From short to medium range order in glasses and melts by diffraction and Raman spectroscopy

JWE Drewitt, L Hennet… - Reviews in Mineralogy …, 2022 - pubs.geoscienceworld.org
The structure of glasses and the melts from which they are formed is intrinsically disordered,
making their structural characterization difficult. Whilst the structure of solid minerals can be …

[HTML][HTML] Liquid structure under extreme conditions: high-pressure x-ray diffraction studies

JWE Drewitt - Journal of Physics: Condensed Matter, 2021 - iopscience.iop.org
Under extreme conditions of high pressure and temperature, liquids can undergo substantial
structural transformations as their atoms rearrange to minimise energy within a more …

Oscillatory bifurcation patterns initiated by seeded surface solidification of liquid metals

J Tang, S Lambie, N Meftahi, AJ Christofferson… - Nature …, 2022 - nature.com
Liquid metals are unique solvents in which elegant solidification patterns emerge. Despite
the fundamental and technological importance of the solidification process, knowledge gaps …

Viscosity of liquid gallium: Neural network potential molecular dynamics and experimental study

IA Balyakin, AA Yuryev, VV Filippov… - Computational Materials …, 2022 - Elsevier
Gallium traditionally comprises a difficult object for theoretical description due to its complex
short-range order structure. In this paper, deep learning potential for liquid gallium was …

Modeling the Ga/As binary system across temperatures and compositions from first principles

G Imbalzano, M Ceriotti - Physical Review Materials, 2021 - APS
Materials composed of elements from the third and fifth columns of the periodic table display
a very rich behavior, with the phase diagram usually containing a metallic liquid phase and …

Liquid crystal structure of supercooled liquid gallium and eutectic gallium–indium

M Yunusa, A Adaka, A Aghakhani… - Advanced …, 2021 - Wiley Online Library
Understanding the origin of structural ordering in supercooled liquid gallium (Ga) has been
a great scientific quest in the past decades. Here, reflective polarized optical microscopy on …

Equation of state of hot, dense magnesium derived with first-principles computer simulations

F González-Cataldo, F Soubiran, B Militzer - Physics of Plasmas, 2020 - pubs.aip.org
Using two first-principles computer simulation techniques, path integral Monte Carlo and
density functional theory molecular dynamics, we derive the equation of state of magnesium …

[HTML][HTML] Modulating the thermal and structural stability of gallenene via variation of atomistic thickness

S Lambie, KG Steenbergen, N Gaston - Nanoscale Advances, 2021 - pubs.rsc.org
Using ab initio molecular dynamics, we show that a recently discovered form of 2D Ga—
gallenene—exhibits highly variable thickness dependent properties. Here, 2D Ga of four …

Ab Initio Characterization of the CO2–Water Interface Using Unsupervised Machine Learning for Dimensionality Reduction

T Morishita, M Shiga - The Journal of Physical Chemistry B, 2024 - ACS Publications
Precise characterization of the supercritical CO2–water interface under high pressure and
temperature conditions is crucial for the geological storage of carbon dioxide (CO2) in deep …

An X‐Ray Absorption Spectroscopy Investigation into the Fundamental Structure of Liquid Metal Alloys

JA Meilak, K Zuraiqi, V Mitchell, B Johannessen… - Small …, 2024 - Wiley Online Library
Gallium and gallium alloys have gained significant interest due to gallium's low melting
point. This property allows for gallium‐based catalysts to take advantage of the unique …