5 papers
From Stacking Disorder to Cubic Order: Ice Crystallization from Deeply Supercooled Water
Yulin Lin, Weimin Guo, Suvo Banik +9
Crystallization far from equilibrium can generate morphologies that defy classical crystal habits, yet the microscopic mechanisms linking atomic-scale disorder to emergent macrosco…
Sub-1-Angstrom-Resolution Imaging Reveals Phase Contrast Transition in Ice Ih Caused by Basal Stacking Faults
Jingshan S. Du, Suvo Banik, Lehan Yao +3
Phase-contrast transmission electron microscopy (TEM) of hexagonal ice (Ih) along [0001] sometimes shows a honeycomb-like pattern, often interpreted as individual oxygen columns in…
Physically Interpretable Interatomic Potentials via Symbolic Regression and Reinforcement Learning
Bilvin Varughese, Troy D. Loeffler, Suvo Banik +9
The development of next-generation molecular simulation models requires moving beyond pre-defined functional forms toward machine learning (ML) techniques that directly capture mul…
Harnessing Machine Learning for Quantum-Accurate Predictions of Non-Equilibrium Behavior in 2D Materials
Yue Zhang, Robert J. Appleton, Kui Lin +5
Accurately predicting the non-equilibrium mechanical properties of two-dimensional (2D) materials is essential for understanding their deformation, thermo-mechanical properties, an…
Molecular-Resolution Imaging of Ice Crystallized from Liquid Water
Jingshan S. Du, Suvo Banik, Henry Chan +6
Despite the ubiquity of ice, a molecular-resolution image of ice crystallized from liquid water or the resulting defect structure has never been obtained. Here, we report the stabi…