{"title":"用分子动力学方法研究不同磁场频率下二氧化硅-气凝胶/PCM的热性能","authors":"Narinderjit Singh Sawaran Singh , Rassol H. Rasheed , Younis Mohamed Atiah Al-zahy , Murtadha M. Al-Zahiwat , Soheil Salahshour , Maboud Hekmatifar","doi":"10.1016/j.nanoso.2025.101505","DOIUrl":null,"url":null,"abstract":"<div><div>The significance of advanced energy storage methods is underscored by the increasing demand for renewable energy, which is a result of the need to reduce greenhouse gas emissions and the high cost of gas. Silica aerogels and phase change materials provide effective solutions for temperature regulation and thermal energy storage. This study examines the impact of magnetic field frequency on the thermal performance of a cubic silica aerogel/phase change material nanostructure that contained CuO nanoparticles. It capitalized on the superior thermal insulation properties of silica aerogels to enhance energy conservation and minimize environmental impact. The utilization of a molecular dynamic simulation enabled us to investigate the movement of heat between particles and their unique characteristics. The impact of various magnetic field frequencies on critical parameters, such as density, temperature, thermal conductivity, heat flux, and charging/discharging periods, was investigated through molecular dynamics simulations. The results indicate that the maximum density increased from 0.999 to 1.035 atoms/ų as the magnetic field frequency increased to 0.05 fs⁻¹ . In contrast, the maximum velocity diminishes from 0.0092 to 0.0081 Å/fs, and the maximum temperature decreases from 762 K to 743 K. The heat flux and thermal conductivity diminish to 69.88 W/m² and 1.82 W/m·K, respectively, as the magnetic field frequency increases. It is important to note that the discharging time decreased slightly to 8.06 ns at a frequency of 0.05 fs⁻¹ , while the charging time increased, reaching 7.12 ns. These findings underscore the potential of the combination of PCMs with silica aerogels to improve thermal management and energy storage applications through the application of magnetic fields.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"43 ","pages":"Article 101505"},"PeriodicalIF":5.4500,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A molecular dynamics approach to investigate the thermal performance of silica-aerogel/PCM at different magnetic field frequencies\",\"authors\":\"Narinderjit Singh Sawaran Singh , Rassol H. Rasheed , Younis Mohamed Atiah Al-zahy , Murtadha M. Al-Zahiwat , Soheil Salahshour , Maboud Hekmatifar\",\"doi\":\"10.1016/j.nanoso.2025.101505\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The significance of advanced energy storage methods is underscored by the increasing demand for renewable energy, which is a result of the need to reduce greenhouse gas emissions and the high cost of gas. Silica aerogels and phase change materials provide effective solutions for temperature regulation and thermal energy storage. This study examines the impact of magnetic field frequency on the thermal performance of a cubic silica aerogel/phase change material nanostructure that contained CuO nanoparticles. It capitalized on the superior thermal insulation properties of silica aerogels to enhance energy conservation and minimize environmental impact. The utilization of a molecular dynamic simulation enabled us to investigate the movement of heat between particles and their unique characteristics. The impact of various magnetic field frequencies on critical parameters, such as density, temperature, thermal conductivity, heat flux, and charging/discharging periods, was investigated through molecular dynamics simulations. The results indicate that the maximum density increased from 0.999 to 1.035 atoms/ų as the magnetic field frequency increased to 0.05 fs⁻¹ . In contrast, the maximum velocity diminishes from 0.0092 to 0.0081 Å/fs, and the maximum temperature decreases from 762 K to 743 K. The heat flux and thermal conductivity diminish to 69.88 W/m² and 1.82 W/m·K, respectively, as the magnetic field frequency increases. It is important to note that the discharging time decreased slightly to 8.06 ns at a frequency of 0.05 fs⁻¹ , while the charging time increased, reaching 7.12 ns. These findings underscore the potential of the combination of PCMs with silica aerogels to improve thermal management and energy storage applications through the application of magnetic fields.</div></div>\",\"PeriodicalId\":397,\"journal\":{\"name\":\"Nano-Structures & Nano-Objects\",\"volume\":\"43 \",\"pages\":\"Article 101505\"},\"PeriodicalIF\":5.4500,\"publicationDate\":\"2025-06-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nano-Structures & Nano-Objects\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2352507X25000757\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Physics and Astronomy\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano-Structures & Nano-Objects","FirstCategoryId":"1","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352507X25000757","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}
A molecular dynamics approach to investigate the thermal performance of silica-aerogel/PCM at different magnetic field frequencies
The significance of advanced energy storage methods is underscored by the increasing demand for renewable energy, which is a result of the need to reduce greenhouse gas emissions and the high cost of gas. Silica aerogels and phase change materials provide effective solutions for temperature regulation and thermal energy storage. This study examines the impact of magnetic field frequency on the thermal performance of a cubic silica aerogel/phase change material nanostructure that contained CuO nanoparticles. It capitalized on the superior thermal insulation properties of silica aerogels to enhance energy conservation and minimize environmental impact. The utilization of a molecular dynamic simulation enabled us to investigate the movement of heat between particles and their unique characteristics. The impact of various magnetic field frequencies on critical parameters, such as density, temperature, thermal conductivity, heat flux, and charging/discharging periods, was investigated through molecular dynamics simulations. The results indicate that the maximum density increased from 0.999 to 1.035 atoms/ų as the magnetic field frequency increased to 0.05 fs⁻¹ . In contrast, the maximum velocity diminishes from 0.0092 to 0.0081 Å/fs, and the maximum temperature decreases from 762 K to 743 K. The heat flux and thermal conductivity diminish to 69.88 W/m² and 1.82 W/m·K, respectively, as the magnetic field frequency increases. It is important to note that the discharging time decreased slightly to 8.06 ns at a frequency of 0.05 fs⁻¹ , while the charging time increased, reaching 7.12 ns. These findings underscore the potential of the combination of PCMs with silica aerogels to improve thermal management and energy storage applications through the application of magnetic fields.
期刊介绍:
Nano-Structures & Nano-Objects is a new journal devoted to all aspects of the synthesis and the properties of this new flourishing domain. The journal is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. The journal is focused on the objects rather than on their applications. However, the research for new applications of original nano-structures & nano-objects in various fields such as nano-electronics, energy conversion, catalysis, drug delivery and nano-medicine is also welcome. The scope of Nano-Structures & Nano-Objects involves: -Metal and alloy nanoparticles with complex nanostructures such as shape control, core-shell and dumbells -Oxide nanoparticles and nanostructures, with complex oxide/metal, oxide/surface and oxide /organic interfaces -Inorganic semi-conducting nanoparticles (quantum dots) with an emphasis on new phases, structures, shapes and complexity -Nanostructures involving molecular inorganic species such as nanoparticles of coordination compounds, molecular magnets, spin transition nanoparticles etc. or organic nano-objects, in particular for molecular electronics -Nanostructured materials such as nano-MOFs and nano-zeolites -Hetero-junctions between molecules and nano-objects, between different nano-objects & nanostructures or between nano-objects & nanostructures and surfaces -Methods of characterization specific of the nano size or adapted for the nano size such as X-ray and neutron scattering, light scattering, NMR, Raman, Plasmonics, near field microscopies, various TEM and SEM techniques, magnetic studies, etc .