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cond-mat.mtrl-sci2026
Search for high-pressure phases of yttrium via a data assimilation approach
Yuuki Kubo, Takahiro Ishikawa, Yuta Tanaka +3
We investigate the distorted face-centered-cubic (dfcc) phase of yttrium (Y) using a data-assimilation-based structure search that combines high-resolution powder x-ray diffraction…
cond-mat.mtrl-sci2024
Data-Assimilated Crystal Growth Simulation for Multiple Crystalline Phases
Yuuki Kubo, Ryuhei Sato, Yuansheng Zhao +2
To determine crystal structures from an X-ray diffraction (XRD) pattern containing multiple unknown phases, a data-assimilated crystal growth (DACG) simulation method has been deve…