Molecular Dynamics Study of the Effect of Carbon Atoms on the Surface Tension of Silicon–carbon Alloy

Taka Narumi; Yasushi Shibuta; Takeshi Yoshikawa

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Molecular Dynamics Study of the Effect of Carbon Atoms on the Surface Tension of Silicon–carbon Alloy

机译：碳原子对硅碳合金表面张力影响的分子动力学研究

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We conducted molecular dynamics simulations of Si–C alloy to understand the atomistic behavior of solute C atoms near the melt surface and to estimate the surface tension. The surface tensions of liquid Si and C were first evaluated and compared with experimental values and those for other metals. The composition dependence of the surface tension of Si–C alloy was then evaluated, and compared with estimates obtained using the modified Butler’s model. The behavior of C atoms at the surface of liquid Si–C alloys is also discussed.

机译：我们进行了Si–C合金的分子动力学模拟，以了解熔体表面附近的溶质C原子的原子行为并估计表面张力。首先评估了液态硅和碳的表面张力，并将其与实验值以及其他金属的表面张力进行了比较。然后评估了Si-C合金表面张力的成分依赖性，并与使用改进的Butler模型获得的估计值进行了比较。还讨论了液态Si–C合金表面C原子的行为。

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《ISIJ international》 |2020年第2期|共6页
作者
Taka Narumi; Yasushi Shibuta; Takeshi Yoshikawa;
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中图分类钢铁冶炼（黑色金属冶炼）（总论）;
关键词
molecular dynamicssurface tension of alloysolution growthsilicon carbide;

机译：分子动力学合金溶液生长的表面张力碳化硅;

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Molecular Dynamics Study of the Effect of Carbon Atoms on the Surface Tension of Silicon–carbon Alloy

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