- Author :
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- Release : 1992
- ISBN :
- Pages : 34 pages
Atomistic Studies of Grain Boundaries in Alloys and Compounds Progress Report July 1990 October 1992
Download or read book Atomistic Studies of Grain Boundaries in Alloys and Compounds Progress Report July 1990 October 1992 written by and published by . This book was released on 1992 with total page 34 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic structure and atomic level properties of grain boundaries in binary alloys have been studied theoretically. Both ordered and disordered alloys were investigated with the aim responsible for the physical and mechanical properties differing from pure metals. An integral part is atomic interactions. The first are the many-body potentials akin to the embedded atom method. The most important potentials for Cu-Bi which combined empirical data and ab initio electronic structure calculations to construct reliable potentials. LMTO based tight-binding method were developed fully for pure metals with future application alloys. Structural studies were carried out for disordered Cu-Bi and ordered Ni3Al and Cu3Au alloys. In the former case the investigation was linked with HREM, and result is solution of structure of [Sigma] = 3 (111)/(11{bar 1}) facets containing Bi formed during segregation from originally curved boundaries. In the latter case, effect of ordering strength and stoichiometry deviations the boundary structure was investigated. The most interesting finding is a very different behavior of Ni rich and Al rich Ni3Al which may explain why only Ni rich compounds can be ductilized by boron. In both cases the surplus element segregates to the boundaries.