遇见数据集

Data for The Persistence of Memory in Ionic Conduction Probed by Nonlinear Optics

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Zenodo2023-12-05 更新2026-05-26 收录
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Experimental and computational data and analysis workflows for the manuscript "The Persistence of Memory in Ionic Conduction Probed by Nonlinear Optics" (doi:10.1038/s41586-023-06827-6). Python scripts: paper_tke_plots_pub.py is for experimental TKE plots analysis_pumping_pub.py is for computational TKE plots Python requirements for the work-up of experimental data are the typical scientific python stack: numpy, matplotlib, scipy, pandas, sympy. Computational counterpart of the TKE experiment uses essentially the same hopping analysis as our computational study https://www.nature.com/articles/s41563-022-01316-z with its scripting available at https://github.com/apoletayev/anomalous_ion_conduction/ . The python package requirements are, in addition to above, networkx, freud, deepgraph, fastparquet, pyarrow. All python scripts work best when run in a notebook-like fashion cell by cell (e.g. with spyder).Experimental data: TKE, OKE, THz transmission.Computational data: example simulations of Na beta-alumina, K beta-alumina, K beta"-alumina. The files include tracking the simulation temperatures, centers of mass of the mobile ions, and hopping. Basic usage: download and unzip data. Install python dependencies (e.g. using conda or pip). Run python from the same directory in which the data folders are located. All paths in the scripts are relative.

本数据集对应论文《利用非线性光学探测离子传导中的记忆持久性》(DOI:10.1038/s41586-023-06827-6)所涉及的实验与计算数据及分析工作流。附带Python脚本如下: `paper_tke_plots_pub.py`用于生成实验瞬态克尔效应(TKE, Transient Kerr Effect)绘图; `analysis_pumping_pub.py`用于生成计算TKE绘图。 实验数据后处理所需的Python依赖为标准科学计算Python栈:numpy、matplotlib、scipy、pandas、sympy。 TKE实验的计算分析模块所采用的跳跃分析方法,与我们此前发表的计算研究(https://www.nature.com/articles/s41563-022-01316-z)基本一致,该研究的配套脚本可从https://github.com/apoletayev/anomalous_ion_conduction/ 获取。该计算分析的额外Python依赖包括networkx、freud、deepgraph、fastparquet、pyarrow。所有Python脚本以逐单元格运行的笔记本式环境(如Spyder)运行时效果最佳。 实验数据涵盖:瞬态克尔效应(TKE)、光学克尔效应(OKE, Optical Kerr Effect)、太赫兹(THz, Terahertz)透射光谱数据。 计算数据包含钠β-氧化铝、钾β-氧化铝、钾β''-氧化铝的示例模拟结果,文件中记录了模拟温度、可移动离子的质心位置以及离子跳跃行为。 基本使用流程:下载并解压数据集,安装Python依赖(可通过conda或pip完成),在数据文件夹所在的同级目录中运行Python脚本,脚本内所有路径均为相对路径。

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Zenodo
创建时间:
2023-10-25
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