2 papers
cond-mat.mtrl-sci2025
On-demand phase-field modeling: Three-dimensional Landau energy for HfO2 through machine learning
Yusuke Tamura, Kairi Masuda, Yu Kumagai
The unexpected emergence of ferroelectricity in HfO2 at reduced dimensions has attracted considerable attention, as it provides a pathway toward the realization of ultrasmall ferro…
cond-mat.mtrl-sci2025
Atomic-scale phase-field modeling with universal machine learning potentials
Kairi Masuda, Yu Kumagai
Atomic-scale phase-field modeling formulates the probability densities of atomic vibrations as Gaussian distributions and derives a free energy functional using variational Gaussia…