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Effects of Microstructure Formation on the Stability of Vapor Deposited Glasses

机译:微观结构的形成对气相沉积玻璃稳定性的影响

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Glasses formed by physical vapor deposition (PVD) are an interesting new class of materials, exhibiting properties thought to be equivalent to those aged for thousands of years. Exerting control over the properties of PVD glasses formed with different types of glass forming molecules is now an emerging challenge. In this work, we study coarse grained models of organic glass formers containing fluorocarbon tails of increasing length, corresponding to an increased tendency to form microstructures. We use simulated PVD to examine how the presence of the microphase separated domains influences the ability to form stable glasses. This model suggests that increasing molecule tail length results in decreased thermodynamic and kinetic stability of the molecules in PVD films. We find that the relaxation time near the surface of ordinary glass films formed by these molecules remains essentially bulk-like, and the surface diffusion is markedly reduced. Based on these results, we propose a trapping mechanism where tails are unable to move between local phase separated domains on the relevant simulation time scales.
机译:通过物理气相沉积(PVD)形成的玻璃是一类有趣的新型材料,其显示的性能被认为等同于几千年的老化。现在,对由不同类型的玻璃形成分子形成的PVD玻璃的性能进行控制已成为一个新的挑战。在这项工作中,我们研究了有机玻璃形成剂的粗粒度模型,其中包含长度不断增加的碳氟化合物尾部,这与形成微观结构的趋势增加相对应。我们使用模拟的PVD来检查微相分离域的存在如何影响形成稳定玻璃的能力。该模型表明,增加分子尾长会导致PVD膜中分子的热力学和动力学稳定性降低。我们发现,由这些分子形成的普通玻璃膜表面附近的弛豫时间基本上保持为块状,并且表面扩散明显减少。基于这些结果,我们提出了一种诱集机制,其中尾部无法在相关的仿真时间尺度上在局部相分离域之间移动。

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