Author

Jing-Shuang Dang

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Aug 2026

Facet-Dependent Zippering Mechanisms in Nanodiamond Coalescence Revealed by Machine-Learning Molecular Dynamics

The assembly of nanodiamonds (NDs) dictates their emergent structural and functional states, yet the atomistic mechanisms governing this process remain largely unresolved. In this work, the facet-dependent interactions and temperature-regulated aggregation of NDs are investigated through large-scale deep potential mo...

Rui He, Jing-Shuang Dang · Journal of Physical Chemistr... · 0 citations

Jul 2026

From Migration-Healing Reconstruction to Chemical Segregation: Atomistic Origins of High-Temperature Evolution in Cubic Boron Nitride Nanoparticles Revealed by Machine Learning Potential Simulations.

Cubic boron nitride (c-BN) nanoparticles are promising for extreme-condition applications, yet their atomistic evolution remains poorly understood. Here, we develop a high-fidelity machine learning potential and perform large-scale deep potential molecular dynamics simulations to investigate their high-temperature beha...

Rui He, Jing Sun, Jing-Shuang Dang · Inorganic Chemistry · 0 citations