Reliable first-principles alloy thermodynamics via truncated cluster expansions NA Zarkevich, DD Johnson
Physical review letters 92 (25), 255702, 2004
164 2004 Thermal stability of MnBi magnetic materials J Cui, JP Choi, G Li, E Polikarpov, J Darsell, N Overman, M Olszta, ...
Journal of Physics: Condensed Matter 26 (6), 064212, 2014
131 2014 First-principles prediction of phase-segregating alloy phase diagrams and a rapid design estimate of their transition temperatures NA Zarkevich, TL Tan, DD Johnson
Physical Review B—Condensed Matter and Materials Physics 75 (10), 104203, 2007
120 2007 Designed materials with the giant magnetocaloric effect near room temperature A Biswas, AK Pathak, NA Zarkevich, X Liu, Y Mudryk, V Balema, ...
Acta Materialia 180, 341-348, 2019
113 2019 Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes NA Zarkevich, DD Johnson
The Journal of Chemical Physics 142 (2), 2015
110 2015 Effect of composition and heat treatment on MnBi magnetic materials J Cui, JP Choi, E Polikarpov, ME Bowden, W Xie, G Li, Z Nie, N Zarkevich, ...
Acta Materialia 79, 374-381, 2014
110 2014 A 3D printable alloy designed for extreme environments TM Smith, CA Kantzos, NA Zarkevich, BJ Harder, M Heczko, PR Gradl, ...
Nature 617 (7961), 513-518, 2023
109 2023 Viable materials with a giant magnetocaloric effect NA Zarkevich, VI Zverev
Crystals 10 (9), 815, 2020
107 2020 Giant enhancement of the magnetocaloric response in Ni–Co–Mn–Ti by rapid solidification HN Bez, AK Pathak, A Biswas, N Zarkevich, V Balema, Y Mudryk, ...
Acta Materialia 173, 225-230, 2019
100 2019 High-throughput search for caloric materials: the CaloriCool approach NA Zarkevich, DD Johnson, VK Pecharsky
Journal of Physics D: Applied Physics 51 (2), 024002, 2017
71 2017 Crystallographic facet selective HER catalysis: exemplified in FeP and NiP 2 single crystals B Owens-Baird, JPS Sousa, Y Ziouani, DY Petrovykh, NA Zarkevich, ...
Chemical science 11 (19), 5007-5016, 2020
65 2020 Predicted hcp Ag-Al metastable phase diagram, equilibrium ground states, and precipitate structure NA Zarkevich, DD Johnson
Physical Review B 67 (6), 064104, 2003
59 2003 Predicting Enthalpies of Molecular Substances: Application to NA Zarkevich, DD Johnson
Physical review letters 100 (4), 040602, 2008
53 2008 Shape-memory transformations of NiTi: minimum-energy pathways between austenite, martensites, and kinetically limited intermediate states NA Zarkevich, DD Johnson
Physical review letters 113 (26), 265701, 2014
50 2014 Lattice Instability during Solid-Solid Structural Transformations under a General Applied Stress Tensor: Example of NA Zarkevich, H Chen, VI Levitas, DD Johnson
Physical review letters 121 (16), 165701, 2018
46 2018 Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet NA Zarkevich, LL Wang, DD Johnson
APL Materials 2 (3), 2014
44 2014 First-order magnetic phase transition in A Biswas, NA Zarkevich, AK Pathak, O Dolotko, IZ Hlova, AV Smirnov, ...
Physical Review B 101 (22), 224402, 2020
43 2020 Stable atomic structure of NiTi austenite NA Zarkevich, DD Johnson
Physical Review B 90 (6), 060102, 2014
43 2014 Coexistence pressure for a martensitic transformation from theory and experiment: Revisiting the bcc-hcp transition of iron under pressure NA Zarkevich, DD Johnson
Physical Review B 91 (17), 174104, 2015
42 2015 Development of MnBi permanent magnet: Neutron diffraction of MnBi powder J Cui, JP Choi, G Li, E Polikarpov, J Darsell, MJ Kramer, NA Zarkevich, ...
Journal of Applied Physics 115 (17), 2014
42 2014 
Teck Leong TanInstitute of High Performance Computing SingaporeOverená e-mailová adresa na: ihpc.a-star.edu.sg
