The introduction of obstacles (eg, precipitates) for controlling dislocation motion in molecular
structures is a prevalent method for designing the mechanical strength of metals. Owing to …

We present our findings of a large-scale screening for new synthesizable materials in five M–
Sn binaries, M= Na, Ca, Cu, Pd, and Ag. The focus on these systems was motivated by the …

Combining the efficiency of semi-empirical potentials with the accuracy of quantum
mechanical methods, machine-learning interatomic potentials (MLIPs) have significantly …

While machine learning (ML) interatomic potentials (IPs) are able to achieve accuracies
nearing the level of noise inherent in the first-principles data to which they are trained, it …

The prototypical α→ ω phase transition in zirconium is an ideal test bed for our
understanding of polymorphism under extreme loading conditions. After half a century of …

The surface generation and subsurface deformation mechanisms of polycrystalline tin in
nanometric cutting are investigated using molecular dynamics. Subsurface deformations …

Soft and low-melting-point polycrystalline tin holds considerable promise in the field of
advanced lithography. However, its machinability is significantly hindered by the grain size …

Under extended radiation exposure and elevated temperatures, helium (He) accumulation
can compromise the integrity of Tantalum (Ta), a material showing substantial promise for …

The evolution of the ω phase in titanium–vanadium (Ti–V) alloys is critical for their
mechanical properties, particularly in aerospace and biomedical applications. This study …

Given that electronic components often undergo intricate thermal and mechanical loads
during operation, comprehensively understanding lead-free solder, particularly solder based …