Wenman M, Grimes R. Iodine defect energies and equilibria in ZrO2 Journal of Nuclear Materials. 511: 390-395. DOI: 10.1016/J.Jnucmat.2018.09.018 |
0.678 |
|
| 2018 |
Than Y, Wenman M, Bell B, Ortner S, Swan H, Grimes R. Modelling and experimental analysis of the effect of solute iron in thermally grown Zircaloy-4 oxides Journal of Nuclear Materials. 509: 114-123. DOI: 10.1016/J.Jnucmat.2018.06.029 |
0.655 |
|
| 2018 |
Kuganathan N, Ghosh P, Arya A, Grimes R. Helium trapping and clustering in ThO2 Journal of Nuclear Materials. 507: 288-296. DOI: 10.1016/J.Jnucmat.2018.05.006 |
0.391 |
|
| 2018 |
Middleburgh S, Claisse A, Andersson DA, Grimes RW, Olsson P, Maskova S. Solution of hydrogen in accident tolerant fuel candidate material : U3Si2 Journal of Nuclear Materials. 501: 234-237. DOI: 10.1016/J.Jnucmat.2018.01.018 |
0.302 |
|
| 2018 |
Galvin C, Cooper M, Rushton M, Grimes R. Oxygen diffusion in Gd-doped mixed oxides Journal of Nuclear Materials. 498: 300-306. DOI: 10.1016/J.Jnucmat.2017.10.036 |
0.312 |
|
| 2018 |
Bell B, Murphy S, Grimes R, Wenman M. The effect of Sn–VO defect clustering on Zr alloy corrosion Corrosion Science. 141: 14-17. DOI: 10.1016/J.Corsci.2018.06.020 |
0.7 |
|
| 2018 |
Kuganathan N, Arya AK, Rushton MJD, Grimes RW. Trapping of volatile fission products by C60 Carbon. 132: 477-485. DOI: 10.1016/J.Carbon.2018.02.098 |
0.316 |
|
| 2017 |
Liu X, Cooper M, McClellan K, Lashley J, Byler D, Bell B, Grimes R, Stanek C, Andersson D. Erratum: Molecular Dynamics Simulation of Thermal Transport in
UO2
Containing Uranium, Oxygen, and Fission-Product Defects [Phys. Rev. Applied
6
, 044015 (2016)] Physical Review Applied. 7. DOI: 10.1103/Physrevapplied.7.059901 |
0.326 |
|
| 2017 |
Jackson M, Burr P, Grimes R. Defect processes in Be12X (X = Ti, Mo, V, W) Nuclear Fusion. 57: 086049. DOI: 10.1088/1741-4326/Aa7B41 |
0.682 |
|
| 2017 |
Pavlov T, Vlahovic L, Staicu D, Konings R, Wenman M, Van Uffelen P, Grimes R. 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. 652: 39-52. DOI: 10.1016/J.Tca.2017.03.004 |
0.64 |
|
| 2017 |
Kuganathan N, Ghosh PS, Arya AK, Dey GK, Grimes RW. Energetics of halogen impurities in thorium dioxide Journal of Nuclear Materials. 495: 192-201. DOI: 10.1016/J.Jnucmat.2017.08.023 |
0.403 |
|
| 2017 |
Kuganathan N, Ghosh PS, Galvin CO, Arya AK, Dutta BK, Dey GK, Grimes RW. Fission gas in thoria Journal of Nuclear Materials. 485: 47-55. DOI: 10.1016/J.Jnucmat.2016.12.011 |
0.381 |
|
| 2017 |
Vălu SO, Beneš O, Manara D, Konings RJM, Cooper MWD, Grimes RW, Guéneau C. The high-temperature heat capacity of the (Th,U)O2 and (U,Pu)O2 solid solutions Journal of Nuclear Materials. 484: 1-6. DOI: 10.1016/J.Jnucmat.2016.11.010 |
0.326 |
|
| 2017 |
Pavlov T, Wenman M, Vlahovic L, Robba D, Konings R, Van Uffelen P, Grimes R. Measurement and interpretation of the thermo-physical properties of UO 2 at high temperatures: The viral effect of oxygen defects Acta Materialia. 139: 138-154. DOI: 10.1016/J.Actamat.2017.07.060 |
0.663 |
|
| 2017 |
Bell B, Murphy S, Grimes R, Wenman M. The effect of Nb on the corrosion and hydrogen pick-up of Zr alloys Acta Materialia. 132: 425-431. DOI: 10.1016/J.Actamat.2017.04.063 |
0.7 |
|
| 2016 |
Ghosh PS, Arya A, Dey GK, Kuganathan N, Grimes RW. A computational study on the superionic behaviour of ThO2. Physical Chemistry Chemical Physics : Pccp. PMID 27827487 DOI: 10.1039/C6Cp05794B |
0.345 |
|
| 2016 |
Galvin CO, Cooper MW, Rushton MJ, Grimes RW. Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2. Scientific Reports. 6: 36024. PMID 27796314 DOI: 10.1038/Srep36024 |
0.335 |
|
| 2016 |
Cooper MW, Kuganathan N, Burr PA, Rushton MJ, Grimes RW, Stanek CR, Andersson DA. Development of Xe and Kr empirical potentials for CeO2, ThO2, UO2 and PuO2, combining DFT with high temperature MD. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 405401. PMID 27549186 DOI: 10.1088/0953-8984/28/40/405401 |
0.691 |
|
| 2016 |
Jackson ML, Burr PA, Grimes RW. Resolving the structure of TiBe12. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 277-80. PMID 27048730 DOI: 10.1107/S205252061600322X |
0.684 |
|
| 2016 |
Liu X, Cooper M, McClellan K, Lashley J, Byler D, Bell B, Grimes R, Stanek C, Andersson D. Molecular Dynamics Simulation of Thermal Transport in
UO2
Containing Uranium, Oxygen, and Fission-product Defects Physical Review Applied. 6. DOI: 10.1103/Physrevapplied.6.044015 |
0.322 |
|
| 2016 |
Jackson ML, Fossati PCM, Grimes RW. Simulations of threshold displacement in beryllium Journal of Applied Physics. 120. DOI: 10.1063/1.4958974 |
0.337 |
|
| 2016 |
Middleburgh SC, Grimes RW, Lahoda EJ, Stanek CR, Andersson DA. Non-stoichiometry in U 3 Si 2 Journal of Nuclear Materials. 482: 300-305. DOI: 10.1016/J.Jnucmat.2016.10.016 |
0.323 |
|
| 2016 |
Ghosh PS, Kuganathan N, Galvin COT, Arya A, Dey GK, Dutta BK, Grimes RW. Melting behavior of (Th,U)O2 and (Th,Pu)O2 mixed oxides Journal of Nuclear Materials. 479: 112-122. DOI: 10.1016/J.Jnucmat.2016.06.037 |
0.311 |
|
| 2016 |
Burr PA, Middleburgh SC, Grimes RW. Solubility and partitioning of impurities in Be alloys Journal of Alloys and Compounds. 688: 382-385. DOI: 10.1016/J.Jallcom.2016.07.014 |
0.693 |
|
| 2016 |
Bell BDC, Murphy ST, Burr PA, Comstock RJ, Partezana JM, Grimes RW, Wenman MR. The influence of alloying elements on the corrosion of Zr alloys Corrosion Science. 105: 36-43. DOI: 10.1016/J.Corsci.2015.12.022 |
0.763 |
|
| 2015 |
Bell BDC, Murphy ST, Burr PA, Grimes RW, Wenman MR. Accommodation of tin in tetragonal ZrO2 Journal of Applied Physics. 117. DOI: 10.1063/1.4909505 |
0.781 |
|
| 2015 |
Tahini HA, Chroneos A, Middleburgh SC, Schwingenschlögl U, Grimes RW. Ultrafast palladium diffusion in germanium Journal of Materials Chemistry A. 3: 3832-3838. DOI: 10.1039/C4Ta06210H |
0.327 |
|
| 2015 |
Jay EE, Rushton MJD, Chroneos A, Grimes RW, Kilner JA. Genetics of superionic conductivity in lithium lanthanum titanates Physical Chemistry Chemical Physics. 17: 178-183. DOI: 10.1039/C4Cp04834B |
0.314 |
|
| 2015 |
Jalem R, Rushton MJD, Manalastas W, Nakayama M, Kasuga T, Kilner JA, Grimes RW. Effects of gallium doping in garnet-type Li7La3Zr2O12 solid electrolytes Chemistry of Materials. 27: 2821-2831. DOI: 10.1021/Cm5045122 |
0.337 |
|
| 2015 |
Jalem R, Nakayama M, Manalastas W, Kilner JA, Grimes RW, Kasuga T, Kanamura K. Insights into the Lithium-Ion Conduction Mechanism of Garnet-Type Cubic Li5La3Ta2O12 by ab-Initio Calculations Journal of Physical Chemistry C. 119: 20783-20791. DOI: 10.1021/Acs.Jpcc.5B05068 |
0.347 |
|
| 2015 |
Burr PA, Wenman MR, Gault B, Moody MP, Ivermark M, Rushton MJD, Preuss M, Edwards L, Grimes RW. From solid solution to cluster formation of Fe and Cr in α-Zr Journal of Nuclear Materials. 467: 320-331. DOI: 10.1016/J.Jnucmat.2015.10.001 |
0.783 |
|
| 2015 |
Murphy ST, Fossati P, Grimes RW. Xe diffusion and bubble nucleation around edge dislocations in UO2 Journal of Nuclear Materials. 466: 634-637. DOI: 10.1016/J.Jnucmat.2015.09.007 |
0.33 |
|
| 2015 |
Middleburgh SC, Burr PA, King DJM, Edwards L, Lumpkin GR, Grimes RW. Structural stability and fission product behaviour in U3Si Journal of Nuclear Materials. 466: 1-6. DOI: 10.1016/J.Jnucmat.2015.04.052 |
0.681 |
|
| 2015 |
Cooper MWD, Murphy ST, Rushton MJD, Grimes RW. Thermophysical properties and oxygen transport in the (Ux,Pu1-x)O2 lattice Journal of Nuclear Materials. 461: 206-214. DOI: 10.1016/J.Jnucmat.2015.03.024 |
0.368 |
|
| 2015 |
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, et al. Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation Journal of Nuclear Materials. 462: 475-495. DOI: 10.1016/J.Jnucmat.2015.02.026 |
0.345 |
|
| 2015 |
Burr PA, Middleburgh SC, Grimes RW. Crystal structure, thermodynamics, magnetics and disorder properties of Be-Fe-Al intermetallics Journal of Alloys and Compounds. 639: 111-122. DOI: 10.1016/J.Jallcom.2015.03.101 |
0.695 |
|
| 2014 |
Qin MJ, Cooper MW, Kuo EY, Rushton MJ, Grimes RW, Lumpkin GR, Middleburgh SC. Thermal conductivity and energetic recoils in UO2 using a many-body potential model. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 495401. PMID 25398161 DOI: 10.1088/0953-8984/26/49/495401 |
0.35 |
|
| 2014 |
Cooper MW, Murphy ST, Fossati PC, Rushton MJ, Grimes RW. Thermophysical and anion diffusion properties of (U x ,Th1-x )O2. Proceedings. Mathematical, Physical, and Engineering Sciences / the Royal Society. 470: 20140427. PMID 25383028 DOI: 10.1098/Rspa.2014.0427 |
0.362 |
|
| 2014 |
Cooper MW, Rushton MJ, Grimes RW. A many-body potential approach to modelling the thermomechanical properties of actinide oxides. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 105401. PMID 24553129 DOI: 10.1088/0953-8984/26/10/105401 |
0.353 |
|
| 2014 |
Chroneos A, Tahini HA, Schwingenschlögl U, Grimes RW. Antisites in III-V semiconductors: Density functional theory calculations Journal of Applied Physics. 116. DOI: 10.1063/1.4887135 |
0.315 |
|
| 2014 |
Jackson ML, Jay EE, Rushton MJD, Grimes RW. A concerted mechanism for Cl-migration in chlorapatite Journal of Materials Chemistry A. 2: 16157-16164. DOI: 10.1039/C4Ta03275F |
0.313 |
|
| 2014 |
Middleburgh SC, Karatchevtseva I, Kennedy BJ, Burr PA, Zhang Z, Reynolds E, Grimes RW, Lumpkin GR. Peroxide defect formation in zirconate perovskites Journal of Materials Chemistry A. 2: 15883-15888. DOI: 10.1039/C4Ta02558J |
0.695 |
|
| 2014 |
Murphy ST, Cooper MWD, Grimes RW. Point defects and non-stoichiometry in thoria Solid State Ionics. 267: 80-87. DOI: 10.1016/J.Ssi.2014.09.017 |
0.397 |
|
| 2014 |
Cooper MWD, Middleburgh SC, Grimes RW. Vacancy mediated cation migration in uranium dioxide: The influence of cluster configuration Solid State Ionics. 266: 68-72. DOI: 10.1016/J.Ssi.2014.08.010 |
0.323 |
|
| 2014 |
Murphy ST, Rushton MJD, Grimes RW. A comparison of empirical potential models for the simulation of dislocations in uranium dioxide Progress in Nuclear Energy. 72: 27-32. DOI: 10.1016/J.Pnucene.2013.09.010 |
0.339 |
|
| 2014 |
Cooper MWD, Middleburgh SC, Grimes RW. Swelling due to the partition of soluble fission products between the grey phase and uranium dioxide Progress in Nuclear Energy. 72: 33-37. DOI: 10.1016/J.Pnucene.2013.09.006 |
0.352 |
|
| 2014 |
Lumley SC, Grimes RW, Murphy ST, Burr PA, Chroneos A, Chard-Tuckey PR, Wenman MR. The thermodynamics of hydride precipitation: The importance of entropy, enthalpy and disorder Acta Materialia. 79: 351-362. DOI: 10.1016/J.Actamat.2014.07.019 |
0.777 |
|
| 2013 |
Shiiba H, Nakayama M, Kasuga T, Grimes RW, Kilner JA. Calculation of arrangement of oxygen ions and vacancies in double perovskite GdBaCo2O(5+δ) by first-principles DFT with Monte Carlo simulations. Physical Chemistry Chemical Physics : Pccp. 15: 10494-9. PMID 23677012 DOI: 10.1039/C3Cp50316J |
0.373 |
|
| 2013 |
Stechert TR, Rushton MJD, Grimes RW. Predicted mechanism for enhanced durability of zinc containing silicate glasses Journal of the American Ceramic Society. 96: 1450-1455. DOI: 10.1111/Jace.12308 |
0.339 |
|
| 2013 |
Middleburgh SC, Lagerlof KPD, Grimes RW. Accommodation of excess oxygen in group II monoxides Journal of the American Ceramic Society. 96: 308-311. DOI: 10.1111/J.1551-2916.2012.05452.X |
0.348 |
|
| 2013 |
Tahini HA, Chroneos A, Murphy ST, Schwingenschlögl U, Grimes RW. Vacancies and defect levels in III-V semiconductors Journal of Applied Physics. 114. DOI: 10.1063/1.4818484 |
0.313 |
|
| 2013 |
Tahini HA, Chroneos A, Grimes RW, Schwingenschlögl U. Co-doping with antimony to control phosphorous diffusion in germanium Journal of Applied Physics. 113. DOI: 10.1063/1.4792480 |
0.357 |
|
| 2013 |
Shiiba H, Bishop CL, Rushton MJD, Nakayama M, Nogami M, Kilner JA, Grimes RW. Effect of A-site cation disorder on oxygen diffusion in perovskite-type Ba0.5Sr0.5Co1-xFexO2.5 Journal of Materials Chemistry A. 1: 10345-10352. DOI: 10.1039/C3Ta10382J |
0.321 |
|
| 2013 |
Tahini HA, Chroneos A, Grimes RW, Schwingenschlögl U, Bracht H. Point defect engineering strategies to retard phosphorous diffusion in germanium Physical Chemistry Chemical Physics. 15: 367-371. DOI: 10.1039/C2Cp42973J |
0.309 |
|
| 2013 |
Middleburgh SC, Lumpkin GR, Grimes RW. Accommodation of excess oxygen in fluorite dioxides Solid State Ionics. 253: 119-122. DOI: 10.1016/J.Ssi.2013.09.020 |
0.354 |
|
| 2013 |
Rushton MJD, Chroneos A, Skinner SJ, Kilner JA, Grimes RW. Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria Solid State Ionics. 230: 37-42. DOI: 10.1016/J.Ssi.2012.09.015 |
0.329 |
|
| 2013 |
Burr PA, Murphy ST, Lumley SC, Wenman MR, Grimes RW. Hydrogen solubility in zirconium intermetallic second phase particles Journal of Nuclear Materials. 443: 502-506. DOI: 10.1016/J.Jnucmat.2013.07.060 |
0.777 |
|
| 2013 |
Cooper MWD, Gregg DJ, Zhang Y, Thorogood GJ, Lumpkin GR, Grimes RW, Middleburgh SC. Formation of (Cr, Al)UO4 from doped UO2 and its influence on partition of soluble fission products Journal of Nuclear Materials. 443: 236-241. DOI: 10.1016/J.Jnucmat.2013.07.038 |
0.366 |
|
| 2013 |
Cooper MWD, Middleburgh SC, Grimes RW. Partition of soluble fission products between the grey phase, ZrO 2 and uranium dioxide Journal of Nuclear Materials. 438: 238-245. DOI: 10.1016/J.Jnucmat.2013.02.082 |
0.367 |
|
| 2013 |
Lumley SC, Murphy ST, Burr PA, Grimes RW, Chard-Tuckey PR, Wenman MR. The stability of alloying additions in Zirconium Journal of Nuclear Materials. 437: 122-129. DOI: 10.1016/J.Jnucmat.2013.01.335 |
0.784 |
|
| 2013 |
Burr PA, Murphy ST, Lumley SC, Wenman MR, Grimes RW. Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4 Corrosion Science. 69: 1-4. DOI: 10.1016/J.Corsci.2012.11.036 |
0.77 |
|
| 2013 |
Patel AP, Stanek CR, Grimes RW. Comparison of defect processes in REAlO3 perovskites and RE3Al5O12 garnets Physica Status Solidi (B) Basic Research. 250: 1624-1631. DOI: 10.1002/Pssb.201248583 |
0.375 |
|
| 2012 |
Schwingenschlögl U, Chroneos A, Schuster C, Grimes RW. Electronegativity and doping in semiconductors Journal of Applied Physics. 112. DOI: 10.1063/1.4747932 |
0.331 |
|
| 2012 |
Jay EE, Rushton MJD, Grimes RW. Migration of fluorine in fluorapatite - A concerted mechanism Journal of Materials Chemistry. 22: 6097-6103. DOI: 10.1039/C2Jm16235K |
0.31 |
|
| 2012 |
Bishop CL, Murphy ST, Rushton MJD, Grimes RW. The influence of dipole polarisation on threshold displacement energies in UO 2 Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 274: 195-199. DOI: 10.1016/J.Nimb.2011.11.023 |
0.342 |
|
| 2012 |
Middleburgh SC, Grimes RW, Desai KH, Blair PR, Hallstadius L, Backman K, Van Uffelen P. Swelling due to fission products and additives dissolved within the uranium dioxide lattice Journal of Nuclear Materials. 427: 359-363. DOI: 10.1016/J.Jnucmat.2012.03.037 |
0.355 |
|
| 2012 |
Govers K, Bishop CL, Parfitt DC, Lemehov SE, Verwerft M, Grimes RW. Molecular dynamics study of Xe bubble re-solution in UO 2 Journal of Nuclear Materials. 420: 282-290. DOI: 10.1016/J.Jnucmat.2011.10.010 |
0.304 |
|
| 2012 |
Middleburgh SC, Parfitt DC, Grimes RW, Dorado B, Bertolus M, Blair PR, Hallstadius L, Backman K. Solution of trivalent cations into uranium dioxide Journal of Nuclear Materials. 420: 258-261. DOI: 10.1016/J.Jnucmat.2011.10.006 |
0.377 |
|
| 2012 |
Stechert TR, Rushton MJD, Grimes RW, Dillon AC. Predicted structure, thermo-mechanical properties and Li ion transport in LiAlF 4 glass Journal of Non-Crystalline Solids. 358: 1917-1923. DOI: 10.1016/J.Jnoncrysol.2012.05.044 |
0.337 |
|
| 2012 |
Lu H, Murphy ST, Rushton MJD, Parfitt DC, Grimes RW. Thermal conductivity and the isotope effect in Li 2O Fusion Engineering and Design. 87: 1834-1838. DOI: 10.1016/J.Fusengdes.2012.08.008 |
0.338 |
|
| 2011 |
Kushima A, Parfitt D, Chroneos A, Yildiz B, Kilner JA, Grimes RW. Interstitialcy diffusion of oxygen in tetragonal La2CoO(4+δ). Physical Chemistry Chemical Physics : Pccp. 13: 2242-9. PMID 21132203 DOI: 10.1039/C0Cp01603A |
0.366 |
|
| 2011 |
Middleburgh SC, Parfitt DC, Blair PR, Grimes RW. Atomic scale modeling of point defects in zirconium diboride Journal of the American Ceramic Society. 94: 2225-2229. DOI: 10.1111/J.1551-2916.2010.04360.X |
0.391 |
|
| 2011 |
Murphy ST, Chroneos A, Grimes RW, Jiang C, Schwingenschlögl U. Phase stability and the arsenic vacancy defect in InxGa 1-xAs Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.184108 |
0.38 |
|
| 2011 |
Nerikar PV, Parfitt DC, Casillas Trujillo LA, Andersson DA, Unal C, Sinnott SB, Grimes RW, Uberuaga BP, Stanek CR. Segregation of xenon to dislocations and grain boundaries in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.174105 |
0.324 |
|
| 2011 |
Tahini H, Chroneos A, Grimes RW, Schwingenschlögl U. Diffusion of tin in germanium: A GGAU approach Applied Physics Letters. 99. DOI: 10.1063/1.3653472 |
0.329 |
|
| 2011 |
Schwingenschlögl U, Chroneos A, Schuster C, Grimes RW. Doping and cluster formation in diamond Journal of Applied Physics. 110. DOI: 10.1063/1.3633223 |
0.307 |
|
| 2011 |
Tahini H, Chroneos A, Grimes RW, Schwingenschlögl U, Bracht H. Diffusion of e centers in germanium predicted using GGAU approach Applied Physics Letters. 99. DOI: 10.1063/1.3625939 |
0.33 |
|
| 2011 |
Seymour ID, Chroneos A, Kilner JA, Grimes RW. Defect processes in orthorhombic LnBaCo2O5.5 double perovskites Physical Chemistry Chemical Physics. 13: 15305-15310. DOI: 10.1039/C1Cp21471C |
0.376 |
|
| 2011 |
Jay EE, Mallinson PM, Fong SK, Metcalfe BL, Grimes RW. Partitioning of dopant cations between β-tricalcium phosphate and fluorapatite Journal of Nuclear Materials. 414: 367-373. DOI: 10.1016/J.Jnucmat.2011.05.003 |
0.319 |
|
| 2011 |
Rushton MJD, Grimes RW, Owens SL. Partial ordering of glass networks adjacent to simulated glass-crystal interfaces Journal of Non-Crystalline Solids. 357: 3278-3287. DOI: 10.1016/J.Jnoncrysol.2011.05.029 |
0.324 |
|
| 2011 |
Middleburgh SC, Grimes RW. Defects and transport processes in beryllium Acta Materialia. 59: 7095-7103. DOI: 10.1016/J.Actamat.2011.07.064 |
0.384 |
|
| 2011 |
Jay EE, Mallinson PM, Fong SK, Metcalfe BL, Grimes RW. Divalent cation diffusion in calcium fluorapatite Journal of Materials Science. 46: 7459-7465. DOI: 10.1007/S10853-011-5712-4 |
0.303 |
|
| 2010 |
Parfitt DC, Bishop CL, Wenman MR, Grimes RW. Strain fields and line energies of dislocations in uranium dioxide. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 175004. PMID 21393662 DOI: 10.1088/0953-8984/22/17/175004 |
0.661 |
|
| 2010 |
Parfitt D, Chroneos A, Kilner JA, Grimes RW. Molecular dynamics study of oxygen diffusion in Pr(2)NiO(4+delta). Physical Chemistry Chemical Physics : Pccp. 12: 6834-6. PMID 20461243 DOI: 10.1039/C001809K |
0.338 |
|
| 2010 |
Murphy ST, Chroneos A, Jiang C, Schwingenschlögl U, Grimes RW. Deviations from Vegard’s law in ternary III-V alloys Physical Review B. 82. DOI: 10.1103/Physrevb.82.073201 |
0.341 |
|
| 2010 |
Murphy S, Gilbert C, Smith R, Mitchell T, Grimes R. Non-stoichiometry in MgAl2O4spinel Philosophical Magazine. 90: 1297-1305. DOI: 10.1080/14786430903341402 |
0.406 |
|
| 2010 |
Chroneos A, Parfitt D, Kilner JA, Grimes RW. Anisotropic oxygen diffusion in tetragonal La2NiO 4+δ: Molecular dynamics calculations Journal of Materials Chemistry. 20: 266-270. DOI: 10.1039/B917118E |
0.346 |
|
| 2010 |
Patel A, Stanek C, Levy M, Chroneos A, Grimes R. Defect volumes of BO2 doped Y2O3 (B=Ti, Zr, Hf and Ce) Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 268: 3111-3113. DOI: 10.1016/J.Nimb.2010.05.065 |
0.365 |
|
| 2010 |
Bishop CL, Grimes RW, Parfitt DC. Establishing the isotropy of displacement cascades in UO2 through molecular dynamics simulation Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 2915-2917. DOI: 10.1016/J.Nimb.2010.05.007 |
0.347 |
|
| 2010 |
Murphy S, Lu H, Grimes R. General relationships for isovalent cation substitution into oxides with the rocksalt structure Journal of Physics and Chemistry of Solids. 71: 735-738. DOI: 10.1016/J.Jpcs.2010.01.011 |
0.34 |
|
| 2010 |
Chroneos A, Jiang C, Grimes R, Schwingenschlögl U. Special quasirandom structures for binary/ternary group IV random alloys Chemical Physics Letters. 493: 97-102. DOI: 10.1016/J.Cplett.2010.04.068 |
0.367 |
|
| 2010 |
Chroneos A, Kube R, Bracht H, Grimes R, Schwingenschlögl U. Vacancy–indium clusters in implanted germanium Chemical Physics Letters. 490: 38-40. DOI: 10.1016/J.Cplett.2010.03.005 |
0.314 |
|
| 2010 |
Steele B, Burns AD, Chernatynskiy A, Grimes RW, Phillpot SR. Anisotropic thermal properties in orthorhombic perovskites Journal of Materials Science. 45: 168-176. DOI: 10.1007/S10853-009-3912-Y |
0.316 |
|
| 2009 |
Gilbert CA, Smith R, Kenny SD, Murphy ST, Grimes RW, Ball JA. A theoretical study of intrinsic point defects and defect clusters in magnesium aluminate spinel. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 275406. PMID 21828490 DOI: 10.1088/0953-8984/21/27/275406 |
0.409 |
|
| 2009 |
Stanek CR, Jiang C, Uberuaga BP, Sickafus KE, Cleave AR, Grimes RW. Predicted structure and stability of A4 B3 O 12 δ -phase compositions Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.174101 |
0.375 |
|
| 2009 |
Rupasov D, Chroneos A, Parfitt D, Kilner JA, Grimes RW, Istomin SY, Antipov EV. Oxygen diffusion in Sr0.75 Y0.25 CoO2.625: A molecular dynamics study Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.172102 |
0.347 |
|
| 2009 |
Chernatynskiy A, Grimes RW, Zurbuchen MA, Clarke DR, Phillpot SR. Crossover in thermal transport properties of natural, perovskite-structured superlattices Applied Physics Letters. 95. DOI: 10.1063/1.3253421 |
0.302 |
|
| 2009 |
Ashley NJ, Parfitt D, Chroneos A, Grimes RW. Mechanisms of nonstoichiometry in HfN1-x Journal of Applied Physics. 106. DOI: 10.1063/1.3236669 |
0.353 |
|
| 2009 |
Chroneos A, Grimes RW, Bracht H. Fluorine codoping in germanium to suppress donor diffusion and deactivation Journal of Applied Physics. 106: 063707. DOI: 10.1063/1.3224900 |
0.334 |
|
| 2009 |
Chroneos A, Jiang C, Grimes RW, Schwingenschlögl U, Bracht H. E centers in ternary Si1−x−yGexSny random alloys Applied Physics Letters. 95: 112101. DOI: 10.1063/1.3224894 |
0.359 |
|
| 2009 |
Chroneos A, Jiang C, Grimes RW, Schwingenschlögl U, Bracht H. Defect interactions in Sn1−xGex random alloys Applied Physics Letters. 94: 252104. DOI: 10.1063/1.3159468 |
0.396 |
|
| 2009 |
Chroneos A, Grimes RW, Bracht H. Impact of germanium on vacancy clustering in germanium-doped silicon Journal of Applied Physics. 105: 016102. DOI: 10.1063/1.3056387 |
0.332 |
|
| 2009 |
Murphy ST, Uberuaga BP, Ball JB, Cleave AR, Sickafus KE, Smith R, Grimes RW. Cation diffusion in magnesium aluminate spinel Solid State Ionics. 180: 1-8. DOI: 10.1016/J.Ssi.2008.10.013 |
0.36 |
|
| 2009 |
Parfitt DC, Grimes RW. Predicting the probability for fission gas resolution into uranium dioxide Journal of Nuclear Materials. 392: 28-34. DOI: 10.1016/J.Jnucmat.2009.03.046 |
0.355 |
|
| 2009 |
Blair MW, Levy MR, Grimes RW, Uberuaga BP, Jiang C, Valdez JA, Williams JJ, Tang M, Stanek CR, Sickafus KE. Charge compensation in an irradiation-induced phase of δ-Sc 4Zr3O12 Journal of Materials Science. 44: 4754-4757. DOI: 10.1007/S10853-009-3722-2 |
0.376 |
|
| 2008 |
Rushton MJD, Grimes RW, Owens SL. Changes to Alkali Ion Content Adjacent to Crystal-Glass Interfaces Mrs Proceedings. 1107. DOI: 10.1557/Proc-1107-207 |
0.337 |
|
| 2008 |
Rushton MJD, Grimes RW, Owens SL. Predicted Changes to Alkali Concentration Adjacent to Glass–Crystal Interfaces Journal of the American Ceramic Society. 91: 1659-1664. DOI: 10.1111/J.1551-2916.2008.02352.X |
0.314 |
|
| 2008 |
Stanek CR, McClellan KJ, Levy MR, Grimes RW. Site solution preference of Bi3+ in RE2O3 scintillators Ieee Transactions On Nuclear Science. 55: 1492-1495. DOI: 10.1109/Tns.2007.910864 |
0.306 |
|
| 2008 |
Chroneos A, Bracht H, Jiang C, Uberuaga BP, Grimes RW. Nonlinear stability of E centers in Si1-x Gex: Electronic structure calculations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.195201 |
0.363 |
|
| 2008 |
Chroneos A, Grimes RW, Uberuaga BP, Bracht H. Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.235208 |
0.316 |
|
| 2008 |
Chroneos A, Grimes RW, Bracht H, Uberuaga BP. Engineering the free vacancy and active donor concentrations in phosphorus and arsenic double donor-doped germanium Journal of Applied Physics. 104. DOI: 10.1063/1.3035847 |
0.345 |
|
| 2008 |
Patel AP, Levy MR, Grimes RW, Gaume RM, Feigelson RS, McClellan KJ, Stanek CR. Mechanisms of nonstoichiometry in Y3Al5O12 Applied Physics Letters. 93. DOI: 10.1063/1.3002303 |
0.366 |
|
| 2008 |
Chroneos A, Bracht H, Grimes RW, Uberuaga BP. Vacancy-mediated dopant diffusion activation enthalpies for germanium Applied Physics Letters. 92. DOI: 10.1063/1.2918842 |
0.312 |
|
| 2008 |
Cleave AR, Kilner JA, Skinner SJ, Murphy ST, Grimes RW. Atomistic computer simulation of oxygen ion conduction mechanisms in La2NiO4 Solid State Ionics. 179: 823-826. DOI: 10.1016/J.Ssi.2008.04.013 |
0.357 |
|
| 2008 |
Ball JA, Murphy ST, Grimes RW, Bacorisen D, Smith R, Uberuaga BP, Sickafus KE. Defect processes in MgAl2O4 spinel Solid State Sciences. 10: 717-724. DOI: 10.1016/J.Solidstatesciences.2007.04.005 |
0.381 |
|
| 2008 |
Kotomin EA, Gryaznov D, Grimes RW, Parfitt D, Zhukovskii YF, Mastrikov YA, Van Uffelen P, Rondinella VV, Konings RJM. First-principles modelling of radiation defects in advanced nuclear fuels Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 266: 2671-2675. DOI: 10.1016/J.Nimb.2008.03.226 |
0.395 |
|
| 2008 |
Stanek CR, Levy MR, McClellan KJ, Uberuaga BP, Grimes RW. Defect identification and compensation in rare earth oxide scintillators Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 266: 2657-2664. DOI: 10.1016/J.Nimb.2008.03.209 |
0.373 |
|
| 2008 |
Kittiratanawasin L, Smith R, Uberuaga BP, Sickafus KE, Cleave AR, Grimes RW. Atomistic simulations of radiation induced defect formation in the Er2O3 sesquioxide Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 266: 2691-2697. DOI: 10.1016/J.Nimb.2008.03.196 |
0.379 |
|
| 2008 |
Chroneos A, Bracht H, Grimes RW, Uberuaga BP. Phosphorous clustering in germanium-rich silicon germanium Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 154: 72-75. DOI: 10.1016/J.Mseb.2008.08.005 |
0.333 |
|
| 2008 |
Michie EM, Grimes RW, Fong SK, Metcalfe BL. Predicted energies and structures associated with the mixed calcium strontium fluorapatites Journal of Solid State Chemistry. 181: 3287-3293. DOI: 10.1016/J.Jssc.2008.09.004 |
0.353 |
|
| 2008 |
Parfitt DC, Grimes RW. Predicted mechanisms for radiation enhanced helium resolution in uranium dioxide Journal of Nuclear Materials. 381: 216-222. DOI: 10.1016/J.Jnucmat.2008.06.038 |
0.331 |
|
| 2008 |
Watanabe T, Sinnott SB, Tulenko JS, Grimes RW, Schelling PK, Phillpot SR. Thermal transport properties of uranium dioxide by molecular dynamics simulations Journal of Nuclear Materials. 375: 388-396. DOI: 10.1016/J.Jnucmat.2008.01.016 |
0.317 |
|
| 2008 |
Stanek CR, Tan AHH, Owens SL, Grimes RW. Atomistic simulation of CeO2 surface hydroxylation: implications for glass polishing Journal of Materials Science. 43: 4157-4162. DOI: 10.1007/S10853-008-2605-2 |
0.323 |
|
| 2007 |
Grimes Rw. Defect Structure and Stability in Uranium and Zirconium Nitrides Mrs Proceedings. 1043. DOI: 10.1557/Proc-1043-T06-02-E06-02 |
0.388 |
|
| 2007 |
Uberuaga BP, Bacorisen D, Smith R, Ball JA, Grimes RW, Voter AF, Sickafus KE. Defect kinetics in spinels: Long-time simulations of Mg Al2 O4, Mg Ga2 O4, and Mg In2 O4 Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.104116 |
0.345 |
|
| 2007 |
Kotomin EA, Grimes RW, Mastrikov Y, Ashley NJ. Atomic scale DFT simulations of point defects in uranium nitride Journal of Physics: Condensed Matter. 19: 106208. DOI: 10.1088/0953-8984/19/10/106208 |
0.382 |
|
| 2007 |
Chroneos A, Grimes RW, Uberuaga BP, Brotzmann S, Bracht H. Vacancy-arsenic clusters in germanium Applied Physics Letters. 91. DOI: 10.1063/1.2805773 |
0.346 |
|
| 2007 |
Chroneos A, Uberuaga BP, Grimes RW. Carbon, dopant, and vacancy interactions in germanium Journal of Applied Physics. 102. DOI: 10.1063/1.2798875 |
0.309 |
|
| 2007 |
Levy MR, Stanek CR, Chroneos A, Grimes RW. Defect chemistry of doped bixbyite oxides Solid State Sciences. 9: 588-593. DOI: 10.1016/J.Solidstatesciences.2007.02.009 |
0.363 |
|
| 2007 |
Rushton MJD, Stanek CR, Cleave AR, Uberuaga BP, Sickafus KE, Grimes RW. Simulation of defects and defect processes in fluorite and fluorite related oxides: Implications for radiation tolerance Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 255: 151-157. DOI: 10.1016/J.Nimb.2006.11.018 |
0.385 |
|
| 2007 |
Ashley NJ, Grimes RW, McClellan KJ. Accommodation of non-stoichiometry in TiN1-x and ZrN 1-x Journal of Materials Science. 42: 1884-1889. DOI: 10.1007/S10853-006-1321-Z |
0.351 |
|
| 2007 |
Chroneos A, Ashley NJ, Desai KH, Maguire JF, Grimes RW. Optimized hydrogen positions for aluminium and iron containing hydroxide minerals Journal of Materials Science. 42: 2024-2029. DOI: 10.1007/S10853-006-0816-Y |
0.315 |
|
| 2007 |
Uberuaga BP, Voter AF, Sickafus KE, Cleave A, Grimes RW, Smith R. Structure and mobility of radiation-induced defects in MgO Journal of Computer-Aided Materials Design. 14: 183-189. DOI: 10.1007/S10820-007-9085-6 |
0.337 |
|
| 2007 |
Chroneos A, Levy MR, Stanek CR, McClellan K, Grimes RW. Intrinsic defect processes in bixbyite sesquioxides Physica Status Solidi (C) Current Topics in Solid State Physics. 4: 1213-1216. DOI: 10.1002/Pssc.200673829 |
0.405 |
|
| 2007 |
Stanek CR, Uberuaga BP, McClellan KJ, Levy MR, Grimes RW. Oxygen transport mechanisms in REAlO3 scintillators Physica Status Solidi (C) Current Topics in Solid State Physics. 4: 984-987. DOI: 10.1002/Pssc.200673813 |
0.365 |
|
| 2007 |
Levy MR, Patel A, Stanek CR, McClellan K, Grimes RW. Defect structure behaviour in metal halides Physica Status Solidi (C) Current Topics in Solid State Physics. 4: 1226-1229. DOI: 10.1002/Pssc.200673798 |
0.358 |
|
| 2006 |
Bacorisen D, Smith R, Uberuaga BP, Sickafus KE, Ball JA, Grimes RW. Atomistic simulations of radiation-induced defect formation in spinels: Mg Al2 O4, Mg Ga2 O4, and Mg In2 O4 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.214105 |
0.36 |
|
| 2006 |
Uberuaga BP, Smith R, Cleave AR, Grimes RW, Voter AF, Sickafus KE. Accelerated molecular dynamics simulations of interstitial clusters in pure and Al-doped MgO Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 250: 12-16. DOI: 10.1016/J.Nimb.2006.04.078 |
0.328 |
|
| 2005 |
Tan AHH, Abramowski M, Grimes RW, Owens S. Surface defect configurations on the (100) dipolar surface ofUO2 Physical Review B. 72. DOI: 10.1103/Physrevb.72.035457 |
0.326 |
|
| 2005 |
Uberuaga BP, Smith R, Cleave AR, Henkelman G, Grimes RW, Voter AF, Sickafus KE. Dynamical simulations of radiation damage and defect mobility in MgO Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.104102 |
0.301 |
|
| 2004 |
Rushton M, Grimes RW, Stanek C, Owens S. Predicted pyrochlore to fluorite disorder temperature for A2Zr2O7 compositions Journal of Materials Research. 19: 1603-1604. DOI: 10.1557/Jmr.2004.0231 |
0.319 |
|
| 2004 |
Stanek CR, Bradford MR, Grimes RW. Segregation of Ba2+, Sr2+, Ce4+ and Zr4+ to UO2 surfaces Journal of Physics: Condensed Matter. 16: 2699-2714. DOI: 10.1088/0953-8984/16/27/008 |
0.345 |
|
| 2004 |
Levy MR, Grimes RW, Sickafus KE. Disorder processes in A3+B3+O3compounds: implications for radiation tolerance Philosophical Magazine. 84: 533-545. DOI: 10.1080/1478643032000158297 |
0.323 |
|
| 2004 |
Levy MR, Steel BCH, Grimes RW. Divalent cation solution in A3+B3+O3 perovskites Solid State Ionics. 175: 349-352. DOI: 10.1016/J.Ssi.2004.02.072 |
0.353 |
|
| 2002 |
Redfern S, Stanek CR, Grimes R, Rawlings R. Segregation of Yttrium Ions as to the Surfaces of t-ZrO2 Mrs Proceedings. 751. DOI: 10.1557/Proc-751-Z1.6 |
0.35 |
|
| 2002 |
Pirzada M, Grimes RW, Maguire J, Sickafus K. Predictions of strontium accommodation in A2B2O7 pyrochlores Journal of Materials Research. 17: 2041-2047. DOI: 10.1557/Jmr.2002.0302 |
0.395 |
|
| 2002 |
Stanek CR, Grimes RW. Prediction of Rare-Earth A2Hf2O7Pyrochlore Phases Journal of the American Ceramic Society. 85: 2139-2141. DOI: 10.1111/J.1151-2916.2002.Tb00423.X |
0.326 |
|
| 2002 |
Sickafus KE, Valdez JA, Williams JR, Grimes RW, Hawkins HT. Radiation induced amorphization resistance in A2O3–BO2 oxides Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 191: 549-558. DOI: 10.1016/S0168-583X(02)00609-2 |
0.311 |
|
| 2001 |
Sickafus KE, Minervini L, Grimes RW, Valdez JA, Hartmann T. A comparison between radiation damage accumulation in oxides with pyrochlore and fluorite structures Radiation Effects and Defects in Solids. 155: 133-137. DOI: 10.1080/10420150108214104 |
0.314 |
|
| 2001 |
Vyas S, Grimes RW, Bulatov V, Abramowski M. The Surface Structure of CaF2; A Comparison of Techniques Molecular Simulation. 26: 307-321. DOI: 10.1080/08927020108023016 |
0.764 |
|
| 2000 |
Zacate MO, Grimes RW. Combined Monte Carlo-energy minimization analysis of Al-Fe disorder in Ca2FeAlO5brownmillerite Philosophical Magazine A. 80: 797-807. DOI: 10.1080/01418610008212083 |
0.342 |
|
| 2000 |
Grimes RW, Chen SP. Influence of ion size on the binding of a charge compensating cobalt vacancy to M3+ dopant ions in CoO Journal of Physics and Chemistry of Solids. 61: 1263-1268. DOI: 10.1016/S0022-3697(99)00408-4 |
0.337 |
|
| 1999 |
Grimes RW. Variations in the properties of ceramic nano-clusters Philosophical Magazine B. 79: 407-424. DOI: 10.1080/13642819908206416 |
0.306 |
|
| 1999 |
Zacate MO, Grimes RW. Intrinsic defect processes in Ca–Al–Fe–O cement-phase compounds Journal of Materials Science. 34: 445-449. DOI: 10.1023/A:1004569907481 |
0.355 |
|
| 1999 |
Minervini L, Grimes RW. Defect clustering in wüstite Journal of Physics and Chemistry of Solids. 60: 235-245. DOI: 10.1016/S0022-3697(98)00273-X |
0.328 |
|
| 1998 |
Grimes NW, Grimes RW. The shell model for alkali halide crystals: Do the equations adequately describe their dielectric behaviour? Journal of Physics Condensed Matter. 10: 5433-5437. DOI: 10.1088/0953-8984/10/24/019 |
0.321 |
|
| 1998 |
Vyas S, Grimes RW, Gay DH, Rohl AL. Structure, stability and morphology of stoichiometric ceria crystallites Journal of the Chemical Society, Faraday Transactions. 94: 427-434. DOI: 10.1039/A707052G |
0.774 |
|
| 1998 |
Lagerlöf K, Grimes R. The defect chemistry of sapphire (α-Al2O3) Acta Materialia. 46: 5689-5700. DOI: 10.1016/S1359-6454(98)00256-0 |
0.35 |
|
| 1998 |
Grimes RW. Toward cellular automata: the role of atomistic simulation in determining material structures Journal of Alloys and Compounds. 279: 75-81. DOI: 10.1016/S0925-8388(98)00615-X |
0.303 |
|
| 1997 |
Grimes NW, Grimes RW. Analysis of oxide dielectric data and the quantum theory of atomic polarizability Journal of Physics Condensed Matter. 9: 6737-6747. DOI: 10.1088/0953-8984/9/31/023 |
0.319 |
|
| 1997 |
McCoy MA, Grimes RW, Lee WE. Planar intergrowth structures in the ZnO-In2O3system Philosophical Magazine A. 76: 1187-1201. DOI: 10.1080/01418619708214222 |
0.401 |
|
| 1997 |
Mccoy MA, Grimes RW, Lee WE. Phase stability and interfacial structures in the SrO–SrTiO3system Philosophical Magazine A. 75: 833-846. DOI: 10.1080/01418619708207205 |
0.368 |
|
| 1997 |
Vyas S, Grimes RW, Binks DJ, Rey F. Metastable solid solutions of alumina in magnesia Journal of Physics and Chemistry of Solids. 58: 1619-1624. DOI: 10.1016/S0022-3697(97)00070-X |
0.788 |
|
| 1997 |
Nicoll S, Matzke H, Grimes R, Catlow C. The behaviour of single atoms of molybdenum in urania Journal of Nuclear Materials. 240: 185-195. DOI: 10.1016/S0022-3115(96)00716-7 |
0.355 |
|
| 1996 |
Stashans A, Lunell S, Grimes RW. Theoretical study of perfect and defective TiO2 crystals Journal of Physics and Chemistry of Solids. 57: 1293-1301. DOI: 10.1016/0022-3697(95)00321-5 |
0.318 |
|
| 1996 |
Binks DJ, Grimes RW, Rohl AL, Gay DH. Morphology and structure of ZnCr2O4 spinel crystallites Journal of Materials Science. 31: 1151-1156. DOI: 10.1007/Bf00353093 |
0.323 |
|
| 1995 |
Grimes RW, Binks DJ, Lidiard AB. The extent of zinc oxide solution in zinc chromate spinel Philosophical Magazine A. 72: 651-668. DOI: 10.1080/01418619508243791 |
0.385 |
|
| 1995 |
Yan M, Chen SP, Mitchell TE, Gay DH, Vyas S, Grimes RW. Atomistic studies of energies and structures of (hk0) surfaces in NiO Philosophical Magazine A. 72: 121-138. DOI: 10.1080/01418619508239586 |
0.769 |
|
| 1995 |
Lewis DW, Grimes RW, Catlow CA. Defect processes at low coordinate surface sites of MgO and their role in the partial oxidation of hydrocarbons Journal of Molecular Catalysis a: Chemical. 100: 103-114. DOI: 10.1016/1381-1169(95)00160-3 |
0.766 |
|
| 1993 |
Jentys A, Grimes RW, Gale JD, Catlow CRA. Structural properties of cadmium oxide and cadmium sulfide clusters in zeolite Y The Journal of Physical Chemistry. 97: 13535-13538. DOI: 10.1021/J100153A019 |
0.522 |
|
| 1993 |
Grimes RW, Gale JD. Exploring the stability, structure, and electronic properties of zirconium, titanium, vanadium, iron, and silicon metallocarbohedrenes The Journal of Physical Chemistry. 97: 4616-4620. DOI: 10.1021/J100120A011 |
0.475 |
|
| 1993 |
Catlow C, Gale J, Grimes R. Recent Computational Studies in Solid State Chemistry Journal of Solid State Chemistry. 106: 13-26. DOI: 10.1006/Jssc.1993.1260 |
0.52 |
|
| 1991 |
Grimes RW, Fitch AN. Thermal decomposition of cobalt(II) acetate tetrahydrate studied with time-resolved neutron diffraction and thermogravimetric analysis Journal of Materials Chemistry. 1: 461. DOI: 10.1039/Jm9910100461 |
0.306 |
|
| 1990 |
Ball RGJ, Grimes RW. Diffusion of Xe in UO2 Journal of the Chemical Society, Faraday Transactions. 86: 1257. DOI: 10.1039/Ft9908601257 |
0.319 |
|
| 1990 |
Grimes RW, Onwood D. Computational study of the formation of metal-oxide diatomics and clusters Journal of the Chemical Society, Faraday Transactions. 86: 233. DOI: 10.1039/Ft9908600233 |
0.355 |
|
| 1990 |
Grimes RW, Miller RH, Catlow C. The behaviour of helium in UO2: Solution and migration energies Journal of Nuclear Materials. 172: 123-125. DOI: 10.1016/0022-3115(90)90016-G |
0.319 |
|
| 1989 |
Grimes RW, Catlow CRA, Stoneham AM. Quantum-mechanical cluster calculations and the Mott–Littleton methodology J. Chem. Soc., Faraday Trans. 2. 85: 485-495. DOI: 10.1039/F29898500485 |
0.337 |
|
| 1987 |
Grimes RW, Anderson AB, Heuer AH. Interaction of dopant cations with 4:1 defect clusters in non-stoichiometric 3d transition metal monoxides: A theoretical study Journal of Physics and Chemistry of Solids. 48: 45-50. DOI: 10.1016/0022-3697(87)90141-7 |
0.385 |
|
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