Inferring planar disorder in close-packed structures via epsilon-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide.
Inferring planar disorder in close-packed structures via epsilon-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide.
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通过ε机器光谱重建理论推断密排结构中的平面无序：硫化锌的结构和本征计算。
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发表时间：
2007
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通讯作者：
J. P. Crutchfield
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作者：
D. P. Varn;Geoffrey Canright;Geoffrey Canright;J. P. Crutchfield;J. P. Crutchfield
我们应用 epsilon 机器光谱重建理论来分析先前发表的四个硫化锌衍射光谱中的结构和无序，并将结果与最常见的替代理论（故障模型）进行对比。在每种情况下，我们发现重建的 epsilon 机器提供了对堆叠结构更全面和详细的理解，通常检测到以前未发现的堆叠结构。使用为每个光谱重建的 epsilon 机器，我们计算了许多物理参数 - 例如构型能量、构型熵和六边形 - 以及几个数量 - 包括统计复杂性和过剩熵 - 描述了堆叠结构的内在计算特性。
We apply epsilon-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulfide diffraction spectra and contrast the results with the most common alternative theory, the fault model. In each case we find that the reconstructed epsilon-machine provides a more comprehensive and detailed understanding of the stacking structure, often detecting stacking structures not previously found. Using the epsilon-machines reconstructed for each spectrum, we calculate a number of physical parameters - such as configurational energies, configurational entropies and hexagonality - and several quantities - including statistical complexity and excess entropy - that describe the intrinsic computational properties of the stacking structures.