Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles
In this Letter, Equilibrium Molecular Dynamics (EMD) simulations were used to investigate the nanoparticle volume fraction-dependent thermal conductivity of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles (IAuNPs) within the Green–Kubo formula. Thermal condu...
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2019-12-01
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| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379719318492 |
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doaj-93b7b27b578e4df4b6b67d35f34d683b2020-11-25T01:16:35ZengElsevierResults in Physics2211-37972019-12-0115Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticlesR. Essajai0I. Tabtab1A. Mzerd2O. Mounkachi3N. Hassanain4M. Qjani5Group of Semiconductors and Environmental Sensor Technologies – Energy Research Center (ERC), Faculty of Science, Mohammed V University, B. P. 1014, Rabat, Morocco; Corresponding author.Department of Chemistry, Faculty of Sciences, Ibn Tofail University, BP 133, 14000 Kenitra, MoroccoGroup of Semiconductors and Environmental Sensor Technologies – Energy Research Center (ERC), Faculty of Science, Mohammed V University, B. P. 1014, Rabat, MoroccoLaMCScI, Faculty of Science, Mohammed V University, B. P. 1014, Rabat, MoroccoGroup of Semiconductors and Environmental Sensor Technologies – Energy Research Center (ERC), Faculty of Science, Mohammed V University, B. P. 1014, Rabat, MoroccoLCMP, Faculty of Sciences, Chouaïb Doukkali University, B. P. 20, El Jadida, MoroccoIn this Letter, Equilibrium Molecular Dynamics (EMD) simulations were used to investigate the nanoparticle volume fraction-dependent thermal conductivity of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles (IAuNPs) within the Green–Kubo formula. Thermal conductivities of nanofluids containing spherical AuNPs were also studied for comparison. The results showed that the 1D network shape of IAuNPs improves the nanofluid thermal conductivity better than the spherical shape of AuNP. The mechanism responsible for this finding is discussed using the Mean-Square-Displacement (MSD) analysis and the Radial-Distribution-Function (RDF). Keywords: 1D network of interconnected gold nanoparticles, Argon-based nanofluid, Thermal conductivity, Diffusion coefficient, Molecular dynamics simulationshttp://www.sciencedirect.com/science/article/pii/S2211379719318492 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
R. Essajai I. Tabtab A. Mzerd O. Mounkachi N. Hassanain M. Qjani |
| spellingShingle |
R. Essajai I. Tabtab A. Mzerd O. Mounkachi N. Hassanain M. Qjani Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles Results in Physics |
| author_facet |
R. Essajai I. Tabtab A. Mzerd O. Mounkachi N. Hassanain M. Qjani |
| author_sort |
R. Essajai |
| title |
Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles |
| title_short |
Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles |
| title_full |
Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles |
| title_fullStr |
Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles |
| title_full_unstemmed |
Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles |
| title_sort |
molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-d) network of interconnected gold nanoparticles |
| publisher |
Elsevier |
| series |
Results in Physics |
| issn |
2211-3797 |
| publishDate |
2019-12-01 |
| description |
In this Letter, Equilibrium Molecular Dynamics (EMD) simulations were used to investigate the nanoparticle volume fraction-dependent thermal conductivity of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles (IAuNPs) within the Green–Kubo formula. Thermal conductivities of nanofluids containing spherical AuNPs were also studied for comparison. The results showed that the 1D network shape of IAuNPs improves the nanofluid thermal conductivity better than the spherical shape of AuNP. The mechanism responsible for this finding is discussed using the Mean-Square-Displacement (MSD) analysis and the Radial-Distribution-Function (RDF). Keywords: 1D network of interconnected gold nanoparticles, Argon-based nanofluid, Thermal conductivity, Diffusion coefficient, Molecular dynamics simulations |
| url |
http://www.sciencedirect.com/science/article/pii/S2211379719318492 |
| work_keys_str_mv |
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