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应用分子动力学模拟软件Materials Studio构建SU-8光刻胶与Ni基底的界面结构,研究后烘温度对界面结合性的影响.结合工艺中所采用的后烘温度,模拟计算了338～368K时Ni基底上SU-8胶的交联反应,在经过反复的能量最小化和分子动力学模拟后,对最终得到的平衡结构进行了界面结合能的计算.计算结果表明界面结合能随着后烘温度的升高而增大,在368K时结合能达到最大值,说明此时界面结合最好.对分子体系进行了能量分析,结果表明界面分子间的范德华力作用能是影响界面结合的主要因素.对体系界面原子间进行了径向分布函数分析,发现范德华力作用范围内(0.31～0.60nm)出现两组Ni—O的强峰,也证实了上述结论。
The interfacial structure of SU-8 photoresist and Ni substrate was constructed by using molecular dynamics simulation software Materials Studio to study the effect of post-baking temperature on the interfacial bonding properties.According to the post-baking temperature used in the process, Ni-based SU-8 adhesive cross-linking reaction, after repeated energy minimization and molecular dynamics simulation, the resulting equilibrium structure of the interface binding energy calculations show that the interface binding energy with the post-baking The temperature increases and the maximum value can be reached at 368K, which shows that the interface is best at this time.The energy analysis of the molecular system shows that the van der Waals forces between the interfacial molecules are the main factors affecting the interfacial bonding The radial distribution function analysis of the interfacial atoms was carried out and it was found that the strong peaks of Ni-O in two groups appeared within the range of van der Waals forces (0.31 ~ 0.60nm), which also confirm the above conclusion.