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cond-mat.mtrl-sci2026
Atomic-scale phase-field modeling with dopants: Stochastic self-consistent harmonic approximation with fractional site occupancy
Kairi Masuda, Yu Kumagai
Phase-field modeling has achieved great success in predicting pattern formation in materials, such as the formation of ferroelectric domains. However, because it is typically based…
cond-mat.mtrl-sci2026
Atomic-scale phase-field modeling for 2D ferroelectrics including non-Gaussian fluctuations
Kairi Masuda, Yu Kumagai
Atomic-scale phase-field modeling extends the phase-field framework down to the level of individual atoms by treating the probability density of atomic vibrations as a field variab…