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Experimental and ab initio derivation of interface stress in nanomultilayered...
Interface stress is a fundamental descriptor for interphase boundaries and is defined in strict relation to the interface energy. In nanomultilayered coatings with their... -
Learning a reactive potential for silica-water through uncertainty attribution
The reactivity of silicates in aqueous solution is relevant to various chemistries ranging from silicate minerals in geology, to the C-S-H phase in cement, nanoporous zeolite... -
Modeling high-entropy transition-metal alloys with alchemical compression: da...
Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar... -
Effects of the density and composition on the properties of amorphous alumina...
Amorphous alumina (a-AlOx), which plays important roles in several technological fields, shows wide variation of the density and composition. However, their influences on the...