Characterization of surface and subsurface defects induced by abrasive machining of optical crystals using grazing incidence X-ray diffraction and molecular dynamics.
Characterization of surface and subsurface defects induced by abrasive machining of optical crystals using grazing incidence X-ray diffraction and molecular dynamics.
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使用掠入射 X 射线衍射和分子动力学表征光学晶体研磨加工引起的表面和次表面缺陷
DOI：
10.1016/j.jare.2021.05.006
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发表时间：
2022-03
影响因子：
10.7
通讯作者：
Hu K
中科院分区：
文献类型：
--
作者：
Zhang Y;Wang Q;Li C;Piao Y;Hou N;Hu K
基于GIXD和MD，揭示了微裂纹与衍射图样曲线之间的映射关系。准确地评估和表征了研磨加工引起的CaF2晶体的表面和亚表面缺陷。分子动力学模拟结果与实验结果吻合较好。该研究为纳米和微米尺度下单晶缺陷的无损检测提供了一种新的技术手段.由于光学晶体的脆性，在研磨加工过程中容易产生表面和亚表面缺陷。这些缺陷的准确表征是获得具有高表面完整性的光学元件的先决条件。本工作旨在评估研磨加工引起的CaF2单晶的亚表面缺陷，微裂纹和衍射图案曲线之间的映射，以及微裂纹对晶格结构的影响。本工作采用分子动力学模拟、掠入射X射线衍射实验和截面TEM检测等方法。在对研磨和抛光样品的掠入射X射线衍射（GIXD）检测实验中，非理论掠入射角下的峰位偏移现象表明亚表面受到了一定程度的损伤。通过实验和模拟中衍射图样曲线的“峰漂移”特征的一致性来评价亚表面的微裂纹。此外，横截面TEM结果表明，在亚表面上发现了规则的微裂纹，这与模拟结果吻合得很好。利用分子动力学模拟方法研究了研磨加工过程中CaF2单晶的亚表面缺陷以及微裂纹对晶格结构的影响。模拟结果揭示了微裂纹与衍射图样曲线之间的映射关系，表明在特定晶面衍射角附近存在“峰漂移”现象。本工作为单晶材料缺陷的纳米、微米级无损检测提供了一种新技术。
The mappings between micro cracks and diffraction pattern curves were revealed based on GIXD and MD. Surface and subsurface defects of CaF2 crystals induced by abrasive machining were evaluated and characterized accurately. MD simulated results agreed well with the experimental results. This work provided a novel technology for nondestructive testing of defects of single crystals at nano- and micro- scales. Surface and subsurface defects were easily induced during abrasive machining process of optical crystals due to their high brittleness. Accurate characterization of these defects is the prerequisite for obtaining optical components with high surface integrity. This work aims to evaluate subsurface defects of CaF2 single crystals induced by abrasive machining, the mappings between micro cracks and diffraction pattern curves, and the influence of micro cracks on lattice structures. Molecular dynamics simulation, grazing incidence X-ray diffraction experiments and cross-sectional TEM detection were used in this work. In grazing incidence X-ray diffraction (GIXD) detection experiments on lapping and polished specimens, shifts phenomenon of the peak position under the non-theoretical grazing incidence angle indicated that the subsurface was damaged to a certain extent. The micro cracks of the subsurface were evaluated by the consistent characteristic of “peak drift” of the diffraction pattern curve in both experiments and simulations. In addition, cross-sectional TEM results showed that regular micro cracks were found on the subsurface, which agreed well with the simulation results. The subsurface defects of CaF2 single crystals induced by abrasive machining, and the influence of micro cracks on lattice structures can be evaluated by molecular dynamics simulation. The simulation results revealed the mappings between the micro cracks and diffraction pattern curve, which demonstrated that a phenomenon of “peak drift” occurred near the diffraction angle of a specific crystal plane. This work provided a novel technology for the nondestructive testing of defects of single crystal materials at nano- and micro- scales.
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DOI：
10.1088/0965-0393/21/5/055020
发表时间：
2013-07-01
影响因子：
1.8
作者：
Coleman, S. P.;Spearot, D. E.;Capolungo, L.
通讯作者：
Capolungo, L.
影响因子：
3.3
作者：
Baskurt, Mehmet;Kang, Jun;Sahin, Hasan
通讯作者：
Sahin, Hasan
影响因子：
6.2
作者：
Li, Chen;Li, Xuliang;Zhang, Feihu
通讯作者：
Zhang, Feihu
影响因子：
5
作者：
Choubey, Ambar;Jain, R. K.;Oak, S. M.
通讯作者：
Oak, S. M.
影响因子：
1
作者：
Jin, QH;Feng, SX;Ding, DT
通讯作者：
Ding, DT