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基于X射线相干衍射成像方法的微纳米梁变形场测量
Measuring deformation field of micro-/nano-structures with coherent x-ray diffraction imaging
投稿时间:2020-02-26  修订日期:2020-03-30
DOI:
中文关键词:  X射线相干衍射成像  分子动力学模拟;纳米梁  变形场测量
英文关键词:coherent x-ray diffractive imaging  molecular dynamics simulations  deformation field measurement
基金项目:国家重大科研仪器研制项目,编号11627901
作者单位E-mail
肖雨佳 西南交通大学材料科学与工程学院 630975118@qq.com 
陈森 顶峰多尺度科学研究所 schen@pims.ac.cn 
钟政烨 西南交通大学材料科学与工程学院 Email:zhongzhengye@swjtu.edu.cn 
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中文摘要:
      微纳米结构在外加荷载下的响应研究具有重要的意义,但是对于其在外加荷载下的响应的实验研究缺少有效的实验方法。本工作将大规模MD(molecular dynamics,分子动力学)模拟与X射线CDI(coherent diffraction imaging,相干衍射成像)模拟相结合,验证了通过X射线相干衍射成像方法准确地测量纳米梁结构变形场的可行性。用于CDI模拟的原子结构模型从MD模拟中获得。基于实验几何结构和探测器参数模拟了二维X射线相干衍射信号。使用混合输入和输出算法进行对两种加载模式下的纳米梁结构进行二维图像重建。通过将分子动力学直接获得的及CDI重构获得的位移场进行对比,确认此方法的可靠性。微纳米结构变形场的准确测量为提取纳米尺度的表面特性,如表面杨氏模量和残余表面应力的提供了可行性。
英文摘要:
      Response of micro- and nano- structures under various loading conditions has drawn great attention due to its wide applications. However, there is still a lack of experimental methods for in-situ characterization. This work combines the large scale molecular dynamics (MD) simulations and coherent x-ray diffraction imaging (CDI) simulations, to validate its feasibility of meauring the deformation fields of micro-/nano-structures accurately with CDI. Atomic configurations for the CDI simulations are obtained from MD simulations. Two dimensional diffraction patterns are calculated based on experimental geometries and detector parameters. Hybrid input and output (HIO) algorithm is used for image reconstruction. Deformation fields derived from MD simulations and CDI reconstructions are compared. This work demonstrates the feasibility of accurate measuring of the deformation field with CDI, and further provides the opportunities to evaluate the parameterized surface effects of micro-/nano-structures under various loading conditions, such as surface modulus and surface stress.
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