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

TL;DR

This paper reviews recent advances in understanding liquid properties at the atomic scale, emphasizing theoretical, computational, and experimental methods enabled by technological progress.

Contribution

It provides a comprehensive overview of recent progress in atomic-scale liquid dynamics, integrating theoretical, computational, and experimental perspectives.

Findings

Advances in computational power have enabled detailed atomic simulations.

X-ray and neutron scattering techniques reveal liquid dynamics at the atomic level.

Recent methods improve understanding of liquid thermodynamics and dynamics.

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.