From short to medium range order in glasses and melts by diffraction and Raman spectroscopy
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 …
Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures
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 …
diffraction. The combination of a multichannel collimator with diamond anvil cells enabled …
Thermodynamics of silicate liquids in the deep Earth
We discuss the geophysical implications of recent first principles molecular dynamics
simulations of MgSiO3 liquid, in particular the findings that the Grüneisen parameter …
simulations of MgSiO3 liquid, in particular the findings that the Grüneisen parameter …
Deep machine learning interatomic potential for liquid silica
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 …
interatomic potential energy surface allows us to achieve an optimal balance between …
Structural change in molten basalt at deep mantle conditions
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 …
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 …
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 …
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
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 …
Earth for 4.5 Gyrs. Among the proposed reservoirs, the core is gaining interest in the …
Percolation transitions in compressed SiO2 glasses
Amorphous–amorphous transformations under pressure are generally explained by
changes in the local structure from low-to higher-fold coordinated polyhedra,,–. However, as …
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
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 …
of Earth's history are controlled by the physical properties of constituent silicate liquids. Here …