The segregation of solute atoms at grain boundaries (GBs) can strongly impact the structural
and functional properties of polycrystals. Yet, due to the limited availability of simulation tools …

Understanding the fundamental mechanisms of embrittlement and de-embrittlement is
crucial for the development of strategies toward advanced steels with improved …

Grain boundary segregation is one of the crucial phenomena affecting the properties of the
materials and their technological applications. However, 50 years since starting its intensive …

The phenomenological interplay in the segregation of phosphorus (P) and transition metal
(TM) elements at grain boundaries (GBs) in steels has long been suspected to be the main …

The microstructure and the tensile properties of a 18Ni-300 maraging steel manufactured by
Laser Powder Bed Fusion (L-PBF) were investigated after a Direct Aging Treatment (DAT) …

The vibrational contributions to the energetics of grain boundary segregation are calculated
for binary Ni polycrystals with solutes of Pd, Pt, Ag, Au and Cu. The computational challenge …

High-strength press-hardened steels (PHS) are highly desired in the automotive industry to
meet the requirement of carbon neutrality. This review aims to provide a systematic study of …

The development of high-strength steels is essential for realizing a decarbonized society;
however, to achieve this, the problem of hydrogen embrittlement must be solved. The …

Hydrogen segregation behaviors at BCC-Fe Σ3 (111) grain boundary (GB) as well as the
effects of alloying solutes were studied by the first-principles method. The segregation …

Regulating the grain boundaries (GBs) via solute segregation provides a viable pathway to
design stable nanocrystalline metals. This study investigates the segregation tendencies of …