King's College London

Research portal

Professor Anthony Paxton

  1. Hydrogen suppression of dislocation cell formation in micro and nano indentation of pure iron single crystals

    Gong, P., Katzarov, I., Nutter, J., Paxton, A. T., Wynne, B. & Rainforth, W. M., 15 Mar 2021, In: SCRIPTA MATERIALIA. 194, 113683.

    Research output: Contribution to journalArticlepeer-review

  2. Effect of hydrogen on vacancy diffusion

    Echeverri Restrepo, S., Lambert, H. & Paxton, A. T., 4 Nov 2020, In: Physical Review Materials. 4, 11, 113601.

    Research output: Contribution to journalArticlepeer-review

  3. Effect of applied strain on the interaction between hydrogen atoms and 1/2⟨111⟩ screw dislocations in α-iron

    Simpson, L. & Paxton, A., 21 Jul 2020, In: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY. 45, 38, p. 20069-20079 11 p.

    Research output: Contribution to journalArticlepeer-review

  4. 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 journalArticlepeer-review

  5. The influence of hydrogen on plasticity in pure iron—theory and experiment

    Gong, P., Katzarov, I. H., Nutter, J., Paxton, A. T. & Rainforth, W. M., 2020, In: Scientific Reports. 10, 1, 10209.

    Research output: Contribution to journalArticlepeer-review

  6. 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 journalArticlepeer-review

  7. 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 journalArticlepeer-review

  8. 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 journalArticlepeer-review

  9. 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 journalArticlepeer-review

  10. 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 journalArticlepeer-review

  11. 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. 225901-1-225901-6 225901 .

    Research output: Contribution to journalLetterpeer-review

  12. Hydrogen embrittlement II. Analysis of hydrogen-enhanced decohesion across (111) planes in α-Fe

    Katsarov, I. H. & Paxton, A. T., 8 Aug 2017, In: Physical Review Materials. 1, 3, 10 p., 033603.

    Research output: Contribution to journalArticlepeer-review

  13. 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 paperpeer-review

  14. 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 journalArticlepeer-review

  15. 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 journalArticlepeer-review

  16. Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water

    Lozovoi, A. Y., Pashov, D. L., Sheppard, T. J., Kohanoff, J. J. & Paxton, A. T., 28 Jul 2014, In: Journal of Chemical Physics. 141, 4, 044505.

    Research output: Contribution to journalArticlepeer-review

  17. 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 journalArticlepeer-review

  18. 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

  19. 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 journalArticlepeer-review

  20. 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

  21. 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 journalArticlepeer-review

  22. 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 journalArticlepeer-review

  23. 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

  24. 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 journalArticlepeer-review

  25. 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 journalArticlepeer-review

  26. Electronic structure and total energy of interstitial hydrogen in iron: Tight-binding models

    Paxton, A. & Elsässer, C. A. B., 2010, In: Physical Review B (Condensed Matter and Materials Physics). 82, 23, 235125.

    Research output: Contribution to journalArticlepeer-review

  27. 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 journalArticlepeer-review

  28. Atomistic studies of interactions between the dominant lattice dislocations and γ/γ-lamellar boundaries in lamellar γ-TiAl

    Katsarov, I. & Paxton, A. T., Jun 2009, In: ACTA MATERIALIA. 57, 11, p. 3349-3366 18 p.

    Research output: Contribution to journalArticlepeer-review

  29. 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 journalArticlepeer-review

  30. Boron in copper: A perfect misfit in the bulk and cohesion enhancer at a grain boundary

    Lozovoi, A. Y. & Paxton, A. T., 2008, In: Physical Review B (Condensed Matter and Materials Physics). 77, 16, 14 p., 165413.

    Research output: Contribution to journalArticlepeer-review

  31. 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 journalArticlepeer-review

  32. 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 journalArticlepeer-review

  33. Structural and chemical embrittlement of grain boundaries by impurities: A general theory and first-principles calculations for copper

    Lozovoi, A. Y., Paxton, A. T. & Finnis, M. W., 16 Oct 2006, In: Physical Review B (Condensed Matter and Materials Physics). 74, 15, p. N/A 13 p., 155416.

    Research output: Contribution to journalArticlepeer-review

  34. 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 journalArticlepeer-review

  35. 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 journalArticlepeer-review

  36. 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 journalArticlepeer-review

  37. 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 journalArticlepeer-review

  38. 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 journalArticlepeer-review

  39. 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 journalArticlepeer-review

  40. 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

  41. 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 journalArticlepeer-review

  42. 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 journalArticlepeer-review

  43. 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

  44. 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 journalArticlepeer-review

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