Surface characteristics and thermal conductivity of Gold-water nanostructure using Molecular Dynamic simulation

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NIK ZAD M.R.; NIKZAD S.

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Journal: NANOSCALE Year:2020 | Volume:7 | Issue:2 Page(s): 77-88

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Title

Surface characteristics and thermal conductivity of Gold-water nanostructure using Molecular Dynamic simulation

Author(s)

NIK ZAD M.R. | NIKZAD S. | Issue Writer Certificate

Keywords

Molecular dynamicQ1

liquid vapor interfaceQ1

Gold NanoparticlesQ1

Thermal conductivityQ2

Abstract

The aim of this study is simulating a system of water-GNPs and investigating nanofluid specifications and heat transfer proses from nanoparticles to solution. The initial condition is coordinated by the use of Packmol and Moltemplate codes, General equations were applied by the use of LAMMPS open-source code. Post-Processing methods were down by the use of MATLAB, VMD and Python software. Heat transfer proses from GNPs to solution investigated by the use of SNEMD method. According to the result, adding GNPs reduces the interface layer and increases surface tension value. The rate of surface tension and mole fraction enhancement with the bigger GNPs is greater than the system with smaller GNPs. In cooling proses, the heat transfers fewer than 5ps in 2mm and heat conduction in the first layer of water is 50% greater than other parts of the fluid. It can be concluded that, when the molecular density increases near the surface of Nanofluid, and reduction of surface tension, Nanofluids dispersion with organic fluid is less possible. This phenomenon helps to increase the diagnosis and treatment efficiency. Therefore, by the use of GNPs in Hyperthermia, Increasing temperature has higher impacts on cancer cells closer to GNPs than far normal cells.

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APA: Copy

NIK ZAD, M.R., & NIKZAD, S.. (2020). Surface characteristics and thermal conductivity of Gold-water nanostructure using Molecular Dynamic simulation. NANOSCALE, 7(2 ), 77-88. SID. https://sid.ir/paper/256967/en

Vancouver: Copy

NIK ZAD M.R., NIKZAD S.. Surface characteristics and thermal conductivity of Gold-water nanostructure using Molecular Dynamic simulation. NANOSCALE[Internet]. 2020;7(2 ):77-88. Available from: https://sid.ir/paper/256967/en

IEEE: Copy

M.R. NIK ZAD, and S. NIKZAD, “Surface characteristics and thermal conductivity of Gold-water nanostructure using Molecular Dynamic simulation,” NANOSCALE, vol. 7, no. 2 , pp. 77–88, 2020, [Online]. Available: https://sid.ir/paper/256967/en

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