|Professor Tony Paxton|
|Senior Research Investigator||Emeritus Professor|
|Department of Materials||Department of Physics|
|Imperial College London||King's College London|
|South Kensington Campus||Strand|
|Royal School of Mines||London WC2R 2LS|
|Prince Consort Road|
|London SW7 2AZ|
|Office 2M.13||Office S6.21|
Tony Paxton at Imperial College London
Tony Paxton at Thomas Young Centre
Royal Society Scientific Discussion Meeting: The challenges of hydrogen and metals.
Proceedings in Philosophical Transactions of the Royal Society, 375 (2017)
Google Scholar Publications List
- I. H. Katzarov, L. B. Drenchev, D. L. Pashov, T. N. A. T. Zarouk, O. Al-lahham and A. T. Paxton Dynamic strain aging and the role of the Cottrell atmosphere, Physical Review Materials, 6, art. 063603 (2022)
- Sebastián Echeverri Restrepo, Henry Lambert and Anthony T. Paxton Effect of hydrogen on vacancy diffusion, Physical Review Materials, 4, art. 113601 (2020)
- Martina Ruffino, Guy C. G. Skinner, Eleftherios I. Andritsos and Anthony T. Paxton Ising-like models for stacking faults in a free electron metal , Proceedings of the Royal Society A, 476 art. 20200319 (2020)
- E. Luke Simpson and Anthony T. Paxton Effect of applied strain on the interaction between hydrogen atoms and ½<111> screw dislocations in α-Fe, International Journal of Hydrogen Energy, 45, 20069-20079 (2020)
- Peng Gong, Ivaylo H. Katzarov, John Nutter, Anthony T. Paxton and W. Mark Rainforth, The influence of hydrogen on plasticity in pure iron: theory and experiment, Scientific Reports, 10, art. 10209 (2020)
- Haiyang Yu, Ivaylo H. Katzarov, Anthony T. Paxton, Alan C. F. Cocks and Edmund Tarleton Influence of hydrogen core force shielding on dislocation junctions in iron, Physical Review Materials, 4, art. 033607 (2020)
- G. C. G. Skinner, A. T. Paxton and J. A. Moriarty, Local volume effects in generalized pseudopotential theory, Physical Review B, 99, art. 214107 (2019)
- L. Cimbaro, A. P. Sutton, D. S. Balint, A. T. Paxton, M. C. Hardy Embrittlement of an elasto-plastic medium by an inclusion, International Journal of Fracture, 216, pp. 87-100 (2019)
- E. I. Andritsos and A. T. Paxton, Effects of calcium on planar fault energies in ternary magnesium alloys, Physical Review Materials, 3, art. 013607 (2019)
- Bingqing Cheng, Anthony T. Paxton and Michele Ceriotti, Hydrogen diffusion and trapping in α-Fe: the role of quantum and anharmonic fluctuations, Physical Review Letters, 120, art. 225901 (2018)
- Bartosz Barzdajn, Anthony T. Paxton, David Stewart and Fionn P. E. Dunne, A crystal plasticity assessment of normally-loaded sliding contact in rough surfaces and galling, J. Mech. Phys. Solids, 121, 517-542 (2018)
- Ivaylo H. Katzarov, Dimitar L. Pashov and Anthony T. Paxton, Hydrogen embrittlement I. Analysis of hydrogen-enhanced localized plasticity: effect of hydrogen on the velocity of screw dislocations in α-Fe, Physical Review Materials, 1, art. 033602 (2017)
- Ivaylo H. Katzarov, and Anthony T. Paxton, Hydrogen embrittlement II. Analysis of hydrogen-enhanced decohesion across (111) planes in α-Fe, Physical Review Materials, 1, art. 033603 (2017)
- Anthony T. Paxton and Ivaylo H. Katzarov, Quantum and isotope effects on hydrogen diffusion, trapping and escape in iron, Acta Materialia, 103, 71-76 (2016)
- T. J. Sheppard, A. Y. Lozovoi, D. L. Pashov, J. J. Kohanoff and A. T. Paxton, Universal tight binding model for chemical reactions in solution and at surfaces. I Organic molecules J. Chemical Physics, 141 art. 044503 (2014)
- A. Y. Lozovoi, T. J. Sheppard, D. L. Pashov, J. J. Kohanoff and A. T. Paxton, Universal tight binding model for chemical reactions in solution and at surfaces. II Water J. Chemical Physics, 141 art. 044504 (2014)
- A. Y. Lozovoi, T. J. Sheppard, D. L. Pashov, J. J. Kohanoff and A. T. Paxton, Universal tight binding model for chemical reactions in solution and at surfaces. III Stoichiometric and reduced surfaces of titania and the adsorption of water J. Chemical Physics, 141 art. 044505 (2014)
- Anthony T. Paxton From quantum mechanics to the physical metallurgy of steels, Materials Science and Technology, 30, 1063-1070 (2013)
- Ivaylo H. Katzarov, Dimitar L. Pashov and Anthony T. Paxton, Fully quantum mechanical calculation of the diffusivity of hydrogen in iron using the tight-binding approximation and path integral theory, Physical Review B, 88, art. 054107 (2013)
- A. T. Paxton and C. Elsaesser, Analysis of a carbon dimer bound to a vacancy in iron using density functional theory and a tight binding model, Physical Review B, 87, art. 224110 (2013)
- A. T. Paxton and C. Elsaesser, Electronic structure and total energy of interstitial hydrogen in iron: Tight-binding models Physical Review B, 82, art. 235125 (2010)
- Ivaylo H. Katzarov and Anthony T. Paxton, Microscopic origin of channeled flow in lamellar titanium aluminide, Physical Review Letters, 104, art. 225502 (2010)
- A. T. Paxton, T. N. Todorov and A. M. Elena, Ring currents in Azulene, Chemical Physics Letters, 483, 154-158 (2009)
- Anthony T. Paxton and Michael W. Finnis, Magnetic tight binding and the iron-chromium enthalpy anomaly, Physical Review B, 77, art. 024428 (2008)
- Rainer Schweinfest, Anthony T. Paxton and Michael W. Finnis, Bismuth embrittlement of copper is an atomic size effect, Nature, 432 23/30 December 2004, p 1008
A big part of doing theoretical metallurgy is the making of simulations in the computer. As long as sensible approximations are made and reasonably realistic models are constructed then these can be extremely useful and even predictive. Great fun can be had making movies of these and such animations can be quite insightful. Here are one or two examples from recent work in my group.
The movies embedded in these pages do not display on all browsers. So I have also made links from each movie to a YouTube player.
Two lectures on tight binding delivered at EPFL Lausanne, August 2015, and some lecture notes.
- Lecture 1
- Lecture 2
- Lecture notes A. T. Paxton, "An Introduction to the Tight Binding Approximation: Implementation by Diagonalisation," in, "Multiscale Simulation Methods in Molecular Sciences," eds. J. Grotendorst, N. Attig, S. Blügel and D. Marx, NIC Series Volume 42, Institute for Advanced Simulation Jülich Supercomputing Centre, 2009. ISBN 978-3-9810843-8-2
When I'm preparing new lecture courses I frequently find it very useful to consult notes that other lecturers have put on their web pages for their students. So with absolutely no guarantee and in the hope that they will be useful here are some of mine.
Almost a book
Electrode and Corrosion Physics is as close as I'll ever get to writing a book. I wrote these notes as the attempt of a physicist to get to grips with the mysterious subject of electrochemistry. I started these in 2018 and got as far as the equilibrium aspects in March 2020. The thermodynamics of charged ions is in particular a mine field. There followed a hiatus of one year (the covid year) and in July 2021 I completed the final sections on kinetics and corrosion. I hope that these are useful to some people and I welcome constructive comments.
Last modified: 17 July 2022 (Tony Paxton)