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 …
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 …
structural transformations as their atoms rearrange to minimise energy within a more …
Oscillatory bifurcation patterns initiated by seeded surface solidification of liquid metals
Liquid metals are unique solvents in which elegant solidification patterns emerge. Despite
the fundamental and technological importance of the solidification process, knowledge gaps …
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 …
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 …
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
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 …
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 …
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 …
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 …
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
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 …
point. This property allows for gallium‐based catalysts to take advantage of the unique …