Water-induced entropy reduction and its impact on friction and hardness of alumina borate solid lubricant

IF 3.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2025-03-01 Epub Date: 2025-02-13 DOI:10.1016/j.commatsci.2025.113779
Sung-Yup Kim, Nicholas J. Wilson, Mark R. Pederson, Eunja Kim
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Abstract

This study investigates the intricate interplay of chemical reactions, mechanical dynamics, and material properties in friction simulations, focusing on Alumina borate as a solid lubricant. Contrary to conventional expectations, our findings reveal that specific combinations of temperature and velocity lead to unexpected increases in the coefficient of friction (COF), influenced by the elemental distribution in the lubricant’s surface layer. While Alumina borate generally maintains its structure across various conditions, certain thermal and mechanical environments cause deviations that negatively affect COF and hardness. Notably, the introduction of water molecules to the lubricant surface improves both COF and hardness, a result linked to the reduction of system entropy through water-lubricant interactions. This mechanism, which counters the typical trade-off between friction and hardness, introduces two saturation points where optimal performance for each property is observed. Our finding of this entropy-reducing interaction suggests the potential for other substances to outperform water in lubrication, providing a new direction for future research in material science and tribology.

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水致熵减及其对硼酸氧化铝固体润滑剂摩擦和硬度的影响
本研究探讨了摩擦模拟中化学反应、机械动力学和材料特性之间复杂的相互作用,重点研究了硼酸铝作为固体润滑剂。与传统预期相反,我们的研究结果表明,温度和速度的特定组合会导致摩擦系数(COF)的意外增加,这受润滑剂表层元素分布的影响。虽然硼酸铝通常在各种条件下保持其结构,但某些热和机械环境会导致偏差,对COF和硬度产生负面影响。值得注意的是,将水分子引入润滑剂表面可以提高COF和硬度,这与水-润滑剂相互作用降低系统熵有关。这种机制抵消了摩擦和硬度之间的典型权衡,引入了两个饱和点,在这两个饱和点上,可以观察到每种性能的最佳性能。我们发现这种减少熵的相互作用表明,其他物质在润滑方面的表现可能超过水,为材料科学和摩擦学的未来研究提供了一个新的方向。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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