Understanding glass through differential scanning calorimetry
Differential scanning calorimetry (DSC) is a powerful tool to address some of the most
challenging issues in glass science and technology, such as the nonequilibrium nature of …
challenging issues in glass science and technology, such as the nonequilibrium nature of …
Revealing key structural features hidden in liquids and glasses
A great success of solid state physics comes from the characterization of crystal structures in
the reciprocal (wave vector) space. The power of structural characterization in Fourier space …
the reciprocal (wave vector) space. The power of structural characterization in Fourier space …
Realistic phase diagram of water from “first principles” data-driven quantum simulations
Since the experimental characterization of the low-pressure region of water's phase diagram
in the early 1900s, scientists have been on a quest to understand the thermodynamic …
in the early 1900s, scientists have been on a quest to understand the thermodynamic …
Probing the critical nucleus size for ice formation with graphene oxide nanosheets
G Bai, D Gao, Z Liu, X Zhou, J Wang - Nature, 2019 - nature.com
Water freezing is ubiquitous and affects areas as diverse as climate, the chemical industry,
cryobiology and materials science. Ice nucleation is the controlling step in water freezing …
cryobiology and materials science. Ice nucleation is the controlling step in water freezing …
Signatures of a liquid–liquid transition in an ab initio deep neural network model for water
The possible existence of a metastable liquid–liquid transition (LLT) and a corresponding
liquid–liquid critical point (LLCP) in supercooled liquid water remains a topic of much …
liquid–liquid critical point (LLCP) in supercooled liquid water remains a topic of much …
Liquid-liquid phase separation in supercooled water from ultrafast heating of low-density amorphous ice
K Amann-Winkel, KH Kim, N Giovambattista… - Nature …, 2023 - nature.com
Recent experiments continue to find evidence for a liquid-liquid phase transition (LLPT) in
supercooled water, which would unify our understanding of the anomalous properties of …
supercooled water, which would unify our understanding of the anomalous properties of …
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism
Density functional theory (DFT) has been extensively used to model the properties of water.
Albeit maintaining a good balance between accuracy and efficiency, no density functional …
Albeit maintaining a good balance between accuracy and efficiency, no density functional …
[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 …
as liquid polymorphism, and the transition between them is called liquid–liquid transition …
[HTML][HTML] A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many …
Deep neural network (DNN) potentials have recently gained popularity in computer
simulations of a wide range of molecular systems, from liquids to materials. In this study, we …
simulations of a wide range of molecular systems, from liquids to materials. In this study, we …
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies
We present a detailed overview of classical molecular simulation studies examining the self-
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …