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[HTML][HTML] The physics behind water irregularity
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 …
has enabled exploration of the core physics behind irregularities of water and ice …
The first-principles phase diagram of monolayer nanoconfined water
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 …
in geology and biology. However, the properties of nanoscale water can be substantially …
Hydrogen-bond relaxation dynamics: resolving mysteries of water ice
We present recent progress in understanding the anomalous behavior of water ice under
mechanical compression, thermal excitation, and molecular undercoordination (with fewer …
mechanical compression, thermal excitation, and molecular undercoordination (with fewer …
Two dimensional ice from first principles: Structures and phase transitions
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 …
in the understanding of the structures and phase transitions of low-dimensional water ice …
Homogeneous ice nucleation from supercooled water
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 …
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
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 …
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
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 …
most potent ice-binding molecules in nature. These highly effective proteins bind ice through …
Computational self-assembly of a one-component icosahedral quasicrystal
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 …
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
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 …
majority of these 2D structures have been predicted based on classical molecular dynamics …
Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates
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 …
and clathrate hydrates (or gas hydrates), not only enriches our view of phase transitions and …