Relating the formation energies for oxygen vacancy defects to the structural properties of tungsten oxides

Kerr, R. D., Gilbert, M. R. & Murphy, S. T., 30/04/2025, In: Computational Materials Science. 252, 113781.

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

Roadmap for the investigation of irradiation effects in HTS for fusion

Torsello, D., Celentano, G., Civale, L., Corato, V., Eisterer, M., Gambino, D., Murphy, S. T., Speller, S. C. & Laviano, F., 16/04/2025, (Accepted/In press) In: Superconductor Science and Technology.

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

Tritium Accommodation and Diffusion in Li8PbO6 from First-Principles Simulations

Davies, A. W. & Murphy, S. T., 30/01/2025, In: The Journal of Physical Chemistry C. 129, 4, p. 2274-2287 14 p.

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

Molecular dynamics simulations of the effect of porosity on heat transfer in Li2TiO3

Sanjeev, M., Gilbert, M. R. & Murphy, S. T., 31/05/2024, In: Fusion Engineering and Design. 202, 114344.

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

A modified two temperature molecular dynamics (2T-MD) model for cascades

Rojano, A., Hunt, R., Crocombette, J.-P. & Murphy, S. T., 22/05/2024, In: Journal of Physics: Condensed Matter. 36, 33, 335901.

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

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 others, Hathout, 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