Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation
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 …
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
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 …
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
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) …
ice forms remain poorly understood. This study applies extensive molecular dynamics (MD) …
Nanorheology of interfacial water during ice gliding
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 …
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
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 …
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
Compact gas inclusion in hydrates presents not only fascinating science but also wide-
ranging applications in sustainable energy and environmental technologies. The surface of …
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 …
about the ice growth process in the past decade. The development of novel computational …
Unveiling heterogeneity of interfacial water through the water bending mode
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 …
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 …
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 …
been proposed to describe the behavior of water. Unfortunately, good models for liquid …