Atomic-level modeling of materials provides fundamental insights into phase stability,
structure and properties of crystalline defects, and to physical mechanisms of many …

Nanocrystalline Cu–Ta alloys belong to an emerging class of immiscible high-strength
materials with a significant potential for high-temperature applications. Using molecular …

Abstract Nanostructured Cu–Ta alloys have shown promise as high-strength nanocrystalline
materials in part due to their limited grain growth at high temperatures. In the present study …

Directly probing structure dynamics at metal/oxide interfaces has been a major challenge
due to their buried nature. Using environmental transmission electron microscopy, here we …

In this work, the corrosion behavior of Mg-SiO 2 nanocomposites, fabricated by powder
metallurgy coupled with hybrid microwave sintering and subsequent hot extrusion, was …

Cu/Me multilayer systems, with Me referring to a body-centered cubic (bcc) metal, such as
Nb and W, are widely used for nuclear, electrical, and electronic applications. Despite …

The effect of alloying element segregation on the interface properties of the fcc-Fe/Ni 3 Al
was investigated using the first-principles approach based on density functional theory …

Using molecular-dynamics simulation and the Meyer-Entel interaction potential, we
investigate the energetics and dynamics of the phase transformation in an Fe bicrystal …

Ab initio calculations are employed to determine the lower and upper bounds of the
interfacial energy and work of separation of a fcc-Ag/bcc-Fe interface. The strain-free …

First principles calculations were carried out for α-Al 2 O 3 (0001) surface and γ-TiAl (111)/α-
Al 2 O 3 (0001) interface to study the adhesion properties of the interface and to clarify the …