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Thermal properties of tricalcium aluminate: Molecular dynamics simulation and experimental approach
Cement and Concrete Research ( IF 10.9 ) Pub Date : 2025-01-06 , DOI: 10.1016/j.cemconres.2024.107780
Prodip Kumar Sarkar, Guido Goracci, Jorge S. Dolado

The energy sector is making a noticeable effort to migrate towards renewable energy to tackle the global warming effect. At large scale, a concentrated solar plant (CSP) is one of the viable options with limitations of steady heat generation due to the uncertainty of sunlight. Thermal batteries can mitigate the trouble to a large extent. Recently, concrete (artificial rock glued by cement) has become a point of interest for the research community as a cheap, nontoxic option. In this paper, thermo-mechanical properties of tricalcium aluminate (C3A) have been studied for the first time in the framework of molecular dynamics along with modulated differential scanning calorimetry (MDSC) based experiments. The outcome suggests high-temperature stability of the material with reasonably higher heat capacity and thermal conductivity useful for potential application for thermal battery. Heat transport mechanism at the atomistic level has thoroughly been discussed.

中文翻译:


铝酸三钙的热性能:分子动力学模拟和实验方法



能源行业正在做出显著的努力,转向可再生能源,以应对全球变暖效应。在大规模上,聚光太阳能发电厂 (CSP) 是一种可行的选择,但由于阳光的不确定性,它限制了稳定产生的热量。热电池可以在很大程度上缓解这种麻烦。最近,混凝土(用水泥粘合的人造石)作为一种廉价、无毒的选择,已成为研究界的兴趣点。在本文中,首次在分子动力学框架下研究了铝酸三钙 (C3A) 的热机械性能以及基于调制差示扫描量热法 (MDSC) 的实验。结果表明,该材料的高温稳定性具有合理的较高热容量和导热性,可用于热电池的潜在应用。原子水平的热传输机制已经被彻底讨论过。
更新日期:2025-01-06
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