Elastic properties of face-centred cubic Fe-Mn-C studied by nanoindentation and ab initio calculations
Elastic properties of face-centred cubic Fe-Mn-C studied by nanoindentation and ab initio calculations
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DOI：
10.1016/j.actamat.2012.07.038
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发表时间：
2012-10
期刊：
影响因子：
9.4
通讯作者：
S. Reeh;D. Music;T. Gebhardt;M. Kasprzak;T. Jäpel;S. Zaefferer;D. Raabe;S. Richter;A. Schwedt-A.-Sc
中科院分区：
文献类型：
--
作者：
S. Reeh;D. Music;T. Gebhardt;M. Kasprzak;T. Jäpel;S. Zaefferer;D. Raabe;S. Richter;A. Schwedt-A.-Sc
本文从实验和理论两方面研究了C和Mn含量对Fe-Mn-C合金杨氏模量的影响。对组合薄膜和块体样品进行了结构、织构和杨氏模量的表征。研究了以下化学成分范围：1.5-3.0at。% C, 28.0-37.5at。% Mn和60.6-69.8at。%铁。实验晶格参数在3.597-3.614Å范围内随C的加入变化不大，与从头计算结果一致。试样和薄膜的杨氏模量分别在185±12-251±59GPa范围内。在本文研究的成分范围内，C对这些合金的杨氏模量没有显著影响。在3at时，从头计算的杨氏模量比沉积和抛光薄膜的平均杨氏模量大15-22%。结果表明，等效成分的弹性性能与薄膜样品的弹性性能相似，表明组合薄膜方法结合从头计算的应用研究策略对于研究Fe-Mn-C合金的结构和弹性性能对成分的依赖是有用的。所提出的计算与实验确定的晶格参数和杨氏模量值之间非常吻合，这意味着本文采用的模拟策略可以可靠地描述Fe-Mn合金中的碳，这对未来的合金设计很重要。
We have studied experimentally and theoretically the influence of C and Mn content on the Young’s modulus of Fe–Mn–C alloys. Combinatorial thin film and bulk samples were characterized regarding their structure, texture and Young’s modulus. The following chemical composition range was investigated: 1.5–3.0at.% C, 28.0–37.5at.% Mn and 60.6–69.8at.% Fe. The experimental lattice parameters change marginally within 3.597–3.614Å with the addition of C and are consistent with ab initio calculations. The Young’s modulus data are in the range of 185±12–251±59GPa for the bulk samples and the thin film, respectively. C has no significant effect on the Young’s modulus of these alloys within the composition range studied here. The ab initio calculations are 15–22% larger than the average Young’s modulus values of the as-deposited and polished thin film at 3at.% C. The comparison of thin film and bulk samples results reveals similar elastic properties for equivalent compositions, indicating that the applied research strategy consisting of the combinatorial thin film approach in conjunction with ab initio calculations is useful to study the composition dependence of the structure and elastic properties of Fe–Mn–C alloys. The very good agreement between the presented calculations and the experimentally determined lattice parameters and Young’s modulus values implies that the here-adopted simulation strategy yields a reliable description of carbon in Fe–Mn alloys, important for future alloy design.