Physical and chemical properties of solid materials are strongly. influenced by the chemical
composition of internal interfaces, One of the crucial parameters affecting interfacial …

The reasons why cracking and corrosion can occur preferentially along grain boundaries in
a wide variety of metallic materials are discussed, along with case histories of failures …

The segregation of transition metal elements to grain boundaries in steels plays a critical
role in determining their cohesion. Here, we investigate the segregation, co-segregation …

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 …

Physical realism of molecular dynamics (MD) simulations is greatly enhanced by
incorporating variable atomic charges which adapt to the local environment dynamically. In …

We study the problem of atomic scale fracture using the recently developed quasicontinuum
method in which there is a systematic thinning of the atomic-level degrees of freedom in …

The development of modeling tools which allow for the simultaneous treatment of scales
ranging from Ångstroms to microns has stood out as one of the main challenges in materials …

The science and technology of boron addition to heat‐treatable steels are explained. The
aim is to address the following: How to add boron to steel (ie, the manufacturing aspects of …

The effect of grain boundary microstructure on the fracture resistance of sulfur-doped
polycrystalline nickel was investigated using specimens with different grain boundary …

Segregation of substitutional, oversized solute atoms to both equilibrium and metastable
structures of twenty-one〈 110〉 symmetric tilt grain boundaries (GBs) in an fcc binary alloy is …