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Andrew Ian Duff
Andrew Ian Duff
Daresbury Laboratory
Verified email at stfc.ac.uk
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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 119 (3), 115-143, 2020
952020
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
872015
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
842017
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
732010
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
592019
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
512020
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
492014
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
442017
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
382019
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
292015
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
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
212016
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
202019
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
192017
Model for the Simulation of the CnEm Nonionic Surfactant Family Derived from Recent Experimental Results
MA Johnston, AI Duff, RL Anderson, WC Swope
The Journal of Physical Chemistry B 124 (43), 9701-9721, 2020
132020
The effectiveness of reference-free modified embedded atom method potentials demonstrated for NiTi and NbMoTaW
P Srinivasan, AI Duff, TA Mellan, MHF Sluiter, L Nicola, A Simone
Modelling and Simulation in Materials Science and Engineering 27 (6), 065013, 2019
132019
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
132014
Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC
TA Mellan, A Aziz, Y Xia, R Grau-Crespo, AI Duff
Physical Review B 99 (9), 094310, 2019
122019
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
112019
Fast anharmonic free energy method with an application to vacancies in ZrC
T Mellan, AI Duff, B Grabowski, MW Finnis
Physical Review B 100, 024303, 2019
112019
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