Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation

F Tang, T Ohto, S Sun, JR Rouxel, S Imoto… - Chemical …, 2020 - ACS Publications
From a glass of water to glaciers in Antarctica, water–air and ice–air interfaces are abundant
on Earth. Molecular-level structure and dynamics at these interfaces are key for …

Structure and dynamics of confined liquids: challenges and perspectives for the X-ray surface forces apparatus

H Weiss, HW Cheng, J Mars, H Li, C Merola… - Langmuir, 2019 - ACS Publications
The molecular-scale structure and dynamics of confined liquids has increasingly gained
relevance for applications in nanotechnology. Thus, a detailed knowledge of the structure of …

Fast crystal growth of ice VII owing to the decoupling of translational and rotational ordering

X Zhang, Y Yao, H Li, A Python, K Mochizuki - Communications Physics, 2023 - nature.com
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) …

Nanorheology of interfacial water during ice gliding

L Canale, J Comtet, A Niguès, C Cohen, C Clanet… - Physical Review X, 2019 - APS
The slipperiness of ice is an everyday-life phenomenon, which, surprisingly, remains
controversial despite a long scientific history. The very small friction measured on ice is …

Friction on ice: How temperature, pressure, and speed control the slipperiness of ice

RW Liefferink, FC Hsia, B Weber, D Bonn - Physical Review X, 2021 - APS
We present sphere-on-ice friction experiments as a function of temperature, contact
pressure, and speed. At temperatures well below the melting point, friction is strongly …

Surface science in the research and development of hydrate-based sustainable technologies

NN Nguyen, CV Nguyen, TAH Nguyen… - ACS Sustainable …, 2022 - ACS Publications
Compact gas inclusion in hydrates presents not only fascinating science but also wide-
ranging applications in sustainable energy and environmental technologies. The surface of …

[HTML][HTML] The kinetics of the ice–water interface from ab initio machine learning simulations

P Montero de Hijes, S Romano, A Gorfer… - The Journal of …, 2023 - pubs.aip.org
Molecular simulations employing empirical force fields have provided valuable knowledge
about the ice growth process in the past decade. The development of novel computational …

Unveiling heterogeneity of interfacial water through the water bending mode

T Seki, S Sun, K Zhong, CC Yu, K Machel… - The Journal of …, 2019 - ACS Publications
The water bending mode provides a powerful probe of the microscopic structure of bulk
aqueous systems because its frequency and spectral line shape are responsive to the …

Intermolecular forces at ice and water interfaces: Premelting, surface freezing, and regelation

J Luengo-Márquez, F Izquierdo-Ruiz… - The Journal of …, 2022 - pubs.aip.org
Using Lifshitz theory, we assess the role of van der Waals forces at interfaces of ice and
water. The results are combined with measured structural forces from computer simulations …

Self-diffusion and shear viscosity for the TIP4P/Ice water model

Ł Baran, W Rżysko, LG MacDowell - The Journal of Chemical Physics, 2023 - pubs.aip.org
With an ever-increasing interest in water properties, many intermolecular force fields have
been proposed to describe the behavior of water. Unfortunately, good models for liquid …