Understanding iron and its alloys from first principles

Entel P.; Hoffmann E.; Nepecks G.; Wassermann EF.; Acet M. Crisan V.; Akai H.; Herper HC.

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Understanding iron and its alloys from first principles

机译：从第一原理了解铁及其合金

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Fe and its alloys in the fee structure reveal a variety of phases which, depending on the composition and temperature, show Invar and anti-Invar effects as well as martensitic transformations and shape memory effects. The variety of phases and the involvement of magnetic order on the structural stability will be discussed on the basis of nb initio calculations. [References: 39]

机译：费结构中的铁及其合金显示出各种相，根据组成和温度，它们显示出因瓦合金和反因瓦合金效应以及马氏体相变和形状记忆效应。在nb初始计算的基础上，将讨论相的变化以及磁序对结构稳定性的影响。 [参考：39]

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《Philosophical magazine, B. Physics of condensed matter, electronic, optical, and magnetic properties》 |2000年第2期|共13页
作者
Entel P.; Hoffmann E.; Nepecks G.; Wassermann EF.; Acet M. Crisan V.; Akai H.; Herper HC.;
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正文语种 eng
中图分类物理学;
关键词
Electronic-structure; Invar; Fe; Spin; Bcc; Co; Transition; Disorder; Systems; Ni;

机译：电子结构;殷钢;Fe;自旋;Bcc;Co;过渡;无序;系统;Ni;

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机译：从第一原理了解铁及其合金
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3. First-principles studies on alloying and simplified thermodynamic aqueous chemical stability of calcium-, zinc-, aluminum-, yttrium- and iron-doped magnesium alloys. [J] . Velikokhatnyi OI, Kumta PN Acta biomaterialia . 2010,第5期

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5. First-principles study of iron and (iron,nickel) alloys up to core pressures. [D] . Eimer, Benjamin C. 2006

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7. First-principles Study on Crystal Structures and Elasticity of Pure Iron and Iron-light Element Alloys at the Earth's Inner Core [O] . Takahiro ISHIKAWA, Taku TSUCHIYA 2011

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8. First principles theory of disordered alloys and alloy phase stability [R] . Stocks, G. M. , Nicholson, D. M. C. , Shelton, W. A. 1993

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Understanding iron and its alloys from first principles

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