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How salt solvation slows water dynamics while blue-shifting its dielectric sp...
<p>Water inherently contains trace amounts of various salts, yet the microscopic processes by which salts influence some of its physical properties remain elusive.... -
Modeling of precipitate strengthening with near-chemical accuracy: case study...
Many metal alloys are strengthened by controlling precipitation to achieve an optimal peak-aged condition where the strength-limiting processes of precipitate shearing and... -
Resolving the solvation structure and transport properties of aqueous zinc el...
This database contains the neural network potential (NNP) model and training data for aqueous ZnCl₂ solutions from 1 m to 30 m. The NNP model can be used to compute total... -
Modeling the Ga/As binary system across temperatures and compositions from fi...
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... -
Modeling the Ga/As binary system across temperatures and compositions from fi...
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... -
CA-9, a dataset of carbon allotropes for training and testing of neural netwo...
The use of machine learning to accelerate computer simulations is on the rise. In atomistic simulations, the use of machine learning interatomic potentials (ML-IAPs) can... -
Mechanism of thermally-activated prismatic slip in Mg
Prismatic slip of the screw <a> dislocation in magnesium at temperatures ≳ 150 K is understood to be governed by double-cross-slip of the stable basal screw through the... -
3D ordering at the liquid–solid polar interface of nanowires
The nature of the liquid–solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal...
