塑性变形辉长岩的结构特征及其对磁特性和穆斯堡尔参数的影响
Structural peculiarities of plastically-deformed cementite and their influence on magnetic characteristics and Mossbauer parameters
摘要：
用第一性原理计算研究了渗碳体Fe 3 C的结构。考虑了铁亚晶格中碳原子的两种可能位置：棱柱形或八面体环境。穆斯堡尔谱（MS）与参数计算的两个修改以上和以下的居里温度进行模拟。讨论了从MS退火后检测碳位置变化的可能性。它表明，这是几乎不可能使用一个标准的方法来治疗MS，但它可以看到在更微妙的细节MS低于居里温度，如宽度和位置的单独的线。
英文摘要：
Cementite Fe3C is studied with first-principles calculations. Two possible positions of carbon atoms in the iron sublattice are considered: with prismatic or octahedral environment. Mossbauer spectra (MS) with parameters calculated for both modifications are simulated above and below the Curie temperature. A possibility to detect the change in carbon position upon annealing from MS is discussed. It is shown that this is hardly possible using a standard approach to treatment of MS, but it can be seen in more subtle details of the MS below the Curie temperature, such as widths and positions of separate lines.
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