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Molecular Origins of the Mechanical Behavior of Hybrid Glasses

机译：混合玻璃力学行为的分子起源

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摘要

Hybrid organic-inorganic glasses exhibit unique electro-optical properties along with excellent thermal stability. Their inherently mechanically fragile nature, however, which derives from the oxide component of the hybrid glass network together with the presence of terminal groups that reduce network connectivity, remains a fundamental challenge for their integration in nanoscience and energy technologies. We report on a combined synthesis and computational strategy to elucidate the effect of molecular structure on mechanical properties of hybrid glass films. We first demonstrate the importance of rigidity percolation to elastic behavior. Secondly, using a novel application of graph theory, we reveal the complex 3-D fracture path at the molecular scale and show that fracture energy in brittle hybrid glasses is fundamentally governed by the bond percolation properties of the network. The computational tools and scaling laws presented provide a robust predictive capability for guiding precursor selection and molecular network design of advanced hybrid organic-inorganic materials.
机译：混合有机-无机玻璃表现出独特的电光特性以及出色的热稳定性。然而，它们固有的机械易碎性（源自混合玻璃网络的氧化物成分以及会降低网络连通性的端基的存在）仍然是其在纳米科学和能源技术中整合的根本挑战。我们报告了综合的合成和计算策略，以阐明分子结构对混合玻璃薄膜力学性能的影响。我们首先证明了刚性渗透对弹性行为的重要性。其次，使用图论的新颖应用，我们揭示了分子尺度上复杂的3-D断裂路径，并表明，脆性杂化玻璃的断裂能从根本上取决于网络的键渗透特性。提出的计算工具和缩放定律提供了强大的预测能力，可指导高级杂化有机-无机材料的前体选择和分子网络设计。

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  • 来源
    《Advanced Functional Materials》 |2010年第17期|P.2884-2892|共9页
  • 作者

    Mark S. Oliver; Geraud Dubois; Mark Sherwood; David M. Gage; Reinhold H. Dauskardt;

  • 作者单位

    Department of Materials Science and Engineering Stanford University Stanford, CA 94305 (USA);

    rnDepartment of Materials Science and Engineering Stanford University Stanford, CA 94305 (USA) Department of Advanced Organic Materials IBM Almaden Research Center 650 Harry Road, San Jose, CA 95120 (USA);

    rnDepartment of Advanced Organic Materials IBM Almaden Research Center 650 Harry Road, San Jose, CA 95120 (USA);

    rnDepartment of Materials Science and Engineering Stanford University Stanford, CA 94305 (USA);

    rnDepartment of Materials Science and Engineering Stanford University Stanford, CA 94305 (USA);

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