Phenomenological calculation of the Fe-Pd-based L10-ordered phase in the Fe-Pd-Ni ternary system
Phenomenological calculation of the Fe-Pd-based L10-ordered phase in the Fe-Pd-Ni ternary system
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DOI：
10.1007/s11661-005-0320-z
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发表时间：
2005-08
期刊：
影响因子：
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通讯作者：
T. Horiuchi;M. Igarashi;F. Abe;K. Ohkubo;S. Miura;T. Mohri
中科院分区：
文献类型：
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作者：
T. Horiuchi;M. Igarashi;F. Abe;K. Ohkubo;S. Miura;T. Mohri
对Fe-Pd-Ni三元系，用团簇变分方法结合Lennard-Jones型(L-J型)成对原子相互作用能对相平衡进行唯象计算，以考察Ni替代Pd的可能性。863K时Fe-Pd基L10有序相中Ni含量的计算结果与Fe-5Pd-5Ni合金的电子能谱实验分析结果吻合较好。详细的计算表明，在L10有序相中，Ni优先取代Pd位，这可以用本研究中采用的Lennard-Jones型成对势来解释。从热力学角度分析认为，在Fe-Pd基L10有序相中，Ni是一种很有前途的Pd替代元素。
A phenomenological calculation of phase equilibria by combining the cluster variation method (CVM) with the Lennard-Jones-type (L-J-type) pairwise atomic interaction energies has been attempted for the Fe-Pd-Ni ternary system in order to examine the possibility of Ni as the substituting element for Pd. The calculated Ni content in an Fe-Pd-based L10ordered phase at 863 K shows fairly good agreement with the experimental analysis performed for Fe-5Pd-5Ni alloy by energy-dispersive X-ray spectroscopy of a transmission electron microscope. The detailed calculation indicates that Ni is preferentially substituted in a Pd site in the L10-ordered phase, which can be interpreted by the Lennard-Jones-type pairwise potentials employed for the present study. It is concluded from the thermodynamic point of view that Ni is a promising candidate as the substituting element for Pd in an Fe-Pd-based L10ordered phase.