Grain boundaries (GBs) profoundly influence the properties and performance of materials,
emphasizing the importance of understanding the GB structure and phase behavior. As …

The high-throughput search paradigm adopted by the newly established caloric materials
consortium—CaloriCool®—with the goal to substantially accelerate discovery and design of …

Spintronics is the fast growing field that will play a key role in optimizing power consumption,
memory, and processing capabilities of nanoelectronic devices. Heusler alloys are potential …

Oxygen is always a constituent in “real” titanium alloys including titanium alloy powders
used for powder-based additive manufacturing (AM). In addition, oxygen uptake during …

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 …

We report results from a series of diamond-anvil-cell synchrotron x-ray diffraction and large-
volume-press experiments, and calculations, to investigate the phase diagram of …

Understanding the mechanical responses of structural materials to extreme pressures has
particular implication for not only their intrinsic solid properties, eg, phase transformation …

A new thermodynamic model based on the Einstein function with more physical significance
is used to describe the hcp, bcc, fcc, ω, liquid and amorphous phases for Ti and V from …

The minimum energy path (MEP) and transition state are two key parameters in the
investigation of the mechanisms of chemical reactions and structural phase transformations …

The pressure influence on the α→ ω transformation in Ti–Co alloys has been studied during
high pressure torsion (HPT). The α→ ω allotropic transformation takes place at high …