The precipitation behavior and distribution of Ni 4 Ti 3 particles in NiTi alloys have a significant influence on the subsequent martensitic transformation, which may consequently affect shape memory effect and superelasticity of NiTi alloys. The latest experimental studies confirmed that in single crystal NiTi alloy, the Ni 4 Ti 3 particles nucleate and grow as an autocatalytic way leading to a step-like configuration. The autocatalytic nucleation known as collective manner has been widely studied in martensitic transformation while causing relatively less attention in diffusion transformation such as precipitation. Previous studies have been launched to investigate the nucleation and orientation issues of Ni 4 Ti 3 precipitate mainly by analyzing the stress or concentration field around the Ni 4 Ti 3 particle. However, the coupling between stress and concentration field is necessary in
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