作者: Shengjun Zhang , Oleg Y. Kontsevoi , Arthur J. Freeman , Gregory B. Olson
DOI: 10.1103/PHYSREVB.82.224107
关键词:
摘要: Primary aluminum produced industrially by electrolysis inevitably contains some sodium which is an undesired impurity element in aluminum alloys as it promotes intergranular fracture. However, the physical origins of Na-induced intergranular embrittlement in aluminum are still unclear. This work provides a comprehensive investigation of the nature of the Na-induced grain-boundary embrittlement in aluminum by means of first-principles calculations with the highly precise full-potential linearized augmented plane-wave method …