紫外纳米压印光刻（UV-NIL）是一种接触式紫外光刻制造方法，光刻胶/模具的界面特性对纳米图案的表面形貌有相当大的影响。考虑到界面区域的分子相互作用，UV-NIL 脱模过程的研究应将几种从微观细节到宏观特性的长度尺度方法联系起来。构建了多尺度聚合物光刻胶/模具模型来研究 UV-NIL 的脱模过程。通过原子尺度研究研究了抗蚀剂/模具的界面特性，特别是与交联转化的关系。研究发现，随着交联转化率的增加，界面能降低，但给界面分离带来更大的应力。将界面的牵引-分离描述引入到连续介质模型中，应力分布表明纳米光栅根部在脱模瞬间承受了较大的应力。模拟和实验室实验表明，高度交联的抗蚀剂会增加界面粘附力，在脱模过程中对纳米图案产生不利影响。适当降低转化率可以限制界面应力并保持所需的形貌。

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Ultraviolet nanoimprint lithography (UV-NIL) is a contact UV lithography fabrication method, and the interfacial properties of resist/mold have considerable attribute on the surface morphology of nanopatterns. Considering molecular interactions of interface region, investigation of the UV-NIL demolding process should associate several length scale approaches from the microscopic details to macroscopic properties. A multi-scale polymer resist/mold model was constructed to study demolding process of UV-NIL. The interfacial properties of resist/mold were studied through atomistic scale investigation, especially the relationship with the crosslinking conversion. It was found that with the increasing crosslinking conversion, the interfacial energy decreased but brought more stress to interfacial separation. The traction-separation description of interface was introduced to continuum model, and the stress distribution indicated that the root of nano-grating was subjected to more stress at the moment of mold detachment. The simulations and laboratory experiments suggested that highly crosslinked resist would increase interfacial adhesion, adversely effect on nanopatterns during the demolding process. Appropriately reducing the conversion could limit the interfacial stress and keep desired morphology.