Grain boundaries (GBs) are central defects for describing polycrystalline materials, and
playing major role in a wide-range of physical properties of polycrystals. Control over GB …

Electroreduction of CO2 represents a promising approach toward artificial carbon recycling
for addressing global challenges in energy and sustainability. The foreground of this …

Metals subjected to irradiation environments undergo microstructural evolution and
concomitant degradation, yet the nanoscale mechanisms for such evolution remain elusive …

Grain boundary (GB) structural change is commonly observed during and after stress-driven
GB migration in nanocrystalline materials, but its exact atomic scale transformation has not …

Oxide-derived copper (OD-Cu) has been discovered to be an effective catalyst for the
electroreduction of CO2 to C2+ products. The structure of OD-Cu and its surface species …

The phase behavior of grain boundaries can have a strong influence on interfacial
properties. Little is known about the emergence of grain boundary phases in elemental …

Grain boundaries, the two-dimensional defects between differently oriented crystals, tend to
preferentially attract solutes for segregation. Solute segregation has a significant effect on …

Metallic materials, especially steel, underpin transportation technologies. High-manganese
twinning induced plasticity (TWIP) austenitic steels exhibit exceptional strength and ductility …

We report a computational discovery of novel grain boundary structures and multiple grain
boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten …

Multi-principal element alloys (MPEAs) demonstrate significant promise as structural
materials for nuclear energy equipment owing to their exceptional mechanical properties …