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.
Persistent homology-based descriptor for machine-learning potential of amorphous structures
The Institute of Scientific and Industrial Research, Osaka University(大阪大学产业科学研究所);Institute for Molecular Science(分子科学研究所);JST, PRESTO(日本科学技术振兴机构PRESTO项目);Center for Artificial Intelligence and Mathematical Data Science, Okayama University(冈山大学人工智能与数学数据科学中心);The University of Tokyo(东京大学)
Electronic excitation of ultrafast collective amorphous-amorphous transitions in glassy phase-change material
Suzhou Institute for Advanced Research, University of Science and Technology of China(中国科学技术大学苏州高等研究院);State Key Laboratory of Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University(吉林大学电子科学与工程学院集成光电子学国家重点联合实验室);Key Laboratory for Laser Plasmas (Ministry of Education), School of Physics and Astronomy, Shanghai Jiao Tong University(上海交通大学物理与天文学院激光等离子体教育部重点实验室);School of Integrated Circuits, Shanghai Jiao Tong University(上海交通大学集成电路学院);Department of Physics, University of Science and Technology of China(中国科学技术大学物理系);State Key Laboratory of Precision Spectroscopy, and School of Physics and Electronic Science, East China Normal University(华东师范大学物理与电子科学学院精密光谱科学与技术国家重点实验室);Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University(上海交通大学张江高等研究院)