通过Miedema参数的重新解释能量对合金化的影响
Energy effects on alloying through a re-interpretation of the parameters of Miedema
摘要：
Miedema的参数Phi和N精确到小数点后第二位，并且在调整其值后被认为是非常准确的，以正确地预测500多个金属二元系统的生成热的符号。在本文中，我们认为Phi与金属元素的电负性（Chi）成正比，N^（1/3）是线性键上的有效价。我们表明，与上述假设，气可以在绝对意义上推导出来，以下戈迪，作为静电势由于有效电荷的原子核的金属，感觉在中点的一个键到最近的原子。指数1/3的产生是由于金属的高配位性和共振性。一个很好的协议与假说观察亚电子元素，而缓冲区和hyperelectronic元素显示有趣的变化。本文认为，在Miedema参数del Phi和del N的幅值构造的图上，与二元体系分布相关的异原子对键能，是由电负性对N^（1/3）/R图中元素分布的分散性引起的。由于散射是重要的，我们看到Miedema等人对参数Phi和N的小修正在决定所涉及的能量方面是重要的。一个解释是提供的能量效应参与合金化的金属。
英文摘要：
The parameters Phi and N of Miedema are quoted precise to the second decimal place and are considered very accurate after adjustment in their values to correctly predict the signs of the heats of formation of more than 500 metallic binary systems. In this paper, we argue that Phi is proportional to the electronegativity (Chi) of metallic elements and that N^(1/3) is the valence effective on a linear bond. We show that, with the above hypothesis, Chi can be derived in the absolute sense, following Gordy, as the electrostatic potential due to the effective charge of the nucleus of an atom in a metal, felt at the mid-point of a bond to the nearest atom. The exponent 1/3 has its origin in the high ligancy and resonance in metals. An excellent agreement with the hypothesis is observed for the hypoelectronic elements, while the buffer and hyperelectronic elements show interesting variations. It is argued that the unlike atom pair bond energies, which are correlated to the distribution of binary systems on the map constructed using the magnitudes of parameters del Phi and del N of Miedema, originate from the scatter in the distribution of elements in the electronegativity versus N^(1/3)/R graph. Since it is the scatter that is important, we see that the small corrections effected by Miedema et al. to the parameters Phi and N are significant in deciding the energies involved. An interpretation is provided for the energy effects involved in the alloying of metals.
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