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arXiv 1608.07087cond-mat.mtrl-sci
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软化超硬:单晶金刚石中杨氏模量的受控变化

Softening the ultra-stiff: controlled variation of Young's modulus in single crystal diamond

A. Battiato, M. Lorusso, E. Bernardi, F. Picollo, F. Bosia, D. Ugues, A. Zelferino, A. Damin, J. Baima, N. M. Pugno, E. P. Ambrosio, P. Olivero

摘要:

结合实验和数值研究的缺陷单晶金刚石的弹性性能的变化首次提出,通过比较纳米压痕测量的MeV离子注入样品的多尺度建模,包括从头算原子计算和介观尺度有限元方法(FEM)模拟。发现通过在2 × 10^18 - 5 × 10^21 cm-3密度范围内局部引入缺陷,可以在金刚石晶体结构中诱导密度的显著降低,而不会引起材料的石墨化。从头算原子模拟证实了实验结果具有良好的信心。进一步采用有限元模拟来验证测量的变形与刚度降低的一致性,并推导出注入区域中的应变和应力水平。结合这些实验和数值结果,我们还提供了深入的机制,负责金刚石石墨化阈值的深度依赖性。这项工作展望了通过缺陷工程实现单晶金刚石的机械性能的精确可调谐性的可能性,具有重要的技术应用,即金刚石基微机械谐振器的谐振频率的制造和控制。

英文摘要:

A combined experimental and numerical study on the variation of the elastic properties of defective single-crystal diamond is presented for the first time, by comparing nano-indentation measurements on MeV-ion-implanted samples with multi-scale modeling consisting of both ab initio atomistic calculations and meso-scale Finite Element Method (FEM) simulations. It is found that by locally introducing defects in the 2x10^18 - 5x10^21 cm-3 density range, a significant reduction of, as well as of density, can be induced in the diamond crystal structure without incurring in the graphitization of the material. Ab initio atomistic simulations confirm the experimental findings with a good degree of confidence. FEM simulations are further employed to verify the consistency of measured deformations with a stiffness reduction, and to derive strain and stress levels in the implanted region. Combining these experimental and numerical results, we also provide insight into the mechanism responsible for the depth dependence of the graphitization threshold in diamond. This work prospects the possibility of achieving accurate tunability of the mechanical properties of single-crystal diamond through defect engineering, with significant technological applications, i.e. the fabrication and control of the resonant frequency of diamond-based micromechanical resonators.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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