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arXiv 2408.08154cond-mat.mtrl-scicond-mat.dis-nncond-mat.soft
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凝聚态物质中的结构多样性:晶体、非晶态固体及中间结构的通用表征

Structural Diversity in Condensed Matter: A General Characterization of Crystals, Amorphous Solids and the Structures Between

Yueran Wang, Peter Harrowell

AI总结:

本研究引入改编自生物多样性的结构多样性定义,以FLS晶格模型验证其可区分晶体与非晶态、识别中间态结构,并可作为序参量归类结构变化场景,为凝聚态结构表征提供通用方法。

摘要:

本文引入了改编自生物多样性文献的结构多样性定义,用以对凝聚态物质的结构进行通用表征。以Favored Local Structure(FLS,偏好局域结构)晶格模型为测试平台,研究发现该多样性度量可有效滤除外在噪声,并能有效区分晶体与非晶态结构。我们识别出一类介于晶体和玻璃态之间的有趣结构,其特征是短程有序与长程无序的复杂组合。我们还演示了如何将该多样性作为序参量,依据结构随多样性提升而发生的变化对各类场景进行归类。

英文摘要:

A definition of structural diversity, adapted from the biodiversity literature, is introduced to provide a general characterization of structures of condensed matter. Using the Favored Local Structure (FLS) lattice model as a testbed, the diversity measure is found to effectively filter extrinsic noise and to provide a useful differentiation between crystal and amorphous structures. We identify an interesting class of structures intermediate between crystals and glasses that are characterised by a complex combination of short-range ordering and long-range disorder. We demonstrate how the diversity can be used as an order parameter to organise various scenarios by structure change in response to increasing diversity.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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