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Structure, stability and stress properties of amorphous and nanostructured carbon films

机译:非晶态和非晶态的结构,稳定性和应力性质   纳米结构碳膜

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摘要

Structural and mechanical properties of amorphous and nanocomposite carbonare investigated using tight-binding molecular dynamics and Monte Carlosimulations. In the case of amorphous carbon, we show that the variation ofsp^3 fraction as a function of density is linear over the whole range ofpossible densities, and that the bulk moduli follow closely the power-lawvariation suggested by Thorpe. We also review earlier work pertained to theintrinsic stress state of tetrahedral amorphous carbon. In the case ofnanocomposites, we show that the diamond inclusions are stable only in denseamorphous tetrahedral matrices. Their hardness is considerably higher than thatof pure amorphous carbon films. Fully relaxed diamond nanocomposites possesszero average intrinsic stress.
机译:使用紧密结合的分子动力学和蒙特卡洛模拟研究了非晶态和纳米复合碳的结构和力学性能。在无定形碳的情况下,我们表明sp ^ 3分数随密度的变化在可能的密度的整个范围内都是线性的,并且本体模量紧随索普提出的幂律变化。我们还回顾了有关四面体无定形碳的固有应力状态的早期工作。在纳米复合材料的情况下,我们表明金刚石包裹体仅在致密的非晶四面体矩阵中稳定。它们的硬度大大高于纯无定形碳膜的硬度。完全松弛的金刚石纳米复合材料的平均固有应力为零。

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