Supercooled liquids and the glass transition

PG Debenedetti, FH Stillinger - Nature, 2001 - nature.com
Glasses are disordered materials that lack the periodicity of crystals but behave
mechanically like solids. The most common way of making a glass is by cooling a viscous …

The role of local structure in dynamical arrest

CP Royall, SR Williams - Physics Reports, 2015 - Elsevier
Amorphous solids, or glasses, are distinguished from crystalline solids by their lack of long-
range structural order. At the level of two-body structural correlations, glassformers show no …

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning

W Jia, H Wang, M Chen, D Lu, L Lin… - … conference for high …, 2020 - ieeexplore.ieee.org
For 35 years, ab initio molecular dynamics (AIMD) has been the method of choice for
modeling complex atomistic phenomena from first principles. However, most AIMD …

Robust structural identification via polyhedral template matching

PM Larsen, S Schmidt, J Schiøtz - Modelling and Simulation in …, 2016 - iopscience.iop.org
Successful scientific applications of large-scale molecular dynamics often rely on automated
methods for identifying the local crystalline structure of condensed phases. Many existing …

Three-dimensional atomic packing in amorphous solids with liquid-like structure

Y Yuan, DS Kim, J Zhou, DJ Chang, F Zhu… - Nature materials, 2022 - nature.com
Liquids and solids are two fundamental states of matter. However, our understanding of their
three-dimensional atomic structure is mostly based on physical models. Here we use atomic …

[HTML][HTML] Liquid–liquid transition and polyamorphism

H Tanaka - The Journal of Chemical Physics, 2020 - pubs.aip.org
Two or more liquid states may exist even for single-component substances, which is known
as liquid polymorphism, and the transition between them is called liquid–liquid transition …

Systematic analysis of local atomic structure combined with 3D computer graphics

D Faken, H Jónsson - Computational Materials Science, 1994 - Elsevier
The implementation of a method for systematic analysis of local atomic structure in
combination with 3D computer graphics is described. The method, Common Neighbor …

Supercooled liquids and glasses

MD Ediger, CA Angell, SR Nagel - The journal of physical …, 1996 - ACS Publications
Selected aspects of recent progress in the study of supercooled liquids and glasses are
presented in this review. As an introduction for nonspecialists, several basic features of the …

Atomic packing and short-to-medium-range order in metallic glasses

HW Sheng, WK Luo, FM Alamgir, JM Bai, E Ma - Nature, 2006 - nature.com
Unlike the well-defined long-range order that characterizes crystalline metals, the atomic
arrangements in amorphous alloys remain mysterious at present. Despite intense research …

Softening of nanocrystalline metals at very small grain sizes

J Schiøtz, FD Di Tolla, KW Jacobsen - Nature, 1998 - nature.com
Nanocrystalline solids, in which the grain size is in the nanometre range, often have
technologically interesting properties such as increased hardness and ductility …