填隙Ti_2Ni相形成条件的模式识别分析

PATTERN RECOGNITION APLLIED TO STABILITY OF FILLED Ti_2Ni PHASES

在多维键参数空间中对填隙Ti_2Ni相化合物的形成条件做模式识别分析,由于前过渡金属原子组成的八面体空穴中填入C,N.O原子使Ti_2Ni结构稳定化,此结构的分布区扩大,邻近的Al_2Cu,MoSi_2结构分布区减小。

Pattern recognition method is used for the investigation of stability region of filled Ti_2Ni phases in multi-dimensional bond-parameter space: The filling of C, N and O atoms into T_6 octahedra consisting of atoms of early-transition elements makes the expansion of the stability region of Ti_2Ni phase, and the relative stability of Al_2Cu and MoSi_2 type compounds decreases after the introduction of non-metallic elements such as C, N and O.