首页> 外文期刊>Journal of Applied Mechanics and Technical Physics >ERRATUM TO: 'EFFECTIVE MOLECULAR DYNAMICS MODEL OF IONIC SOLUTIONS FOR LARGE-SCALE CALCULATIONS' [Journal of Applied Mechanics and Technical Physics 59 (1), 41 51 (2018)]
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ERRATUM TO: 'EFFECTIVE MOLECULAR DYNAMICS MODEL OF IONIC SOLUTIONS FOR LARGE-SCALE CALCULATIONS' [Journal of Applied Mechanics and Technical Physics 59 (1), 41 51 (2018)]

机译:更改为:“大规模计算中离子溶液的有效分子动力学模型” [应用力学和技术物理学学报59(1),41 51(2018)]

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摘要

In the original publication, there are several misprints. 1. The author’s affilation was misspelled. It should read “V. E. Zalizniak_(a,b), O. A. Zolotov_(a,b), and I. I. Ryzhkov_(a,b)” instead of “V. E. Zalizniak_(a,b), O. A. Zolotov_(a,b), and I. I. Ryzhkov_(b).” 2. In Abstract, it should read “It is shown that the calculated parameters of ions hydration shells are in good agreement with the theoretical and experimental data at salt concentrations up to 1 mol/kg” instead of “It is shown that the calculated values of the hydration shells of ions parameters are in good agreement with the theoretical and experimental data at a salt concentration of 1 mol/kg.” 3. In Introduction (page 41, second paragraph), it should read “The intermolecular interaction between two water molecules is computed using the Lennard-Jones potential with just a single interaction point per molecule” instead of “Interaction of water molecules is described by the Lennard-Jones potential.” 4. In Section 3.4 (page 46, second paragraph), it should read “The temperature dependence of salt solutions density was investigated in [26] using the interaction potential based on the SPC/E water model” instead of “The temperature dependence of the density of the salt solutions of was investigated in [26] using the interaction potential based on the SPC/E water model.” 5. In Conclusions (page 49, second paragraph), it should read “The proposed interaction potential can be used in large-scale to model flows of ionic solutions in nanostructures” instead of “The proposed interaction potential can be in large-scale calculations to model flows of ionic solutions in nanostructures.” 6. In third paragraph, it should read “The calculations were performed at the Center of High-Performance Computing of the Siberian Federal University” instead of “The calculations were performed at the Center of High- Performance Calculations of the Siberian Federal University.”.
机译:在原始出版物中,有一些印刷错误。 1.作者的亲属拼写错误。它应显示为“ V. E. Zalizniak_(a,b),O。A. Zolotov_(a,b)和I. I. Ryzhkov_(a,b)”而不是“ V. E. Zalizniak_(a,b),O。A. Zolotov_(a,b)和I. I. Ryzhkov_(b)。” 2.在摘要中,应改为“表明在高达1 mol / kg的盐浓度下,离子水合壳的计算参数与理论和实验数据非常吻合”,而不是“表明计算值盐浓度为1 mol / kg时,离子水化壳的参数与理论和实验数据非常吻合。” 3.在“简介”(第41页,第二段)中,应改为“使用Lennard-Jones势能计算两个水分子之间的分子间相互作用,每个分子只有一个相互作用点”,而不是“通过以下方法描述水分子的相互作用:伦纳德·琼斯的潜力。” 4.在第3.4节(第46页,第二段)中,应阅读“在[26]中使用基于SPC / E水模型的相互作用势研究了盐溶液密度的温度依赖性”,而不是“盐溶液的温度依赖性”。使用基于SPC / E水模型的相互作用势,在[26]中研究了盐溶液的密度。” 5.在结论(第49页,第二段)中,应改为“拟议的相互作用电势可用于大规模模拟纳米结构中离子溶液的流动”,而不是“拟议的相互作用电势可用于大规模计算”。以模拟纳米结构中离子溶液的流动。” 6.在第三段中,应改为“在西伯利亚联邦大学高性能计算中心进行计算”,而不是“在西伯利亚联邦大学高性能计算中心进行计算”。 。

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    Institute of Mathematics and Fundamental Informatics, Siberian Federal University,Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences;

    Institute of Mathematics and Fundamental Informatics, Siberian Federal University,Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences;

    Institute of Mathematics and Fundamental Informatics, Siberian Federal University,Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences;

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  • 入库时间 2022-08-18 03:02:31

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