[HTML][HTML] Ab initio phase diagram and nucleation of gallium

H Niu, L Bonati, PM Piaggi, M Parrinello - Nature communications, 2020 - nature.com
Elemental gallium possesses several intriguing properties, such as a low melting point, a
density anomaly and an electronic structure in which covalent and metallic features coexist …

Coexistence of monatomic and diatomic molecular fluid character in liquid gallium

XG Gong, GL Chiarotti, M Parrinello… - Europhysics …, 1993 - iopscience.iop.org
We have performed an ab initio molecular-dynamics simulation of liquid Ga at high
temperature (1000 K). Our results are in good agreement with scattering data and with …

[HTML][HTML] Phase transition science and engineering of gallium-based liquid metal

H Wang, S Chen, X Zhu, B Yuan, X Sun, J Zhang… - Matter, 2022 - cell.com
Phase transition between liquid and solid is a ubiquitous phenomenon in nature and has
been used widely in scientific and industrial communities. Most metals have high melting …

Temperature-dependent structure evolution in liquid gallium

LH Xiong, XD Wang, Q Yu, H Zhang, F Zhang, Y Sun… - Acta Materialia, 2017 - Elsevier
Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been
investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular …

Why do gallium clusters have a higher melting point than the bulk?

S Chacko, K Joshi, DG Kanhere, SA Blundell - Physical review letters, 2004 - APS
Density functional molecular dynamical simulations have been performed on Ga 17 and Ga
13 clusters to understand the recently observed higher-than-bulk melting temperatures in …

Ab initio calculations of structural and electronic properties of gallium solid-state phases

M Bernasconi, GL Chiarotti, E Tosatti - Physical Review B, 1995 - APS
Structural and electronic properties of various solid-state phases of gallium have been
studied by means of first-principles total-energy calculations. Our results confirm that while …

α-gallium: A metallic molecular crystal

XG Gong, GL Chiarotti, M Parrinello, E Tosatti - Physical Review B, 1991 - APS
We present a first-principles theoretical study of the atomic and electronic structures, and of
the zero-temperature phases of gallium. The picture of α-Ga that emerges is of a metallic …

[HTML][HTML] Gallium liquid metal: the devil's elixir

SY Tang, C Tabor, K Kalantar-Zadeh… - Annual Review of …, 2021 - annualreviews.org
Gallium is a metal that literally melts in your hand. It has low toxicity, near-zero vapor
pressure, and a viscosity similar to water. Despite possessing a surface tension larger than …

Critical review on the physical properties of gallium-based liquid metals and selected pathways for their alteration

S Handschuh-Wang, FJ Stadler… - The Journal of Physical …, 2021 - ACS Publications
Gallium-based liquid metals have gained plenty of attention in the scientific community due
to their extraordinary properties. The most intriguing properties of liquid metals are high …

[HTML][HTML] Surface chemistry of gallium-based liquid metals

Y Ding, M Zeng, L Fu - Matter, 2020 - cell.com
The surface of liquid metals plays a critical role in establishing thermodynamic equilibria
(both mass and energy) at the interface between liquid metal and air. The exploration on the …