Estudo das transformações martensíticas em ligas niti via simulação de dinâmica molecular / Study of martensitic transformation in niti alloy by molecular dynamicssimulations

Yuri Rocha de Souza, Pedro Henrique P. de Souza, Luis César R. Aliaga

Abstract


As transformações de fases na liga NiTi foram estudadas usando simulações de dinâmica molecular (MD) sob o potencial modificado método do átomo imerso, MEAM. Ligas de composição equiatômica foram produzidas partindo da estrutura B2, aquecidas e resfriadas à taxa de 7 K/ps na faixa de temperaturas de 100 a 450 K. O comportamento térmico mostra uma bem definida histerese evidenciando as transformações martensíticas entre as fases B2 e B19´. Também se observa uma faixa bem definida de temperaturas, durante o resfriamento, em que a fase R está presente na estrutura da liga. Transformações martensíticas reversas foram obtidas, contudo, a formação da fase R não foi evidenciada durante o aquecimento.

 

 


Keywords


Dinâmica molecular, Transformações de fases, Ligas, Lammps.

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DOI: https://doi.org/10.34117/bjdv6n4-175

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