Reports and Publications

     Newsletters:

MultiHy Update #1, November 2011

MultiHy Update #2, June 2012

MultiHy Update #3, February 2013

MultiHy Update #4, July 2013
Journal Papers:

S. Jothi, T. N. Croft, S. G. R. Brown and E. A. de Souza Neto, "Finite element microstructural homogenization techniques and intergranular, intragranular microstructural effects on effective diffusion coefficient of heterogeneous polycrystalline composite media", Composite Structures, 108, pp. 555-564, (2014), doi: 10.1016/j.compstruct.2013.09.026

Yi-Shen Lin, M Mrovec and V Vitek, "A new method for development of bond-order potentials for transition bcc metals", Modelling and Simulation in Materials Science and Engineering, 22, pp. 1-22, (2014), doi: 10.1088/0965-0393/22/3/034002

I. H. Katzarov, D. L. Pashov and A. 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, 87, Article 054107, (2013), doi:10.1103/PhysRevB.88.054107
 
  Conference Papers:

I. H. Katzarov and A. T. Paxton, "Quantum rate theory of the trapping of hydrogen and deuterium by a vacancy in iron," paper to be presented at the second International Conference on Metals and Hydrogen, Gent, 5-7 May 2014. http://arxiv.org/abs/1401.4530

A. T. Paxton, "From quantum mechanics to the physical metallurgy of steels," paper presented at "Adventures in the Physical Metallurgy of Steels,"  Proceedings to be published in Materials Science and Technology, Cambridge, July 2013.  http://arxiv.org/abs/1310.3778

N. Winzer, "Multiscale modelling of hydrogen embrittlement: application to industrial problems", ESIA12 - Engineering Structural Integrity Assessment: Where are we now?, Manchester, 28-29 May 2013

S. Jothi, T. N. Croft, S. G. R. Brown and E. de Souza Neto, "Multiscale modelling of hydrogen embrittlement in polycrystalline materials ", ESIA12 - Engineering Structural Integrity Assessment: Where are we now?, Manchester, 28-29 May 2013

O. Rott, "Modelling and simulation of hydrogen transport in steel", ESIA12 - Engineering Structural Integrity Assessment: Where are we now?, Manchester, 28-29 May 2013