Andrew Ian Duff
Andrew Ian Duff
Daresbury Laboratory
Verified email at stfc.ac.uk
Title
Cited by
Cited by
Year
Diffusion of carbon in bcc Fe in the presence of Si
D Simonovic, CK Ande, AI Duff, F Syahputra, MHF Sluiter
Physical Review B 81 (5), 054116, 2010
562010
Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC
AI Duff, T Davey, D Korbmacher, A Glensk, B Grabowski, J Neugebauer, ...
Physical Review B 91 (21), 214311, 2015
532015
Density functional theory insights into ternary layered boride MoAlB
Y Bai, X Qi, A Duff, N Li, F Kong, X He, R Wang, WE Lee
Acta Materialia 132, 69-81, 2017
382017
Understanding and controlling indium incorporation and surface segregation on InGaN surfaces: An ab initio approach
AI Duff, L Lymperakis, J Neugebauer
Physical Review B 89 (8), 085307, 2014
382014
Rapid synthesis, electrical, and mechanical properties of polycrystalline Fe2AlB2 bulk from elemental powders
N Li, Y Bai, S Wang, Y Zheng, F Kong, X Qi, R Wang, X He, AI Duff
Journal of the American Ceramic Society 100 (10), 4407-4411, 2017
242017
MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code
AI Duff, MW Finnis, P Maugis, BJ Thijsse, MHF Sluiter
Computer Physics Communications 196, 439-445, 2015
222015
DFT predictions of crystal structure, electronic structure, compressibility, and elastic properties of Hf–Al–C carbides
Y Bai, A Duff, DD Jayaseelan, R Wang, X He, WE Lee
Journal of the American Ceramic Society 99 (10), 3449-3457, 2016
132016
Ab initio‐based bulk and surface thermodynamics of InGaN alloys: Investigating the effects of strain and surface polarity
AI Duff, L Lymperakis, J Neugebauer
physica status solidi (b) 252 (5), 855-865, 2015
122015
Separating strain from composition in unit cell parameter maps obtained from aberration corrected high resolution transmission electron microscopy imaging
T Schulz, A Duff, T Remmele, M Korytov, T Markurt, M Albrecht, ...
Journal of Applied Physics 115 (3), 033113, 2014
112014
Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr2AlB2, Cr3AlB4, and Cr4AlB6
Y Bai, X Qi, X He, D Sun, F Kong, Y Zheng, R Wang, AI Duff
Journal of the American Ceramic Society 102 (6), 3715-3727, 2019
82019
Ab initio vibrational free energies including anharmonicity for multicomponent alloys
B Grabowski, Y Ikeda, P Srinivasan, F Körmann, C Freysoldt, AI Duff, ...
npj Computational Materials 5, 80, 2019
72019
Variational QMC study of a hydrogen atom in jellium with comparison to LSDA and self-interaction corrected LSDA solutions
AI Duff, JF Annett
Physical Review B 76 (11), 115113, 2007
72007
A theoretical analysis of cold sintering
M Biesuz, G Taveri, AI Duff, E Olevsky, D Zhu, C Hu, S Grasso
Advances in Applied Ceramics 119 (2), 75-89, 2020
62020
A review of cold sintering processes
S Grasso, M Biesuz, L Zoli, G Taveri, AI Duff, D Ke, A Jiang, MJ Reece
Advances in Applied Ceramics, 1-29, 2020
62020
Challenge to Reconcile Experimental Micellar Properties of the CnEm Nonionic Surfactant Family
WC Swope, MA Johnston, AI Duff, JL McDonagh, RL Anderson, G Alva, ...
The Journal of Physical Chemistry B 123 (7), 1696-1707, 2019
62019
Thermal shock behavior of Ti2AlC from 200°C to 1400°C
Y Bai, F Kong, X He, N Li, X Qi, Y Zheng, C Zhu, R Wang, AI Duff
Journal of the American Ceramic Society 100 (9), 4190-4198, 2017
62017
Diagnostic structures for interatomic potentials
AI Duff, MHF Sluiter
Materials transactions, 1003081021-1003081021, 2010
52010
MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code
AI Duff
Computer Physics Communications 203, 354-355, 2016
32016
First Principles Investigation into the Atom in Jellium Model System
AI Duff
University of Bristol, 2007
32007
Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the to transformation in titanium
D Korbmacher, A Glensk, AI Duff, MW Finnis, B Grabowski, J Neugebauer
Physical Review B 100 (10), 104110, 2019
22019
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Articles 1–20