[HTML][HTML] The physics behind water irregularity

CQ Sun, Y Huang, X Zhang, Z Ma, B Wang - Physics Reports, 2023 - Elsevier
The notion of asymmetrical Hydrogen Bond (O: HO) Cooperativity and Polarizability (HBCP)
has enabled exploration of the core physics behind irregularities of water and ice …

The first-principles phase diagram of monolayer nanoconfined water

V Kapil, C Schran, A Zen, J Chen, CJ Pickard… - Nature, 2022 - nature.com
Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena
in geology and biology. However, the properties of nanoscale water can be substantially …

Hydrogen-bond relaxation dynamics: resolving mysteries of water ice

Y Huang, X Zhang, Z Ma, Y Zhou, W Zheng… - Coordination Chemistry …, 2015 - Elsevier
We present recent progress in understanding the anomalous behavior of water ice under
mechanical compression, thermal excitation, and molecular undercoordination (with fewer …

Two dimensional ice from first principles: Structures and phase transitions

J Chen, G Schusteritsch, CJ Pickard, CG Salzmann… - Physical review …, 2016 - APS
Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps
in the understanding of the structures and phase transitions of low-dimensional water ice …

Homogeneous ice nucleation from supercooled water

T Li, D Donadio, G Russo, G Galli - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
Homogeneous ice nucleation from supercooled water was studied in the temperature range
of 220–240 K through combining the forward flux sampling method (Allen et al., J. Chem …

How size and aggregation of ice-binding proteins control their ice nucleation efficiency

Y Qiu, A Hudait, V Molinero - Journal of the American Chemical …, 2019 - ACS Publications
Organisms that thrive at cold temperatures produce ice-binding proteins to manage the
nucleation and growth of ice. Bacterial ice-nucleating proteins (INP) are typically large and …

Hydrogen-bonding and hydrophobic groups contribute equally to the binding of hyperactive antifreeze and ice-nucleating proteins to ice

A Hudait, Y Qiu, N Odendahl… - Journal of the American …, 2019 - ACS Publications
Hyperactive insect antifreeze proteins and bacterial ice-nucleating proteins are arguably the
most potent ice-binding molecules in nature. These highly effective proteins bind ice through …

Computational self-assembly of a one-component icosahedral quasicrystal

M Engel, PF Damasceno, CL Phillips, SC Glotzer - Nature materials, 2015 - nature.com
Icosahedral quasicrystals (IQCs) are a form of matter that is ordered but not periodic in any
direction. All reported IQCs are intermetallic compounds and either of face-centred …

First-principles molecular dynamics simulations of the spontaneous freezing transition of 2D water in a nanoslit

J Jiang, Y Gao, W Zhu, Y Liu, C Zhu… - Journal of the …, 2021 - ACS Publications
As with bulk ices, two-dimensional (2D) ices exhibit diverse crystalline structures, and the
majority of these 2D structures have been predicted based on classical molecular dynamics …

Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates

WH Zhao, L Wang, J Bai, LF Yuan… - Accounts of chemical …, 2014 - ACS Publications
Conspectus Understanding phase behavior of highly confined water, ice, amorphous ice,
and clathrate hydrates (or gas hydrates), not only enriches our view of phase transitions and …