Nucleation, the initial process in vapor condensation, crystal nucleation, melting, and
boiling, is the localized emergence of a distinct thermodynamic phase at the nanoscale that …

Despite the abundance of water's crystalline polymorphs, the growth mechanisms of most
ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) …

The current epoch can be described as the 'age of ice-rush', as the rate of discovery of ice
polymorphs, of which there are currently 20 known, has accelerated, particularly since the …

Understanding the behavior of materials at extreme pressures is a central issue in fields like
aerodynamics, astronomy, and geology, as well as for advancing technological grand …

Water molecules in any of the ice polymorphs organize themselves into a perfect four-
coordinated hydrogen-bond network at the expense of dense packing. Even at high …

We report several types of entropy-driven phase transition behaviors in hard bipyramid
systems using Monte Carlo simulations. Bipyramidal nanoparticle shapes are synthesizable …

All the different phases of water ice between 2 GPa and several megabars are based on a
single body-centered cubic sub-lattice of oxygen atoms. They differ only by the behavior of …

Growth of ice crystals is ubiquitous around us, but we still do not know what is occurring at
the forefront of crystallization. In general, the interfacial structure is inseparably involved in …

We report a molecular dynamics study of the heterogeneous crystallization of high-pressure
glassy water using (plastic) ice VII as a substrate. We focus on the thermodynamic …

We investigate high-pressure ice phases using molecular dynamics simulations.
Spontaneous nucleation of a new crystalline solid, named ice T2, is observed in a simulation …