A fundamental precept of chemistry is that properties are manifestations of the elements
present and their arrangement in space. Controlling the arrangement of atoms in …

CASM is a software package that enables first-principles based studies of crystalline
materials. It has been designed to treat coupled chemical, mechanical, vibrational, and …

Intercalation materials are promising candidates for reversible energy storage and are, for
example, used as lithium-battery electrodes, hydrogen-storage compounds, and …

Sc as one of the most important microalloying elements in advanced Al alloys has gained
tremendous attentions in recent years. The newly identified Sc-rich clusters demonstrate …

Secondary phases precipitation in grain boundaries (GBs) are ubiquitous presence in
multicomponent polycrystalline materials, and play a crucial role in determining the …

A carbon–silver anode has recently been shown to suppress dendrite formation in all-solid-
state lithium-ion batteries. The role that silver plays in enabling the reversible deposition and …

The solid diffusive phase transformation involving the nucleation and growth of new phase
particles is universal and frequently employed but has not yet been fully understood at the …

Titanium and its alloys are promising materials for engine production, special pump
manufacturing, and bone implants. However, the abrasion resistance and fracture …

Al-Ni alloys have shown promise for high-temperature applications due to the strengthening
of Al 3 Ni fibers resistant to coarsening and spheroidization up to 400° C. While the interface …

High-entropy alloys (HEAs) present unique advantages in surface modification due to their
stable mixed-state structures and resistance to intermetallic compound formation. This study …