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 …

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures

C Prescher, VB Prakapenka… - Proceedings of the …, 2017 - National Acad Sciences
We investigated the structure of SiO2 glass up to 172 GPa using high-energy X-ray
diffraction. The combination of a multichannel collimator with diamond anvil cells enabled …

Thermodynamics of silicate liquids in the deep Earth

L Stixrude, N de Koker, N Sun, M Mookherjee… - Earth and Planetary …, 2009 - Elsevier
We discuss the geophysical implications of recent first principles molecular dynamics
simulations of MgSiO3 liquid, in particular the findings that the Grüneisen parameter …

Deep machine learning interatomic potential for liquid silica

IA Balyakin, SV Rempel, RE Ryltsev, AA Rempel - Physical Review E, 2020 - APS
The use of machine learning to develop neural network potentials (NNP) representing the
interatomic potential energy surface allows us to achieve an optimal balance between …

Structural change in molten basalt at deep mantle conditions

C Sanloup, JWE Drewitt, Z Konôpková… - Nature, 2013 - nature.com
Silicate liquids play a key part at all stages of deep Earth evolution, ranging from core and
crust formation billions of years ago to present-day volcanic activity. Quantitative models of …

Molecular simulations of oxide and silicate melts and glasses

S Jahn - Reviews in Mineralogy and Geochemistry, 2022 - pubs.geoscienceworld.org
The last twenty-five years have seen a tremendous increase in computing power. It is
therefore not surprising that computer simulations of melts and glasses have become an …

The equation of state package FEOS for high energy density matter

S Faik, A Tauschwitz, I Iosilevskiy - Computer Physics Communications, 2018 - Elsevier
Adequate equation of state (EOS) data is of high interest in the growing field of high energy
density physics and especially essential for hydrodynamic simulation codes. The semi …

Primitive noble gases sampled from ocean island basalts cannot be from the Earth's core

Y Li, L Vočadlo, C Ballentine, JP Brodholt - Nature Communications, 2022 - nature.com
Noble gas isotopes in plumes require a source of primitive volatiles largely isolated in the
Earth for 4.5 Gyrs. Among the proposed reservoirs, the core is gaining interest in the …

Percolation transitions in compressed SiO2 glasses

A Hasmy, S Ispas, B Hehlen - Nature, 2021 - nature.com
Amorphous–amorphous transformations under pressure are generally explained by
changes in the local structure from low-to higher-fold coordinated polyhedra,,–. However, as …

Structure and density of basaltic melts at mantle conditions from first-principles simulations

S Bajgain, DB Ghosh, BB Karki - Nature communications, 2015 - nature.com
The origin and stability of deep-mantle melts, and the magmatic processes at different times
of Earth's history are controlled by the physical properties of constituent silicate liquids. Here …