The mechanical performance—including deformation, fracture and radiation damage—of
zirconium is determined at the atomic scale. With Zr and its alloys extensively used in the …

Zirconium alloys are pivotal structural materials in nuclear reactors. Enhancing their
properties and performance necessitates a profound understanding of the interactions …

Interatomic potentials are essential for studying fundamental mechanisms of deformation
and failure in metals and alloys because the relevant defects (dislocations, cracks, etc.) are …

High-strength metal alloys achieve their performance via careful control of precipitates and
solutes. The nucleation, growth, and kinetics of precipitation, and the resulting mechanical …

Most metallurgical properties, eg, dislocation propagation, precipitate formation, can only be
fully understood atomistically but most phenomena and quantities of interest cannot be …

Here we present new neural network potentials capable of accurately modeling the
transformations between the α, β, and ω phases of titanium (Ti) and zirconium (Zr), including …

Determining thermal and physical quantities across a broad temperature domain, especially
up to the ultra-high temperature region, is a formidable theoretical and experimental …

Zirconium alloys are critical material components of systems subjected to harsh
environments such as high temperatures, irradiation, and corrosion. When exposed to water …

In the paradigm of materials informatics for accelerated materials discovery, the choice of
feature set (ie attributes that capture aspects of structure, chemistry and/or bonding) is …

High-strength metal alloys achieve their performance via careful control of the nucleation,
growth, and kinetics of precipitation. Alloy mechanical properties are then controlled by …