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Materials discovery at high pressures
Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …
of materials, because it reduces interatomic distances and profoundly modifies electronic …
High-pressure studies with x-rays using diamond anvil cells
G Shen, HK Mao - Reports on progress in Physics, 2016 - iopscience.iop.org
Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-
pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; …
pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; …
Experimental evidence for superionic water ice using shock compression
In stark contrast to common ice, I h, water ice at planetary interior conditions has been
predicted to become superionic with fast-diffusing (that is, liquid-like) hydrogen ions moving …
predicted to become superionic with fast-diffusing (that is, liquid-like) hydrogen ions moving …
[KNJIGA][B] Ab initio molecular dynamics: basic theory and advanced methods
D Marx, J Hutter - 2009 - books.google.com
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of
complex molecular systems and processes, including chemical reactions, by unifying …
complex molecular systems and processes, including chemical reactions, by unifying …
Dynamic-to-static switch of hydrogen bonds induces a metal–insulator transition in an organic–inorganic superlattice
Hydrogen bonds profoundly influence the fundamental chemical, physical and biological
properties of molecules and materials. Owing to their relatively weaker interactions …
properties of molecules and materials. Owing to their relatively weaker interactions …
Mass-radius relationships for solid exoplanets
S Seager, M Kuchner, CA Hier-Majumder… - The Astrophysical …, 2007 - iopscience.iop.org
We use new interior models of cold planets to investigate the mass-radius relationships of
solid exoplanets, considering planets made primarily of iron, silicates, water, and carbon …
solid exoplanets, considering planets made primarily of iron, silicates, water, and carbon …
i-PI: A Python interface for ab initio path integral molecular dynamics simulations
Recent developments in path integral methodology have significantly reduced the
computational expense of including quantum mechanical effects in the nuclear motion in ab …
computational expense of including quantum mechanical effects in the nuclear motion in ab …
Structure and properties of two superionic ice phases
In the phase diagram of water, superionic ices with highly mobile protons within the stable
oxygen sublattice have been predicted at high pressures. However, the existence of …
oxygen sublattice have been predicted at high pressures. However, the existence of …
The Chemical Imagination at Work in Very Tight Places
Pressure and temperature influence all properties of a chemical system. And determine the
fate of a chemical reaction. Gases—and phase and chemical equilibria involving gaseous …
fate of a chemical reaction. Gases—and phase and chemical equilibria involving gaseous …
Multiple superionic states in helium–water compounds
Superionic states are phases of matter that can simultaneously exhibit some of the
properties of a liquid and of a solid. For example, in superionic ice, hydrogen atoms can …
properties of a liquid and of a solid. For example, in superionic ice, hydrogen atoms can …