Recent publications
Article
Singh, J, Nguyen-Manh, D, Mottura, A & Cai, B 2026, 'Electronic contribution of Frenkel defects to thermal conductivity in body centred cubic transition metals from first-principles study', Journal of Physics: Condensed Matter, vol. 38, no. 23, 235901. https://doi.org/10.1088/1361-648X/ae74a8
Arnold, JE, Woodgate, CD, Hafizi, R, Harris, MJ, Mottura, A, Fuentes, GG & Gurrutxaga-Lerma, B 2026, 'Thermodynamics and Phase Stability of the AlTiCrMoW High-Entropy Alloy Simulated Using Machine-Learned Interatomic Potentials', Physical Review Materials, vol. 10, no. 7, 073605. https://doi.org/10.1103/5tz1-zg9z
Breidi, A, Allen, J & Mottura, A 2024, 'First-principles calculations of intrinsic stacking fault energies and elastic properties in binary nickel alloys', Materialia, vol. 35, 102080. https://doi.org/10.1016/j.mtla.2024.102080
Zhang, N & Mottura, A 2024, 'First-principles thermodynamic investigation on the α phases in TiO and TiNb binary system', The Journal of Chemical Physics, vol. 160, no. 19, 194709. https://doi.org/10.1063/5.0203644
Scotti, L, Warnken, N & Mottura, A 2019, 'Non-classical interstitial sites and anomalous diffusion mechanisms in hcp-titanium', Acta Materialia, vol. 177, pp. 68-81. https://doi.org/10.1016/j.actamat.2019.07.023
Goswami, KN & Mottura, A 2018, 'A kinetic Monte Carlo study of vacancy diffusion in non-dilute Ni-Re alloys', Materials Science and Engineering A. https://doi.org/10.1016/j.msea.2018.11.064
Breidi, AAH, Allen, J & Mottura, A 2018, 'First-principles modeling of superlattice intrinsic stacking fault energies in Ni3Al based alloys', Acta Materialia, vol. 145, pp. 97-108. <http://www.sciencedirect.com/science/article/pii/S1359645417309850>
Allen, JDT, Mottura, A & Breidi, A 2018, 'First-principles modeling of the temperature dependence for the superlattice intrinsic stacking fault energies in L12 Ni75-xXxAl25 alloys', Metallurgical and Materials Transactions A, vol. 49, no. 9, pp. 4167–4172. https://doi.org/10.1007/s11661-018-4763-4
Breidi, AAH, Allen, J & Mottura, A 2017, 'First-principles calculations of thermodynamic properties and planar fault energies in Co3X and Ni3X L12 compounds', Physica Status Solidi B-Basic Solid State Physics, vol. 254, no. 9, 1600839. https://doi.org/10.1002/pssb.201600839
Scotti, L & Mottura, A 2016, 'Interstitial diffusion of O, N and C in alpha-Ti from first-principles: analytical model and kinetic Monte Carlo simulations', Journal of Chemical Physics, vol. 144, 084701. https://doi.org/10.1063/1.4942030
Scotti, L & Mottura, A 2015, 'Diffusion anisotropy of poor metal solute atoms in hcp-Ti', Journal of Chemical Physics, vol. 142, no. 20, 204308. https://doi.org/10.1063/1.4921780
Titus, MS, Mottura, A, Viswanathan, GB, Suzuki, A, Mills, MJ & Pollock, TM 2015, 'High resolution energy dispersive spectroscopy mapping of planar defects in L12-containing Co-base superalloys', Acta Materialia, vol. 89, pp. 423–437. https://doi.org/10.1016/j.actamat.2015.01.050
Chapter
Reed, RC, Mottura, A & Crudden, DJ 2016, Alloys-by-design: Towards optimization of compositions of nickel-based superalloys. in MC Hardy, ES Huron, U Glatzel, B Griffin, B Lewis, C Rae, V Seetharaman & S Tin (eds), Superalloys 2016: Proceedings of the 13th International Symposium on Superalloys. Minerals, Metals and Materials Society, pp. 15-23, 13th International Symposium on Superalloys, Seven Springs, Pennsylvania, United States, 11/09/16. https://doi.org/10.1002/9781119075646.ch2
Preprint
D'Elia, E, Mottura, A, Britton, TB, Zhang, H & Hamlett, CA 2021 'Developing a materials world: an analysis of UK HE data' OSF Preprints. https://doi.org/10.31219/osf.io/r4czp
Review article
Rabbitt, D, Villapún, VM, Carter, LN, Man, K, Lowther, M, O'Kelly, P, Knowles, AJ, Mottura, A, Tang, YT, Luerti, L, Reed, RC & Cox, SC 2025, 'Rethinking Biomedical Titanium Alloy Design: A Review of Challenges from Biological and Manufacturing Perspectives', Advanced Healthcare Materials, vol. 14, no. 4, 2403129. https://doi.org/10.1002/adhm.202403129
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