Physical dynamics of ice crystal growth

KG Libbrecht - Annual Review of Materials Research, 2017 - annualreviews.org
We examine ice crystallization from liquid water and from water vapor, focusing on the
underlying physical processes that determine growth rates and structure formation. Ice …

The ice-water interface and protein stability: a review

A Arsiccio, R Pisano - Journal of Pharmaceutical Sciences, 2020 - Elsevier
The ice-water interface is commonly encountered in our life, and comes into play in a wide
number of natural phenomena. Here, attention will be focused on its effects on protein …

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

A Haji-Akbari, PG Debenedetti - Proceedings of the …, 2015 - National Acad Sciences
Ice formation is ubiquitous in nature, with important consequences in a variety of
environments, including biological cells, soil, aircraft, transportation infrastructure, and …

Identification of clathrate hydrates, hexagonal ice, cubic ice, and liquid water in simulations: The CHILL+ algorithm

AH Nguyen, V Molinero - The Journal of Physical Chemistry B, 2015 - ACS Publications
Clathrate hydrates and ice I are the most abundant crystals of water. The study of their
nucleation, growth, and decomposition using molecular simulations requires an accurate …

Stacking disorder in ice I

TL Malkin, BJ Murray, CG Salzmann… - Physical Chemistry …, 2015 - pubs.rsc.org
Traditionally, ice I was considered to exist in two well-defined crystalline forms at ambient
pressure: stable hexagonal ice (ice Ih) and metastable cubic ice (ice Ic). However, it is …

Homogeneous ice nucleation evaluated for several water models

JR Espinosa, E Sanz, C Valeriani… - The Journal of chemical …, 2014 - pubs.aip.org
In this work, we evaluate by means of computer simulations the rate for ice homogeneous
nucleation for several water models such as TIP4P, TIP4P/2005, TIP4P/ICE, and mW …

Molecular dynamics simulation investigation on the anti-freezing mechanisms of CSH-GS/GO interfaces

T Liang, Y Lai, D Hou, W Pei, M Wang, F Yu… - … and Building Materials, 2023 - Elsevier
Although graphene sheet (GS) and graphene oxide (GO) are two popular additives for
improving the frost resistance of concrete, unclear anti-icing mechanisms of GS/GO cross …

Free energy contributions and structural characterization of stacking disordered ices

A Hudait, S Qiu, L Lupi, V Molinero - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Crystallization of ice from deeply supercooled water and amorphous ices–a process of
fundamental importance in the atmosphere, interstellar space, and cryobiology–results in …

Ice–water interfacial free energy for the TIP4P, TIP4P/2005, TIP4P/ice, and mW models as obtained from the mold integration technique

JR Espinosa, C Vega, E Sanz - The Journal of Physical Chemistry …, 2016 - ACS Publications
The freezing of water is greatly influenced by the ice–water interfacial free energy. Yet, no
consistent experimental measures of this thermodynamic parameter can be found. In this …

Freezing mechanism of NaCl solution ultra-confined on surface of calcium-silicate-hydrate: A molecular dynamics study

T Liang, Y Lai, D Hou, Q Yang, Y Yang, R Bai… - Cement and Concrete …, 2022 - Elsevier
Cement-based materials in cold regions usually suffer deicer-frost deterioration. To better
understand the frozen behavior of the calcium silicate hydrate (CSH), molecular dynamics is …