Molecular Dynamics Investigation of the Deformation Mechanism of Gold with Variations in Mold Profiles during Nanoimprinting.
Molecular Dynamics Investigation of the Deformation Mechanism of Gold with Variations in Mold Profiles during Nanoimprinting.
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DOI：
10.3390/ma14102548
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发表时间：
2021-05-14
期刊：
影响因子：
--
通讯作者：
Desai S
中科院分区：
文献类型：
--
作者：
Gaikwad A;Desai S
了解纳米压印光刻过程中的变形行为对于高分辨率图案化至关重要。采用分子动力学建模来研究不同模具轮廓（圆柱形、矩形和球形）对 von Mises 应力、晶格位错和材料变形的影响。与矩形和圆柱形轮廓相比，由于 NIL 模具穿透阶段接触表面积较大，球形模具轮廓具有相对较高的 von Mises 应力 (1.08 × 107 Pa)。在模具穿透阶段，所有模具几何形状的 von Mises 应力均显着增加。基于金原子的重新排列，冯米塞斯应力在松弛和模具恢复阶段有所减少。变形过程中的晶格位错揭示了 BCC 结构的形成，该结构在模具取出后进一步恢复为 FCC 结构。多面体模板匹配（PTM）方法用于解释 FCC 结构的保留和基材的后续延展行为。圆柱形模具在两个正交方向上的回弹百分比最低，因此与球形和矩形模具相比，可以高保真度地复制模具轮廓。这项研究的结果可以帮助设计多种应用的模具。
Understanding the deformation behavior during nanoimprint lithography is crucial for high resolution patterning. Molecular dynamics modeling was implemented to investigate the effect of different mold profiles (cylindrical, rectangular, and spherical) on the von Mises stress, lattice dislocations, and material deformation. Relatively higher von Mises stress (1.08 × 107 Pa) was observed for the spherical mold profile compared to the rectangular and cylindrical profiles due to the larger surface area of contact during the mold penetration stage of NIL. Substantial increases in the von Mises stress were observed for all the mold geometries during the mold penetration stage. The von Mises stresses had a reduction in the relaxation and mold retrieval stages based on the rearrangement of the gold atoms. The lattice dislocation during the deformation process revealed the formation of the BCC structure which further reverted to the FCC structure after the mold retrieval. The polyhedral template matching (PTM) method was used to explain the retention of the FCC structure and subsequent ductile behavior of the substrate. The cylindrical mold had the lowest percentage spring back in both of the orthogonal directions and thus replicated the mold profile with high-fidelity as compared to the spherical and rectangular molds. The findings of this research can aid the design of molds for several applications.
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DOI：
10.1143/jjap.43.7665
发表时间：
2004-11-01
期刊：
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
影响因子：
--
作者：
Hsu, QC;Wu, CD;Fang, TH
通讯作者：
Fang, TH
影响因子：
2.3
作者：
Macintyre, DS;Thoms, S
通讯作者：
Thoms, S
影响因子：
16.2
作者：
Hollingsworth SA;Dror RO
通讯作者：
Dror RO
影响因子：
3.6
作者：
Kontio, Juha M.;Husu, Hannu;Kauranen, Martti
通讯作者：
Kauranen, Martti
影响因子：
2.3
作者：
Buzzi, Stefano;Robin, Franck;Loeffler, Jorg F.
通讯作者：
Loeffler, Jorg F.