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Professor Anthony Paxton

  1. Accepted/In press
  2. Influence of hydrogen core force shielding on dislocation junctions in iron

    Yu, H., Katzarov, I. H., Paxton, A. T., Cocks, A. C. F. & Tarleton, E., Mar 2020, In : Physical Review Materials. 4, 3, 033607.

    Research output: Contribution to journalArticle

  3. Local volume effects in the generalized pseudopotential theory

    Skinner, G. C. G., Paxton, A. T. & Moriarty, J. A., Jun 2019, In : Physical Review B. 99, 21, p. 1-11 11 p., 214107.

    Research output: Contribution to journalArticle

  4. Embrittlement of an elasto-plastic medium by an inclusion

    Cimbaro, L., Sutton, A., Balint, D., Paxton, A. T. & Hardy, M., Mar 2019, In : INTERNATIONAL JOURNAL OF FRACTURE. 216, 1, p. 87-100 14 p.

    Research output: Contribution to journalArticle

  5. Effects of calcium on planar fault energies in ternary magnesium alloys

    Andritsos, E. & Paxton, A. T., 16 Jan 2019, In : Physical Review Materials. 3, 1, p. 1-9 9 p., 013607.

    Research output: Contribution to journalArticle

  6. Density functional theory calculations of iron - vanadium carbide interfaces and the effect of hydrogen

    Echeverri Restrepo, S., Di Stefano, D., Mrovec, M. & Paxton, A. T., 1 Jan 2019, In : INTERNATIONAL JOURNAL OF HYDROGEN ENERGY. 45, 3, p. 2382-2389

    Research output: Contribution to journalArticle

  7. A Crystal Plasticity Assessment of Normally-loaded Sliding Contact in Rough Surfaces and Galling

    Barzdajn, B., Paxton, A. T., Stewart, D. & Dunne, F. P. E., Dec 2018, In : JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS. 121, p. 517-542 26 p.

    Research output: Contribution to journalArticle

  8. Hydrogen diffusion and trapping in  alpha-iron: The role of quantum and anharmonic fluctuations

    Cheng, B., Paxton, A. T. & Ceriotti, M., 1 Jun 2018, In : Physical Review Letters. 120, 22, p. 1-6 225901 .

    Research output: Contribution to journalLetter

  9. The challenges of hydrogen and metals

    Paxton, A. T., Sutton, A. & Finnis, M., 12 Jun 2017, Philosophical Transactions of the Royal Society A. 2098 ed. London: Royal Society, Vol. 375. 8 p.

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  10. Quantum and isotope effects on hydrogen diffusion, trapping and escape in iron

    Paxton, A. T. & Katsarov, I. H., 15 Jan 2016, In : ACTA MATERIALIA. 103, p. 71-76

    Research output: Contribution to journalArticle

  11. Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules

    Sheppard, T., Lozovoi, A. Y., Pashov, D., Kohanoff, J. J. & Paxton, A., 28 Jul 2014, In : Journal of Chemical Physics. 141, 4, 044503.

    Research output: Contribution to journalArticle

  12. From quantum mechanics to physical metallurgy of steels

    Paxton, A., Jul 2014, In : MATERIALS SCIENCE AND TECHNOLOGY. 30, 9, p. 1063-1070 8 p.

    Research output: Contribution to journalArticle

  13. Industrially-Relevant Multiscale Modelling of Hydrogen Assisted Degradation

    Winzer, N., Di Stefano, D., Mrovec, M., Katsarov, I. & Paxton, A., 2014, Hydrogen-Materials Interactions: Proceedings of the 2012 International Hydrogen Conference. Somerday, B. & Sofronis, P. (eds.). ASME Press, p. 737-746 10 p. 79

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  14. In preparation

    Quantum rate theory of the trapping of hydrogen and deuterium by a vacancy in iron

    Katsarov, I. & Paxton, A., 2014, (In preparation) Proceedings of the 2nd International Conference on Steel and Hydrogen. Duprez, L. (ed.). p. F01

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  15. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

    Lozovoi, A. Y., Sheppard, T., Pashov, D., Kohanoff, J. J. & Paxton, A., 2014, In : Journal of Chemical Physics. 141, 4, 044504.

    Research output: Contribution to journalArticle

  16. Practical applications of first principles and empirical quantum mechanics in materials modelling

    Paxton, A., 2013, Engineering Structural Integrity Assessment: Where are we today?. Flewitt, P., Heyes, P. F., Sharples, J. K. & Tomkins, B. (eds.). Warrington: EMAS Publishing, p. 303-315

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  17. An ignition key for atomic-scale engines

    Dundas, D., Cunningham, B., Buchanan, C., Terasawa, A., Paxton, A. T. & Todorov, T. N., 2012, In : Journal of Physics Condensed Matter. 24, 40

    Research output: Contribution to journalArticle

  18. A tight binding model for water

    Paxton, A. T. & Kohanoff, J. J., 2011, In : Journal of Chemical Physics. 134, 4, 11 p., 044130 .

    Research output: Contribution to journalArticle

  19. MultiHy: an EU-FP7-NMP Project on Multiscale Modelling of Hydrogen Embrittlement

    Winzer, N., Mrovec, M. & Paxton, A., 2011, Proceedings of the International Conference on Steel and Hydrogen. Duprez, L. (ed.).

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  20. Nonconservative current-induced forces: A physical interpretation

    Todorov, T. N. A., Dundas, D. A., Paxton, A. & Horsfield, A. P. B., 2011, In : Beilstein Journal of Nanotechnology. 2, 1, p. 727-733 7 p.

    Research output: Contribution to journalArticle

  21. Microscopic origin of channeled flow in lamellar titanium aluminide

    Katsarov, I. & Paxton, A. T., Jun 2010, In : Physical Review Letters. 104, 22, 4 p., 225502.

    Research output: Contribution to journalArticle

  22. Ring currents in azulene

    Paxton, A., Todorov, T. N. B. & Elena, A. M. B., Nov 2009, In : CHEMICAL PHYSICS LETTERS. 483, 1-3, p. 154-158 5 p.

    Research output: Contribution to journalArticle

  23. Atomistic studies of 101] screw dislocation core structures and glide in -TiAl

    Katsarov, I. & Paxton, A. T., 2009, In : PHILOSOPHICAL MAGAZINE. 89, 21, p. 1731-1750 20 p.

    Research output: Contribution to journalArticle

  24. Magnetic tight binding and the iron-chromium enthalpy anomaly

    Paxton, A. & Finnis, M. W., 2008, In : Physical Review B (Condensed Matter and Materials Physics). 77, 2, 16 p., 024428.

    Research output: Contribution to journalArticle

  25. Atomistic study of ordinary 1/2 〈 110] screw dislocations in single-phase and lamellar γ-TiAl

    Katsarov, I., Cawkwell, M. J., Paxton, A. & Finnis, M. W. C., 2007, In : PHILOSOPHICAL MAGAZINE. 87, 12, p. 1795-1809 15 p.

    Research output: Contribution to journalArticle

  26. Theory of the near K-edge structure in electron energy loss spectroscopy

    Paxton, A. T., May 2005, In : JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. 143, 2-3, p. 51-64 14 p.

    Research output: Contribution to journalArticle

  27. Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

    Liborio, L. M., Sánchez, C. G., Paxton, A. T. & Finnis, M. W., 2005, In : Journal of Physics Condensed Matter. 17, 23, p. L223-L230

    Research output: Contribution to journalArticle

  28. Bismuth embrittlement of copper is an atomic size effect

    Schweinfest, R., Paxton, A. T. & Finnis, M. W., 23 Dec 2004, In : NATURE. 432, 7020, p. 1008-1011 4 p.

    Research output: Contribution to journalArticle

  29. SrTiO3(001)(2×1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

    Johnston, K., Castell, M. R., Paxton, A. & Finnis, M., 26 Aug 2004, In : Physical Review B (Condensed Matter and Materials Physics). 70, 8, p. 085415-1-085415-12 12 p., 085415.

    Research output: Contribution to journalArticle

  30. Erratum: On the solvation of L-aspartic acid (Moleculer Physics 102:9-10 (953-958))

    Paxton, A. & Harper, J. B. B., 2004, In : Molecular Physics. 102, 18, p. 1981 1 p.

    Research output: Contribution to journalArticle

  31. Bandstructure approach to near edge structure

    Paxton, A., Craven, A. J. B., Gregg, J. M. A. & McComb, D. W. C., Apr 2003, In : Journal of Microscopy. 210, 1, p. 35-44 10 p., N/A.

    Research output: Contribution to journalArticle

  32. Study of dislocations and stress in silicon-on-insulator tubs using transmission electron microscopy and finite element modelling

    McMullan, AJ., O'Mahoney, D., Nevin, WA., Paxton, AT. & Gregg, JM., 2003, SEMICONDUCTOR WAFER BONDING VII: SCIENCE, TECHNOLOGY, AND APPLICATIONS, PROCEEDINGS. Bengtsson, S., Baumgart, H., Hunt, CE. & Suga, T. (eds.). PENNINGTON: ELECTROCHEMICAL SOCIETY INC, p. 39-48 10 p. (ELECTROCHEMICAL SOCIETY SERIES; vol. 2003).

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  33. A stabilization mechanism of zirconia based on oxygen vacancies only

    Fabris, S., Paxton, A. T. & Finnis, M. W., 3 Dec 2002, In : ACTA MATERIALIA. 50, 20, p. 5171-5178 8 p., N/A.

    Research output: Contribution to journalArticle

  34. Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia

    Ostanin, S., Craven, A. J., McComb, D. W., Vlachos, D., Alavi, A., Paxton, A. T. & Finnis, M. W., 2002, In : Physical Review B (Condensed Matter and Materials Physics). 65, 22, p. 2241091-2241099 9 p.

    Research output: Contribution to journalArticle

  35. The use of XANES and ELNES for the characterisation of stabilised zirconia.

    McComb, DW., Ostanin, S., Vlachos, D., Craven, AJ., Finnis, MW., Paxton, AT. & Alavi, A., 2002, ELECTRICALLY BASED MICROSTRUCTURAL CHARACTERIZATION III. Gerhardt, RA., Washabaugh, AP., Alim, MA. & Choi, GM. (eds.). WARRENDALE: MATERIALS RESEARCH SOCIETY, p. 161-166 6 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 699).

    Research output: Chapter in Book/Report/Conference proceedingConference paper

  36. Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia

    Fabris, S., Paxton, A. T. & Finnis, M. W., 2001, In : Physical Review B (Condensed Matter and Materials Physics). 63, 9, p. 941011-9410113 8469103 p.

    Research output: Contribution to journalArticle

  37. Material Effects on Stress-Induced Defect Generation in Trenched Silicon-on-Insulator Structures

    Nevin, W. A. A. C., Somasundram, K. A., McCann, P. A. C., Magee, S. B. & Paxton, A., 2001, In : Journal of the Electrochemical Society. 148, 11, p. G649-G654

    Research output: Contribution to journalArticle

  38. Effect of relaxation on the oxygen K-edge electron energy-loss near-edge structure in yttria-stabilized zirconia

    Ostanin, S., Craven, A. J., McComb, D. W., Vlachos, D., Alavi, A., Finnis, M. W. & Paxton, A. T., 1 Dec 2000, In : Physical Review B (Condensed Matter and Materials Physics). 62, 22, p. 14728-14735 8 p.

    Research output: Contribution to journalArticle

  39. Relative energetics and structural properties of zirconia using a self-consistent tight-binding model

    Fabris, S., Paxton, A. T. & Finnis, M. W., Mar 2000, In : Physical Review B (Condensed Matter and Materials Physics). 61, 10, p. 6617-6630 14 p.

    Research output: Contribution to journalArticle

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