The incorporation of xenon at point defects and bubbles in uranium mononitride

Li, J. J., Zagni, N., Neilson, W. D., Gray, R. L. & Murphy, S. T., 1/12/2023, In: Journal of Nuclear Materials. 586, 154656.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

High-Temperature Intrinsic Defect Chemistry of Li₈PbO₆ Ceramic Breeding Material

Davies, A. W., Neilson, W. D., Bedford, R. T. & Murphy, S. T., 16/11/2023, In: The Journal of Physical Chemistry C. 127, 45, p. 22265-22276 12 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Mg/Zn metal-air primary batteries using silk fibroin-ionic liquid polymer electrolytes

Haskew, M., Nikman, S., O'Sullivan, C., Galeb, H., Halcovitch, N., Hardy, J. & Murphy, S., 31/01/2023, In: Nano Select. 4, 1, p. 90-101 12 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Thermal conductivity of non-stoichiometric Li 2 TiO 3

Sanjeev, M., Gilbert, M. R. & Murphy, S. T., 15/12/2022, In: Journal of Nuclear Materials. 572, 7 p., 154037.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Multilayer interface tracking model of pure tungsten oxidation

Huang, S., Kerr, R., Murphy, S. T., Gilbert, M. R. & Marian, J., 1/12/2022, In: Modelling and Simulation in Materials Science and Engineering. 30, 8, 25 p., 085015.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Thermodynamics and phase stability of Li₈XO₆ octalithium ceramic breeder materials (X = Pb, Ce, Ge, Zr, Sn)

Davies, A. W. & Murphy, S. T., 31/08/2022, In: Journal of Physics: Condensed Matter. 34, 35, 14 p., 355701.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

DefAP: A Python code for the analysis of point defects in crystalline solids

Neilson, W. D. & Murphy, S. T., 31/07/2022, In: Computational Materials Science. 210, 11 p., 111434.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Accommodation of helium in PuO

Neilson, W. D., Steele, H., Kaltsoyannis, N. & Murphy, S. T., 14/04/2022, In: Physical Chemistry Chemical Physics. 24, p. 2845-8250 6 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Molecular dynamics simulations of radiation damage in YBa2Cu3O7

Gray, R., Rushton, M. J. D. & Murphy, S. T., 7/02/2022, In: Superconductor Science and Technology. 35, 3, 16 p., 035010.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Diffusion in hypo-stoichiometric uranium mononitride

Li, J. & Murphy, S., 31/12/2021, In: Progress in Nuclear Energy. 142, 6 p., 103995.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Atomistic Simulation of Water Incorporation and Mobility in Bombyx mori Silk Fibroin

Haskew, M., Deacon, B., Yong, C., Hardy, J. & Murphy, S., 28/12/2021, In: ACS Omega. 6, 51, p. 35494-35504 11 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The accommodation of lithium in bulk ZrO2

Stephens, G. F., Than, Y. R., Neilson, W., Evitts, L. J., Wenman, M. R., Murphy, S. T., Grimes, R. W., Cole-Baker, A., Ortner, S., Gotham, N., Rushton, M. J. D., Lee, W. E. & Middleburgh, S. C., 15/12/2021, In: Solid State Ionics. 373, 7 p., 115813.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Anisotropic thermal conductivity in Li2TiO3 ceramic breeder materials

Sanjeev, M., Gilbert, M. & Murphy, S., 30/09/2021, In: Fusion Engineering and Design. 170, 8 p., 112710.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Fundamental properties of octalithium plumbate ceramic breeder material

Davies, A. W. & Murphy, S. T., 15/08/2021, In: Journal of Nuclear Materials. 552, 8 p., 152982.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Evolving Defect Chemistry of (Pu,Am)O2± x

Neilson, W. D., Steele, H. & Murphy, S. T., 22/07/2021, In: The Journal of Physical Chemistry C. 125, 28, p. 15560-15568 9 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Potential for Chemistry in Multidisciplinary, Interdisciplinary, and Transdisciplinary Teaching Activities in Higher Education

Hardy, J., Sdepanian, S., Stowell, A., Aljohani, A., Allen, M., Anwar, A., Barton, D., Baum, J., Bird, D., Blaney, A., Brewster, L., Cheneler, D., Efremova, O., Entwistle, M., Esfahani, R., Firlak, M., Foito, A., Forciniti, L., Geissler, S., Guo, F., & 19 othersHathout, R., Jiang, R., Kevin, P., Leese, D., Low, W. L., Mayes, S., Mozafari, M., Murphy, S., Nguyen, H., Ntola, C., Okafo, G., Partington, A., Prescott, T., Price, S., Soliman, S., Sutar, P., Townsend, D., Trotter, P. & Wright, K., 4/03/2021, In: Journal of Chemical Education. 98, 4, p. 1124–1145 22 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The defect chemistry of non-stoichiometric PuO2±x

Neilson, W. D., Pegg, J. T., Steele, H. & Murphy, S. T., 11/02/2021, In: Physical Chemistry Chemical Physics. 23, 8, p. 4544-4554 11 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Melanins As Sustainable Resources For Advanced Biotechnological Applications

Galeb, H., Wilkinson, E., Stowell, A., Lin, H., Murphy, S., Martin-Hirsch, P., Mort, R., Taylor, A. & Hardy, J., 1/02/2021, In: Global Challenges. 5, 2, 34 p., 2000102.

Research output: Contribution to Journal/Magazine › Literature review › peer-review

A point defect model for YBa2Cu3O7 from density functional theory

Murphy, S. T., 20/11/2020, In: Journal of Physics Communications. 4, 11, 14 p., 115003.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Influence of Lithium Vacancy Defects on Tritium Diffusion in β-Li₂TiO₃

Goswami, K. N. & Murphy, S. T., 11/06/2020, In: Journal of Physical Chemistry C. 124, 23, p. 12286-12294 9 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The conundrum of relaxation volumes in first-principles calculations of charged defects in UO2

Goyal, A., Mathew, K., Hennig, R. G., Chernatynskiy, A., Stanek, C. R., Murphy, S. T., Andersson, D. A., Phillpot, S. R. & Uberuaga, B. P., 4/12/2019, In: Applied Sciences. 9, 24, 24 p., 5276.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Visualization of ultrafast melting initiated from radiation-driven defects in solids

Mo, M., Murphy, S., Chen, Z., Fossati, P., Li, R., Wang, Y., Wang, X. & Glenzer, S., 24/05/2019, In: Science Advances. 5, 5, 9 p., eaaw0392.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Influence of vibrational entropy on the concentrations of oxygen interstitial clusters and uranium vacancies in nonstoichiometric UO2

Murphy, S., Soul, A., Bruneval, F., Marinica, M-C. & Crocombette, J-P., 28/08/2018, In: Physical Review Materials. 2, 083607

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The effect of Sn-VO defect clustering on Zr alloy corrosion

Bell, B. D. C., Murphy, S. T., Grimes, R. W. & Wenman, M. R., 15/08/2018, In: Corrosion Science. 141, p. 14-17 4 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Simulating electronically driven structural changes in silicon with two-temperature molecular dynamics

Darkins, R., Ma, P-W., Murphy, S. & Duffy, D., 1/07/2018, In: Physical Review B: Condensed Matter and Materials Physics. 98, 2, 11 p., 024304.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The defect chemistry of UO2±x from atomistic simulations

Cooper, M. W. D., Murphy, S. T. & Andersson, D. A., 06/2018, In: Journal of Nuclear Materials. 504, p. 251-260 10 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

A symbiotic approach to compact fission and fusion reactors

Pearson, R. J., Bluck, M. J. & Murphy, S. T., 29/10/2017, In: Transactions of the American Nuclear Society. 117, p. 378-381 4 p.

Research output: Contribution to Journal/Magazine › Conference article › peer-review

The effect of Nb on the corrosion and hydrogen pick-up of Zr alloys

Bell, B. D. C., Murphy, S. T., Grimes, R. W. & Wenman, M. R., 15/06/2017, In: Acta Materialia. 132, p. 425-431 7 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Dislocation loop formation by swift heavy ion irradiation of metals

Khara, G. S., Murphy, S. T. & Duffy, D. M., 12/06/2017, In: Journal of Physics: Condensed Matter. 29, 28, 9 p., 285303.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Formation of intrinsic and silicon defects in MoO3 under varied oxygen partial pressure and temperature conditions: an ab initio DFT investigation

Lambert, D. S., Murphy, S. T., Lennon, A. & Burr, P. A., 2017, In: RSC Advances. 7, 85, p. 53810-53821 12 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The influence of alloying elements on the corrosion of Zr alloys

Bell, B. D. C., Murphy, S. T., Burr, P. A., Comstock, R. J., Partezana, J. M., Grimes, R. W. & Wenman, M. R., 04/2016, In: Corrosion Science. 105, p. 36-43 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Contribution of electronic excitation of the structural evolution of ultrafast laser-irradiated tungsten nano films

Murphy, S., Giret, Y., Daraszewicz, S., Lim, A., Shluger, A., Tanimura, K. & Duffy, D., 9/03/2016, In: Physical Review B: Condensed Matter and Materials Physics. 93, 10 p., 104105.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Dynamical simulations of an electronically induced solid-solid phase transformation in tungsten

Murphy, S. T., Daraszewicz, S. L., Giret, Y., Watkins, M., Shluger, A. L., Tanimura, K. & Duffy, D. M., 15/10/2015, In: Physical review B. 92, 13, 9 p., 134110.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

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, R. W., Parfitt, D. C., Bishop, C. L., Murphy, S. T., Rushton, M. J. D., Staicu, D., Yakub, E., Nichenko, S., & 6 othersKrack, M., Devynck, F., Ngayam-Happy, R., Govers, K., Deo, C. S. & Behera, R. K., 14/06/2015, In: Journal of Nuclear Materials. 462, p. 475-495 21 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Thermophysical properties and oxygen transport in the (U-x,Pu1-x)O-2 lattice

Cooper, M. W. D., Murphy, S. T., Rushton, M. J. D. & Grimes, R. W., 06/2015, In: Journal of Nuclear Materials. 461, p. 206-214 9 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Accommodation of tin in tetragonal ZrO2

Bell, B. D. C., Murphy, S. T., Burr, P. A., Grimes, R. W. & Wenman, M. R., 28/02/2015, In: Journal of Applied Physics. 117, 8, 7 p., 084901.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Tritium Solubility in Li2TiO3 from First-Principles Simulations

Murphy, S. T., 26/12/2014, In: The Journal of Physical Chemistry C. 118, 51, p. 29525-29532 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Point defects and non-stoichiometry in thoria

Murphy, S. T., Cooper, M. W. D. & Grimes, R. W., 1/12/2014, In: Solid State Ionics. 267, p. 80-87 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The thermodynamics of hydride precipitation: The importance of entropy, enthalpy and disorder

Lumley, S. C., Grimes, R. W., Murphy, S. T., Burr, P. A., Chroneos, A., Chard-Tuckey, P. R. & Wenman, M. R., 15/10/2014, In: Acta Materialia. 79, p. 351-362 12 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Point defects and non-stoichiometry in Li₂TiO₃

Murphy, S. T. & Hine, N. D. M., 25/02/2014, In: Chemistry of Materials. 26, 4, p. 1629-1638 10 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Pipe diffusion at dislocations in UO2

Murphy, S., Jay, E. & Grimes, R., 2014, In: Journal of Nuclear Materials. 447, p. 143-149 7 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Hydrogen solubility in zirconium intermetallic second phase particles

Burr, P. A., Murphy, S. T., Lumley, S. C., Wenman, M. R. & Grimes, R. W., 11/2013, In: Journal of Nuclear Materials. 443, 1-3, p. 502-506 5 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Antisites and anisotropic diffusion in GaAs and GaSb

Tahini, H. A., Chroneos, A., Bracht, H., Murphy, S. T., Grimes, R. W. & Schwingenschloegl, U., 30/09/2013, In: Applied Physics Letters. 103, 14, 4 p., 142107.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Vacancies and defect levels in III-V semiconductors

Tahini, H. A., Chroneos, A., Murphy, S. T., Schwingenschloegl, U. & Grimes, R. W., 14/08/2013, In: Journal of Applied Physics. 114, 6, 9 p., 063517.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

The stability of alloying additions in Zirconium

Lumley, S. C., Murphy, S. T., Burr, P. A., Grimes, R. W., Chard-Tuckey, P. R. & Wenman, M. R., 06/2013, In: Journal of Nuclear Materials. 437, 1-3, p. 122-129 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Hydrogen accommodation in Zr second phase particles: Implications for H pick-up and hydriding of Zircaloy-2 and Zircaloy-4

Burr, P. A., Murphy, S. T., Lumley, S. C., Wenman, M. R. & Grimes, R. W., 04/2013, In: Corrosion Science. 69, p. 1-4 4 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Thermal conductivity and the isotope effect in Li2O

Lu, H., Murphy, S. T., Rushton, M. J. D., Parfitt, D. C. & Grimes, R. W., 11/2012, In: Fusion Engineering and Design. 87, 11, p. 1834-1838 5 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Free energy of Xe incorporation at point defects and in nanovoids and bubbles in UO2

Murphy, S. T., Chartier, A., Van Brutzel, L. & Crocombette, J-P., 5/04/2012, In: Physical review B. 85, 14, 9 p., 144102.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Phase stability and the arsenic vacancy defect in InxGa1-xAs

Murphy, S. T., Chroneos, A., Grimes, R. W., Jiang, C. & Schwingenschloegl, U., 17/11/2011, In: Physical review B. 84, 18, 7 p., 184108.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

General relationships for isovalent cation substitution into oxides with the rocksalt structure

Murphy, S. T., Lu, H. & Grimes, R. W., 05/2010, In: Journal of physics and chemistry of solids. 71, 5, p. 735-738 4 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Non-stoichiometry in MgAl2O4 spinel

Murphy, S. T., Gilbert, C. A., Smith, R., Mitchell, T. E. & Grimes, R. W., 2010, In: Philosophical Magazine. 90, 10, p. 1297-1305 9 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

A theoretical study of intrinsic point defects and defect clusters in magnesium aluminate spinel

Gilbert, C. A., Smith, R., Kenny, S. D., Murphy, S. T., Grimes, R. W. & Ball, J. A., 8/07/2009, In: Journal of Physics: Condensed Matter. 21, 27, 7 p., 275406.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Cation diffusion in magnesium aluminate spinel

Murphy, S. T., Uberuaga, B. P., Ball, J. B., Cleave, A. R., Sickafus, K. E., Smith, R. & Grimes, R. W., 16/02/2009, In: Solid State Ionics. 180, 1, p. 1-8 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Atomistic computer simulation of oxygen ion conduction mechanisms in La2NiO4

Cleave, A. R., Kilner, J. A., Skinner, S. J., Murphy, S. T. & Grimes, R. W., 15/09/2008, In: Solid State Ionics. 179, 21-26, p. 823-826 4 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Defect processes in MgAl2O4 spinel

Ball, J. A., Murphy, S. T., Grimes, R. W., Bacorisen, D., Smith, R., Uberuaga, B. P. & Sickafus, K. E., 06/2008, In: Solid State Sciences. 10, 6, p. 717-724 8 p.

Research output: Contribution to Journal/Magazine › Journal article › peer-review