Atomistic modeling of interfaces and their impact on microstructure and properties

The role of chemical bonding in grain boundary embrittlement

Catastrophic brittle fracture of crystalline materials is one of the best documented but most poorly understood fundamental phenomena in materials science. Embrittlement of copper by bismuth is a classic example of this phenomenon. Because brittle fracture in any structural material can involve human tragedy, a better understanding of the mechanisms behind it is of the highest interest. In this study, we use a combination of two state-of-the-art atomic characterization techniques and ab initio theoretical materials simulations to investigate the geometric and electronic structure of a copper grain boundary with and without bismuth. Only with this unique combination of methods are we able to observe the actual distribution of bismuth in the boundary and detect changes in the electronic structure caused by the bismuth impurity. We find that the copper atoms that surround the segregated bismuth in the grain boundary become embrittled by taking on a more zinc-like electronic structure.

Bismuth-induced embrittlement of copper grain boundaries

Bismuth Induced Embrittlement of Copper Grain Boundaries

Electronic and structural studies of grain boundary strength and fracture in L12 ordered alloys—I. On binary A3B alloys

A new model of grain boundary failure in temper embrittled steel

Temper embrittlement and surface segregation, an AES and ILS study

Grain boundary surface phases observed in temper embrittled high-alloy steels

Composition and temperature coefficient of resistance of Ni-Cr thin films

Hydrogen embrittlement: A new model for the mechanism of reduction of metallic cohesion

Wolfgang Losch

Papers

A new model of grain boundary failure in temper embrittled steel

Temper embrittlement and surface segregation, an AES and ILS study

Grain boundary surface phases observed in temper embrittled high-alloy steels

Composition and temperature coefficient of resistance of Ni-Cr thin films

Hydrogen embrittlement: A new model for the mechanism of reduction of metallic cohesion