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Acta Metall Sin  1998, Vol. 34 Issue (9): 923-927    DOI:
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MOLECULAR DYNAMICS SIMULATION ON TRANSFORMATION PSEUDOELASTICITY IN NiAI ALLOY
LI Bin;ZHANG Xiumu; SHA Xianwei; LI Yiyi (Institute of Metal Research; The Chinese Academy of Sciences; Shenyang 110015)Correspondent: LI Bin; Tel: (024)23843531-55362; Fax: (024)23891320
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LI Bin;ZHANG Xiumu; SHA Xianwei; LI Yiyi (Institute of Metal Research; The Chinese Academy of Sciences; Shenyang 110015)Correspondent: LI Bin; Tel: (024)23843531-55362; Fax: (024)23891320. MOLECULAR DYNAMICS SIMULATION ON TRANSFORMATION PSEUDOELASTICITY IN NiAI ALLOY. Acta Metall Sin, 1998, 34(9): 923-927.

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Abstract  Molecular dynamics simulation was carried out to study transformation pseudoelasticity in NiAl alloy with a initial B2 structure, using EAM (embedded atom method) type interatomic potential for NiAl. The evolution of the RDFs and bonded atomic patterns indicate that martensitic transformation took place when external tensile force increased to a certain level.During the transformation, variants could integrate each other under the action of the external force, coherent twinning interfaces were formed between misoriented variants. A reverse process initiated at the coherent interfaces occurred when the external force was withdrawn. With the migration of martensite-austenite interfaces the stress induced martensites transformed back into austenite.
Key words:  transformation pseudoelasticity      molecular dynamics simulation      EAM potential      NiAl alloy     
Received:  18 September 1998     
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