Machine learning interatomic potential for molecular dynamics simulation of the ferroelectric perovskite
Hao-Cheng Thong, XiaoYang Wang, Jian Han, Linfeng Zhang, Bei Li, Ke Wang, and Ben Xu
Phys. Rev. B 107, 014101 (2023) - Published 5 January, 2023
Phase stability of Fe from first principles: Atomistic spin dynamics coupled with ab initio molecular dynamics simulations and thermodynamic integration
Davide Gambino, Johan Klarbring, and Björn Alling
Phys. Rev. B 107, 014102 (2023) - Published 6 January, 2023
High-pressure yttrium allotrope with -type structure as a prototype of the rare-earth hydride series
Alena Aslandukova, Andrey Aslandukov, Dominique Laniel, Saiana Khandarkhaeva, Gerd Steinle-Neumann, Timofey Fedotenko, Sergey V. Ovsyannikov, Yuqing Yin, Fariia Iasmin Akbar, Konstantin Glazyrin, Michael Hanfland, Leonid Dubrovinsky, and Natalia Dubrovinskaia
Phys. Rev. B 107, 014103 (2023) - Published 9 January, 2023
Shock-induced melting of [100] lithium fluoride: Sound speed and Hugoniot measurements to 230 GPa
J. A. Hawreliak, J. M. Winey, Y. Toyoda, M. Wallace, and Y. M. Gupta
Phys. Rev. B 107, 014104 (2023) - Published 13 January, 2023
Magnetic corner states in a two-dimensional gyromagnetic photonic crystal
Yan-Chen Zhou, Hua-Shan Lai, Jian-Lan Xie, Xiao-Chen Sun, Cheng He, and Yan-Feng Chen
Phys. Rev. B 107, 014105 (2023) - Published 13 January, 2023
First-principles thermal equation of state of fcc iridium
Kai Luo, Ruifeng Lu, and R. E. Cohen
Phys. Rev. B 107, 014106 (2023) - Published 19 January, 2023
First-principles study of thermoelasticity and structural phase diagram of CaO
Pooja Vyas, A. B. Patel, and N. K. Bhatt
Phys. Rev. B 107, 014107 (2023) - Published 23 January, 2023
Unveiling the structure-property relationship in metastable Heusler compounds by systematic disorder tuning
F. Garmroudi, M. Parzer, M. Knopf, A. Riss, H. Michor, A. V. Ruban, T. Mori, and E. Bauer
Phys. Rev. B 107, 014108 (2023) - Published 25 January, 2023
Ramp compression of tantalum to multiterapascal pressures: Constraints of the thermal equation of state to 2.3 TPa and 5000 K
M. G. Gorman, C. J. Wu, R. F. Smith, L. X. Benedict, C. J. Prisbrey, W. Schill, S. A. Bonev, Z. C. Long, P. Söderlind, D. Braun, D. C. Swift, R. Briggs, T. J. Volz, E. F. O'Bannon, P. M. Celliers, D. E. Fratanduono, J. H. Eggert, S. J. Ali, and J. M. McNaney
Phys. Rev. B 107, 014109 (2023) - Published 27 January, 2023
The authors use intense laser pulses to compress solid tantalum to pressures in excess of 20 million atmospheres. By combing their experimental measurements with existing high-pressure, high-temperature data on Ta, they can create an experimentally bounded high-temperature equation of state that is valid up to multiterapascal pressures and thousands of degrees kelvin. The equation of state may serve as a useful pressure standard at the extreme compressions and elevated temperatures now achievable in state-of-the-art static compression experiments. This work also provides a clear road map for building an accurate high-temperature equation of state catalogue of materials at extreme conditions.




