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Monte Carlo Simulation of Alloy Design Techniques: Fracture and Welding Studied Using the BFS Method for AlloysLarge-scale simulations of dynamic processes at the atomic level have developed into one of the main areas of work in computational materials science. Until recently, severe computational restrictions, as well as the lack of accurate methods for calculating the energetics, resulted in slower growth in the area than that required by current alloy design programs. The Computational Materials Group at the NASA Lewis Research Center is devoted to the development of powerful, accurate, economical tools to aid in alloy design. These include the BFS (Bozzolo, Ferrante, and Smith) method for alloys (ref. 1) and the development of dedicated software for large-scale simulations based on Monte Carlo- Metropolis numerical techniques, as well as state-of-the-art visualization methods. Our previous effort linking theoretical and computational modeling resulted in the successful prediction of the microstructure of a five-element intermetallic alloy, in excellent agreement with experimental results (refs. 2 and 3). This effort also produced a complete description of the role of alloying additions in intermetallic binary, ternary, and higher order alloys (ref. 4).
Document ID
20050187011
Acquisition Source
Legacy CDMS
Document Type
Other
Authors
Bozzolo, Guillermo H.
(Ohio Aerospace Inst. OH, United States)
Good, Brian
Noebe, Ronald D.
(NASA Lewis Research Center Cleveland, OH, United States)
Honecy, Frank
Abel, Phillip
Date Acquired
September 7, 2013
Publication Date
April 1, 1999
Publication Information
Publication: Research and Technology 1998
Subject Category
Metals And Metallic Materials
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.
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