A5018847562- Machine Learning in Materials Science
- High-pressure geophysics and materials
- Electronic and Structural Properties of Oxides
- Titanium Alloys Microstructure and Properties
- Minerals Flotation and Separation Techniques
- Calcium Carbonate Crystallization and Inhibition
- Paleontology and Stratigraphy of Fossils
- X-ray Diffraction in Crystallography
- Innovative Microfluidic and Catalytic Techniques Innovation
- Geological and Geochemical Analysis
- Theoretical and Computational Physics
Northwestern Polytechnical University
2023-2025
Abstract Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous important for many technological applications. In contrast to displacive transitions, the dynamics reconstructive usually slow due large energy barrier. Nevertheless, transformation from β - λ -Ti 3 O 5 exhibits an ultrafast reversible behavior. Despite extensive studies, underlying microscopic mechanism remains unclear. Here, we discover a kinetically favorable in-plane...
The melting temperature of MgSiO${}_{3}$ is crucial in controlling the interior structures and dynamics Earth super-Earths. Here, authors propose an iterative learning scheme that combines enhanced sampling, feature selection, deep learning, develop a unified machine potential $a\phantom{\rule{0}{0ex}}b$ $i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o$ quality. This valid over wide pressure-temperature range to...
Calcium carbonate (CaCO3), the most abundant biogenic mineral on earth, plays a crucial role in various fields such as hydrosphere, biosphere, and climate regulation. Of four polymorphs, calcite, aragonite, vaterite, amorphous CaCO3, vaterite is enigmatic one due to an ongoing debate regarding its structure that has persisted for nearly century. In this work, based systematic transmission electron microscopy characterizations, crystallographic analysis machine learning aided molecular...
<title>Abstract</title> The solidification of the deep and global magma ocean 4.5 billion years ago likely stands as most significant differentiation event in Earth’s history, setting initial conditions for its subsequent evolution1. However, our understanding this process remains limited, partly due to a lack knowledge regarding grain size abundant solid phase, bridgmanite<sup>2-5</sup>. In study, we employ combination cutting-edge techniques, including machine learning potentials, seeding,...
Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous important for many technological applications. In contrast to displacive transitions, the dynamics reconstructive usually slow due large energy barrier. Nevertheless, transformation from $\beta$- $\lambda$-Ti$_3$O$_5$ exhibits an ultrafast reversible behavior. Despite extensive studies, underlying microscopic mechanism remains unclear. Here, we discover a kinetically favorable...