Plane coalescence at grain boundaries |
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| Affiliation: | 1. State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, P.O. Box542, Northwestern Polytechnical University, Xi''an, 710072, PR China;2. Shaanxi Key Laboratory of High-Performance Precision Forming Technology and Equipment, P.O. Box542, Northwestern Polytechnical University, Xi''an, 710072, PR China;1. Indian National Centre for Ocean Information Services (INCOIS), Ocean Valley, Pragathi Nagar (BO), Nizampet (SO), Hyderabad, 500090, India;2. Environmental and Fisheries Sciences Division, Northwest Fisheries Science Center, National Marine Fisheries Service, National Oceanic and Atmospheric Administration, 2725 Montlake Blvd. E., Seattle, WA, 98112, USA;3. School of Marine Sciences, University of Maine, Orono, ME, USA;4. Environmental Research Division, Southwest Fisheries Science Center, National Marine Fisheries Service, National Oceanic and Atmospheric Administration, 99 Pacific Street, Suite 255A, Monterey, California, CA, 93940, USA;5. Kerala University of Fisheries and Ocean Studies (KUFOS), Panangad P.O., Kochi, Kerala, 682506, India;1. State Key Laboratory of Systematic and Evolutionary Botany, Institute of Botany, Chinese Academy of Sciences, Beijing, 100093, China;2. University of Chinese Academy of Sciences, Beijing, 100049, China |
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| Abstract: | The atomic structures of four symmetric tilt or twin boundaries in face centred cubic crystals have been investigated using an empirical inter-atomic potential representing copper. In each case the boundary energy corresponding to the relaxed structure and the associated volume increase have been determined. As anticipated the (111) boundary exhibits little relaxation but the predicted structures for the (113), (120) and (112) boundaries all involve translations away from the conventional mirror image orientation relation. In addition one pair of planes at the (120) boundary coalesce completely and four pairs of planes at the (112) boundary coalesce partially. The resulting structure in the latter case is broad and asymmetric. The (111) boundary has by far the lowest energy followed by (113), (112) and (012). Some aspects of the results, particularly the phenomenon of coalescence, the relative energies, and the breadth of the (112) boundary are very different from earlier computer simulation results on these interfaces, obtained using an aluminium potential. The reasons for this and the implications of the results are discussed. |
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