[HTML][HTML] To be or not to be a hydrophobic matrix? the role of coating hydrophobicity on anti-icing behavior and ions mobility of ionic liquids
The demand for anti-icing coatings to endure extremely low temperatures is substantial.
Despite the innovative pioneering research on the anti-icing potential of ionic liquids (ILs) …
Despite the innovative pioneering research on the anti-icing potential of ionic liquids (ILs) …
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 …
Do machine-learning atomic descriptors and order parameters tell the same story? The case of liquid water
Machine-learning (ML) has become a key workhorse in molecular simulations. Building an
ML model in this context involves encoding the information on chemical environments using …
ML model in this context involves encoding the information on chemical environments using …
Retarding ice recrystallization by tamarind seed polysaccharide: Investigation in ice cream mixes and insights from molecular dynamics simulation
X Sun, R Guo, T Zhan, Y Kou, X Ma, H Song, W Zhou… - Food …, 2024 - Elsevier
Food hydrocolloids, such as naturally sourced polysaccharide stabilizers, are becoming
potential candidates for retarding ice recrystallization in frozen desserts. Tamarind seed …
potential candidates for retarding ice recrystallization in frozen desserts. Tamarind seed …
Does supercooled water retain its universal nucleation behavior under shear at high pressure?
Understanding the nucleation of homogeneous flow systems at high pressures is vital in
protein crystallization and cryopreservation, where high pressure prevents the freezing of …
protein crystallization and cryopreservation, where high pressure prevents the freezing of …
Characterizing surface ice-philicity using molecular simulations and enhanced sampling
The formation of ice, which plays an important role in diverse contexts ranging from
cryopreservation to atmospheric science, is often mediated by solid surfaces. Although …
cryopreservation to atmospheric science, is often mediated by solid surfaces. Although …
[HTML][HTML] Low-temperature friction experiments on ice–salt mixtures: Implications for the strength of ice plate boundaries on Europa
Y Okazaki, S Azuma, D Fukuhara, I Katayama… - Icarus, 2024 - Elsevier
While recent observational studies have suggested that the ice shell on Europa is
undergoing active plate subduction, some theoretical studies have concluded that the high …
undergoing active plate subduction, some theoretical studies have concluded that the high …
[HTML][HTML] In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice
Quasi-liquid layers (QLLs) are present on the surface of ice and play a significant role in its
distinctive chemical and physical properties. These layers exhibit considerable …
distinctive chemical and physical properties. These layers exhibit considerable …
Precisely Controlled Polymerization of Two‐Dimensional Conducting Polymers in Quasi‐Liquid Layer Enables Ultrahigh Sensing Performance
Y Zhu, M Wei, X Ma, H Ma, R Chen… - Macromolecular …, 2024 - Wiley Online Library
Gas sensors based on conducting polymers offer great potential for high‐performance room
temperature applications due to their cost‐effectiveness, high‐sensitivity, and operational …
temperature applications due to their cost‐effectiveness, high‐sensitivity, and operational …
Binary salt structure classification with convolutional neural networks: Application to crystal nucleation and melting point calculations
HO Scheiber, GN Patey - The Journal of Chemical Physics, 2022 - pubs.aip.org
Convolutional neural networks are constructed and validated for the crystal structure
classification of simple binary salts such as the alkali halides. The inputs of the neural …
classification of simple binary salts such as the alkali halides. The inputs of the neural …