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Andrew Ian Duff
Andrew Ian Duff
Daresbury Laboratory
Verified email at stfc.ac.uk
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Cited by
Year
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
2222020
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
1372017
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
1142015
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
1102019
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
952020
Diffusion of carbon in bcc Fe in the presence of Si
D Simonovic, CK Ande, AI Duff, F Syahputra, MHF Sluiter
Physical Review B—Condensed Matter and Materials Physics 81 (5), 054116, 2010
942010
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
812017
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
762019
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
672014
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
472015
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
322019
Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic study aided by machine learning potentials
Y Zhou, P Srinivasan, F Körmann, B Grabowski, R Smith, P Goddard, ...
Physical Review B 105 (21), 214302, 2022
302022
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
302017
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
272019
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
262016
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
A review of cold sintering processes, Adv. Appl. Ceram. 119 (2020) 115–143
S Grasso, M Biesuz, L Zoli, G Taveri, AI Duff, D Ke, A Jiang, MJ Reece
Preprint not peer reviewed, 0
18
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
172020
A theoretical analysis of cold sintering, Adv. Appl. Ceram. 119 (2020) 75–89
M Biesuz, G Taveri, AI Duff, E Olevsky, D Zhu, C Hu, S Grasso
17
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
162019
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