We explore the structure–property relationships in hybrid organosilicate glasses that form a special class of materials for use in advanced interconnects to improve their mechanical reliability by exploiting the structural characteristics most effectively. Our results show that hybrid organosilicate glasses that are hyperconnected and derived from organic linkers with optimal molecular geometry lead to exceptional elastic and fracture properties. Using molecular dynamics simulations and the min-cut algorithm that is based on a novel graph theory approach, we demonstrate the choice of hyperconnected and cyclic planar organic linkers, such as the 1,3,5-benzene ring, significantly increases the bulk modulus and total fracture bond density, which is directly correlated with fracture energy.

中文翻译：

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用于高级互连的机械可靠的混合有机硅酸盐玻璃

我们探索了混合有机硅酸盐玻璃中的结构-性能关系，这些玻璃形成了一类特殊的材料，用于先进的互连，通过最有效地利用结构特性来提高其机械可靠性。我们的结果表明，超连接并衍生自具有最佳分子几何形状的有机连接体的混合有机硅酸盐玻璃具有出色的弹性和断裂特性。使用分子动力学模拟和基于新图论方法的最小切割算法，我们展示了超连接和环状平面有机连接器的选择，例如 1,3,5-苯环，显着增加了体积模量和与断裂能直接相关的总断裂键密度。