Potential use of smart coatings for icephobic applications: A review
The formation, adhesion, and accumulation of ice on surfaces can cause both economic and
safety issues related to, for example, reduced efficiency in energy generation, increased …
safety issues related to, for example, reduced efficiency in energy generation, increased …
Molecular simulations of interfacial systems: challenges, applications and future perspectives
We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …
of interfacial systems. We give a detailed overview of the main techniques and major …
The role of the water contact layer on hydration and transport at solid/liquid interfaces
Understanding the structure in the nanoscopic region of water that is in direct contact with
solid surfaces, so-called contact layer, is key to quantifying macroscopic properties that are …
solid surfaces, so-called contact layer, is key to quantifying macroscopic properties that are …
Accurate prediction of ice nucleation from room temperature water
Crystal nucleation is one of the most fundamental processes in the physical sciences and
almost always occurs heterogeneously with the aid of a nucleating substrate. No example of …
almost always occurs heterogeneously with the aid of a nucleating substrate. No example of …
Fcc vs. hcp competition in colloidal hard-sphere nucleation: on their relative stability, interfacial free energy and nucleation rate
Hard-sphere crystallization has been widely investigated over the last six decades by means
of colloidal suspensions and numerical methods. However, some aspects of its nucleation …
of colloidal suspensions and numerical methods. However, some aspects of its nucleation …
Graph-neural-network-based unsupervised learning of the temporal similarity of structural features observed in molecular dynamics simulations
Classification of molecular structures is a crucial step in molecular dynamics (MD)
simulations to detect various structures and phases within systems. Molecular structures …
simulations to detect various structures and phases within systems. Molecular structures …
Hydrogen adsorption on defective nitrogen-doped carbon nanotubes explained via machine learning augmented DFT calculations and game-theoretic feature …
Complex machine learning (ML) models applied within computational chemistry and
materials science tend to be seen as black boxes, yielding property predictions given some …
materials science tend to be seen as black boxes, yielding property predictions given some …
Two-dimensional bilayer ice in coexistence with three-dimensional ice without confinement
J Jiang, Y Lai, D Sheng, G Tang, M Zhang… - Nature …, 2024 - nature.com
Icing plays an important role in various physical-chemical process. Although the formation of
two-dimensional ice requires nanoscale confinement, two-dimensional bilayer ice in …
two-dimensional ice requires nanoscale confinement, two-dimensional bilayer ice in …
Is ice nucleation by organic crystals nonclassical? An assessment of the monolayer hypothesis of ice nucleation
Potent ice nucleating organic crystals display an increase in nucleation efficiency with
pressure and memory effect after pressurization that set them apart from inorganic …
pressure and memory effect after pressurization that set them apart from inorganic …
Antifreeze proteins and their biomimetics for cell cryopreservation: Mechanism, function and application-A review
Cell-based therapy is a promising technology for intractable diseases and health care
applications, in which cryopreservation has become an essential procedure to realize the …
applications, in which cryopreservation has become an essential procedure to realize the …