Professor Tony Paxton

Department of Physics

King's College London

Strand

London WC2R 2LS

Telephone: +44 (0)20 7848 7476

Email: tony.paxton@kcl.ac.uk

Office: S6.21

https://orcid.org/0000-0003-4182-8210

Quantum Corrosion

MATLeS

Teaching

5CCP2380 Electromagnetism

Selected Publications

Google Scholar Publications List

• 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

Animations

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.

• Molecular dynamics simulations of hydrogen and carbon in iron
• Kinetic Monte Carlo simulations of the effects of hydrogen on screw dislocation velocity in iron
• Atomistic simulations in water and on surfaces using polarisable ion tight binding theory

Lectures

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

Lecture notes

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.

• Equations of motion in electrodynamics This is my tribute to the late Professor Alessandro De Vita.
• Fields and Waves First year physics course, taught at King's College 2014-2017. Mostly oscillations, resonance, electrostatics and magnetostatics in vacuum
• Second year Electromagnetism I am still teaching this course, but it will have to be much attenuated and revised in these says of SARS-COV-2. So it makes sense to me to put up these notes here in the form that I used them last year. In combination with Fields and Waves they make up an introductory course in Electromagnetism
• Solid State Physics Third year course taught at Queen's University Belfast, 2007-2012
• Electronic Structure Graduate lectures, mostly density functional theory
• Elastic and inelastic scattering of electrons
• Lecture notes on Steel delivered at Imperial College, 2015-2018
• A jolly lecture on quench and tempering
• The complete lecture notes and lecture slides
• Notes on solid state diffusion
• Elementary thermodynamics (an extended version appears as an appendix to the electrochemistry notes, below
• Notes on solubility products in microalloy steel. (With Vivian Tong, now at NPL I fear)
• Electrochemistry notes I wrote these as the attempt of a physicist to get to grips with the mysterious subject of electrochemistry. My intention is that these notes will comprise Part I (equilibrium) and that later I will write Part II (kinetics), but when I try to start on Part II, events intervene...

Last modified: 6 Jan 2021 (Tony Paxton)