Accurate electronic free energies of the , and transition metals at high temperatures X Zhang, B Grabowski, F Körmann, C Freysoldt, J Neugebauer
Physical Review B 95 (16), 165126, 2017
87 2017 Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni X Zhang, B Grabowski, F Körmann, AV Ruban, Y Gong, RC Reed, ...
Physical Review B 98 (22), 224106, 2018
78 2018 Calculating free energies of point defects from ab initio X Zhang, B Grabowski, T Hickel, J Neugebauer
Computational Materials Science 148, 249-259, 2018
60 2018 Thermodynamic assessment of Co–Al–W system and solidification of Co-enriched ternary alloys YF Cui, X Zhang, GL Xu, WJ Zhu, HS Liu, ZP Jin
Journal of Materials Science 46, 2611-2621, 2011
58 2011 Cluster expansions for thermodynamics and kinetics of multicomponent alloys X Zhang, MHF Sluiter
Journal of Phase Equilibria and Diffusion 37, 44-52, 2016
47 2016 Thermodynamic assessment of the U–Mo–Al system X Zhang, YF Cui, GL Xu, WJ Zhu, HS Liu, BY Yin, ZP Jin
Journal of nuclear materials 402 (1), 15-24, 2010
45 2010 Zr diffusion in BCC refractory high entropy alloys: A case of ‘non-sluggish’diffusion behavior J Zhang, C Gadelmeier, S Sen, R Wang, X Zhang, Y Zhong, U Glatzel, ...
Acta Materialia 233, 117970, 2022
41 2022 Ab initio prediction of vacancy energetics in HCP Al-Hf-Sc-Ti-Zr high entropy alloys and the subsystems X Zhang, SV Divinski, B Grabowski
Acta Materialia 227, 117677, 2022
34 2022 Ab initio prediction of vacancy properties in concentrated alloys: The case of fcc Cu-Ni X Zhang, MHF Sluiter
Physical Review B 91 (17), 174107, 2015
34 2015 Phenomenon of ultra-fast tracer diffusion of Co in HCP high entropy alloys SV Vaidya, Mayur and Sen, Sandipan and Zhang, Xi and Frommeyer, Lena and ...
Acta Materialia 196, 220-230, 2020
31 2020 ‘Anti-sluggish’Ti diffusion in HCP high-entropy alloys: Chemical complexity vs. lattice distortions S Sen, X Zhang, L Rogal, G Wilde, B Grabowski, SV Divinski
Scripta Materialia 224, 115117, 2023
14 2023 Recent advances in understanding diffusion in multiprincipal element systems A Dash, A Paul, S Sen, S Divinski, J Kundin, I Steinbach, B Grabowski, ...
Annual Review of Materials Research 52, 383-409, 2022
14 2022 Ab initio simulations of the surface free energy of TiN(001)A Forslund, X Zhang, B Grabowski, AV Shapeev, AV Ruban
Physical Review B 103 (19), 195428, 2021
12 2021 Kinetically driven ordering in phase separating alloys X Zhang, MHF Sluiter
Physical Review Materials 3 (9), 095601, 2019
10 2019 Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al X Xu, X Zhang, A Ruban, S Schmauder, B Grabowski
Acta Materialia 255, 118986, 2023
4 2023 Does Zn mimic diffusion of Al in the HCP Al-Sc-Hf-Ti-Zr high entropy alloys? S Sen, X Zhang, L Rogal, G Wilde, B Grabowski, SV Divinski
Scripta Materialia 229, 115376, 2023
3 2023 Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten X Zhang, SV Divinski, B Grabowski
arXiv preprint arXiv:2311.00633, 2023
1 2023 Interstitials in compositionally complex alloys I Baker, B Grabowski, SV Divinski, X Zhang, Y Ikeda
MRS Bulletin 48 (7), 769-776, 2023
1 2023 Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures X Xu, X Zhang, A Ruban, S Schmauder, B Grabowski
Scripta Materialia 242, 115934, 2024
2024 Sc diffusion in HCP high entropy alloys S Sen, X Zhang, L Rogal, J Schell, G Wilde, B Grabowski, SV Divinski
Scripta Materialia 242, 115917, 2024
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