Phase transitions in nickel-titanium shape-memory alloys are investigated by means of
atomistic simulations. A second nearest-neighbor modified embedded-atom method …

Molecular dynamics simulations are performed to investigate temperature-and stress-
induced phase transformations in nanocrystalline nickel-titanium shape-memory alloys. Our …

Nanostructured high-entropy alloys (HEAs) with excellent properties have recently attracted
extensive attention from both academia and industry in recent years. However, as a …

Elemental inhomogeneities formed during the actual preparation or heat treatment of high
entropy alloys (HEAs) have a profound effect on the mechanical properties of HEAs. In this …

High entropy alloys (HEAs) are promising nuclear structural materials due to their excellent
irradiation resistance. However, the essential mechanisms of irradiation tolerance in HEAs …

Molecular dynamics (MD) simulations Ni-Ti based on a second nearest neighbor modified
embedded-atom method potential were performed to study atomic-scale mechanical …

We characterize the role of coherent nanoscale B2 Ni 50 Al 50 precipitates on the
temperature-and stress-induced martensitic phase transformation in nanocrystalline Ni 63 Al …

We present molecular dynamics simulations of the thermomechanical response under shock
loading of a granular material consisting of laminated Ni/Al grains. We observe two regimes …

We present an atomistic level description of the reaction mechanisms in thermally ignited
samples of reactive core/shell Ni/Al wires. The combination of very long simulation times (up …

We use molecular dynamics simulations to characterize the chemical processes resulting
from the shock compaction of a loosely packed granular reactive composite of Ni and Al. For …