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 | 102 | 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 | 88 | 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 | 67 | 2018 |
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 | 63 | 2022 |
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 | 56 | 2011 |
Cluster expansions for thermodynamics and kinetics of multicomponent alloys X Zhang, MHF Sluiter Journal of Phase Equilibria and Diffusion 37, 44-52, 2016 | 54 | 2016 |
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 | 46 | 2022 |
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 | 46 | 2010 |
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 | 37 | 2020 |
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 |
‘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 | 25 | 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 (1), 383-409, 2022 | 21 | 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 | 15 | 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 | 8 | 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 | 4 | 2023 |
Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten X Zhang, SV Divinski, B Grabowski Nature Communications 16, 394, 2025 | 3 | 2025 |
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 | 3 | 2024 |
Interstitials in compositionally complex alloys I Baker, B Grabowski, SV Divinski, X Zhang, Y Ikeda MRS Bulletin 48 (7), 769-776, 2023 | 3 | 2023 |
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 | 2 | 2024 |