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arXiv · 2603.22266

Microscopic view of materials properties of liquids: An atomic scale perspective

Jaeyun Moon
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Abstract

Microscopic understanding of liquid properties is essential for advancing a wide range of applications from energy applications such as nuclear reactors and batteries to biomedical applications including drug delivery and microfluidics. However, intrinsic dynamic disorder and lack of structural periodicity in liquids have presented fundamental challenges in developing rigorous microscopic theories of their thermodynamic and dynamic behavior. Recent breakthroughs in computational power and experimental metrologies have driven significant progress in unraveling the complex atomic scale dynamics of liquids. In this Review, we provide a brief historical context of liquid state physics and explore recent advances through theoretical, computational, and experimental approaches. For theoretical and computational approaches, instantaneous normal mode and velocity autocorrelation function calculations are discussed. For experiments, we focus on X-ray and neutron scattering techniques that probe liquid dynamics at the atomic level. Finally, we highlight emerging opportunities and future directions in the study of liquid atomic dynamics.

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Jaeyun Moon. 2026-03-23. Microscopic view of materials properties of liquids: An atomic scale perspective. https://arxiv.org/abs/2603.22266

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