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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Mechanistic view of the relaxation dynamics of a simple glass-former. A bridge between the topographic and the dynamic approaches
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Mechanistic view of the relaxation dynamics of a simple glass-former. A bridge between the topographic and the dynamic approaches

机译：简单玻璃成形器的松弛动力学的机械视图。地形与动态方法之间的桥梁

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We provide a link between the two main approaches to the relaxation dynamics of glassy systems: The 'real dynamics' scheme and the inherent dynamics or topographic formalism. The first approach is based on molecular dynamics (MD) simulations, whilst the second one reflects the underlying influence of the energy 'landscape' (within a timescale separation and activated dynamics scenario) and constitutes a widespread picture within the realm of complex systems ranging from glasses to biopolymers. For a model glass-former (a binary Lennard-Jones system), MD studies which characterized in detail the movements of the different particles led to the discovery of dynamical heterogeneities. On the other hand, the topographic approach identified activated events on the potential energy surface of this system corresponding to transitions between different basins of attraction or inherent structures. In this work we demonstrate that at low temperature the relevant events identified by both methods conform to a basic mechanistic phenomenology with elementary steps involving ballistic string-like particle movements. We also show that as temperature increases and the timescales characterizing events of different range become comparable, these elemental steps loose their nature of rare activated events. Concurrently, the system looses diversity and complexity, signatures of glassy behavior. This fact enables us to furnish for the first time the microscopic structural and dynamical basis and conditions for the prevalence of the 'landscape paradigm' for this class of systems. (C) 2004 Elsevier B.V. All rights reserved.
机译：我们为玻璃态系统的松弛动力学提供了两种主要方法之间的联系：“真实动力学”方案和固有动力学或地形形式主义。第一种方法基于分子动力学（MD）模拟，而第二种方法则反映了能量“景观”的潜在影响（在时间尺度分离和激活的动力学情况下），并构成了复杂系统范围内的广泛图景。玻璃到生物聚合物。对于模型玻璃成型机（二进制Lennard-Jones系统），MD研究详细描述了不同粒子的运动，从而发现了动态异质性。另一方面，地形学方法识别了该系统的势能表面上的激活事件，该事件对应于不同吸引盆地或固有结构之间的过渡。在这项工作中，我们证明了在低温下，通过两种方法识别的相关事件符合基本的力学现象学，其基本步骤涉及弹道弦状粒子运动。我们还表明，随着温度的升高和表征不同范围事件的时间尺度变得可比，这些基本步骤失去了稀有激活事件的性质。同时，该系统失去了多样性和复杂性，即玻璃态行为的特征。这一事实使我们能够首次为此类系统的“景观范式”的流行提供微观的结构和动力学基础和条件。 （C）2004 Elsevier B.V.保留所有权利。

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