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用于研究单电子在钠的中性和带电团簇能量中作用的统计和数据可视化技术。

Statistical and data visualization techniques to study the role of one-electron in the energy of neutral and charged clusters of Na.

作者信息

Ghazi Seyed Mohammad, Mahmoudi Mohammadreza

机构信息

Department of Physics, Faculty of Science, Fasa University, Fasa, 74616-86131, Iran.

Department of Statistics, Faculty of Science, Fasa University, Fasa, 74616-86131, Iran.

出版信息

Sci Rep. 2025 Jan 11;15(1):1739. doi: 10.1038/s41598-025-86141-5.

Abstract

In this work, we explored the role of a single electron in the energy of neutral and charged clusters of using data visualization and statistical techniques as a new insight. Initially, we studied the effects of one electron, time, and temperature on energy using multiple linear regression analysis with dummy variables, and the results demonstrated that all three predictors significantly affected the energy. Time had a positive impact (direct ratio effect) on the energy of , and and a negative impact (inverse ratio effect) on the energy of while temperature had a positive effect on the energy of all three sodium clusters. Then, to study the thermodynamic properties of each cluster, we employed the fuzzy clustering technique. The results verified that each sodium cluster is divided into three groups based on the different temperatures used to investigate the thermodynamic properties of each cluster. Finally, time series analysis was applied to investigate the behavior of the energy in each sodium cluster and each temperature. We used the statistical software R version 4.3.3 to perform all statistical computations.

摘要

在这项工作中,我们运用数据可视化和统计技术作为一种新的视角,探究了单个电子在[具体物质]中性和带电团簇能量中的作用。最初,我们使用含虚拟变量的多元线性回归分析研究了一个电子、时间和温度对能量的影响,结果表明所有这三个预测变量对能量都有显著影响。时间对[具体物质1]的能量有正向影响(正比效应),对[具体物质2]的能量有负向影响(反比效应),而温度对所有三个钠团簇的能量都有正向影响。然后,为了研究每个团簇的热力学性质,我们采用了模糊聚类技术。结果证实,根据用于研究每个团簇热力学性质的不同温度,每个钠团簇被分为三组。最后,应用时间序列分析来研究每个钠团簇在每个温度下的能量行为。我们使用统计软件R版本4.3.3进行所有统计计算。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7af6/11724881/0341f6b4ec71/41598_2025_86141_Fig1_HTML.jpg

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