[HTML][HTML] Review of force fields and intermolecular potentials used in atomistic computational materials research

JA Harrison, JD Schall, S Maskey, PT Mikulski… - Applied Physics …, 2018 - pubs.aip.org
Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

A review of wetting versus adsorption, complexions, and related phenomena: the rosetta stone of wetting

WD Kaplan, D Chatain, P Wynblatt… - Journal of Materials …, 2013 - Springer
This paper reviews the fundamental concepts and the terminology of wetting. In particular, it
focuses on high temperature wetting phenomena of primary interest to materials scientists …

The atomistic details of the ice recrystallisation inhibition activity of PVA

F Bachtiger, TR Congdon, C Stubbs, MI Gibson… - Nature …, 2021 - nature.com
Understanding the ice recrystallisation inhibition (IRI) activity of antifreeze biomimetics is
crucial to the development of the next generation of cryoprotectants. In this work, we bring …

Ordered liquid aluminum at the interface with sapphire

SH Oh, Y Kauffmann, C Scheu, WD Kaplan, M Ruhle - Science, 2005 - science.org
Understanding the nature of solid-liquid interfaces is important for many processes of
technological interest, such as solidification, liquid-phase epitaxial growth, wetting, liquid …

The interfacial density profile of a Lennard‐Jones fluid in contact with a (100) Lennard‐Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo …

FF Abraham - The Journal of Chemical Physics, 1978 - pubs.aip.org
Using the Monte Carlo simulation method, we study the interfacial liquid density profile for
several systems; Lennard‐Jones (L‐J) fluid/L‐J (100) solid fcc face, L‐J fluid/L‐J (10–4) …

Stem-Cell Homeostasis and Growth Dynamics Can Be Uncoupled in the Arabidopsis Shoot Apex

GV Reddy, EM Meyerowitz - Science, 2005 - science.org
The shoot apical meristem (SAM) is a collection of stem cells that resides at the tip of each
shoot and provides the cells of the shoot. It is divided into functional regions. The central …

Structural order in liquids induced by interfaces with crystals

WD Kaplan, Y Kauffmann - Annu. Rev. Mater. Res., 2006 - annualreviews.org
▪ Abstract Interfaces between solids and liquids are important for a range of materials
processes, including soldering and brazing, liquid-phase sintering, crystal growth, and …

Liquid surfaces: theory of surface tension

G Navascues - Reports on Progress in Physics, 1979 - iopscience.iop.org
The theory of equilibrium liquid surfaces is reviewed from the macroscopic (thermodynamic)
and microscopic (statistical) points of view. Although emphasis is placed on the surface …

On the thermodynamics, structure and phase stability of the nonuniform fluid state

FF Abraham - Physics reports, 1979 - Elsevier
This study is based on a simple and straightforward generalization of the van der Waals
theory for the thermodynamics and structure of a nonuniform fluid postulated almost one …

Contact angle, liquid film, and liquid–liquid and liquid–solid interfaces in model oil–brine–substrate systems

F Jiménez-Ángeles, A Firoozabadi - The Journal of Physical …, 2016 - ACS Publications
Oil–water–substrate wettability is of prime importance in most branches of science and
technology, from biology and nanomaterials to geology and petroleum science. Wetting is a …