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<p>This study used molecular dynamics simulations to investigate the influence of initial temperature on the thermal performance of a nanostructure composed of silica aerogel, copper oxide, and phase change material inside a cylindrical channel. The results from molecular dynamics simulations performed over a continuous 10-ns duration revealed substantial changes in the thermal characteristics and dynamics of the silica aerogel/copper oxide/PCM nanostructure as the initial temperature increased from 300 to 375&#xa0;K. The sample’s total energy stabilized at 549.18&#xa0;kJ/mol, whilst the kinetic energy reached 3.762&#xa0;kJ/mol. As the initial temperature increased, the maximum particle density dropped from 0.1379 to 0.1364 atoms/ų, indicating a reduction in particle packing density. Simultaneously, the maximum velocity of particles rose from 0.0116 to 0.0129 Å/fs, indicating that a higher initial temperature imparted more kinetic energy, leading to accelerated atomic motion. The maximum temperature inside the nanostructure increased from 631 to 655&#xa0;K, indicating improved energy absorption and retention at elevated initial temperatures. The heat flow increased from 71.25 to 72.28&#xa0;W/m², indicating improved energy transfer resulting from intensified atomic interactions at elevated initial temperatures. The thermal conductivity of the nanostructure increased from 1.82 to 1.94&#xa0;W/m·K, indicating enhanced efficiency in heat conduction. Conversely, the charge duration, denoting the time necessary for the system to attain thermal equilibrium, decreased from 6.10 to 5.94 ns, indicating expedited equilibration at elevated initial temperatures. The discharge time, indicative of the rate at which particles disseminate through the material, decreased marginally from 8.54 to 8.52 ns, indicating a little enhancement in particle mobility.</p>

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The effect of initial temperature on the thermal performance of silica aerogel/copper oxide/pcm nanostructure in a cylindrical channel using molecular dynamics simulation

  • 期刊论文

  • 发表日期：

    2025年8月5日

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  • As’ad Alizadeh,
  • Samad Jafarmadar,
  • Morteza Khalilian,
  • Davood Toghraie

摘要

This study used molecular dynamics simulations to investigate the influence of initial temperature on the thermal performance of a nanostructure composed of silica aerogel, copper oxide, and phase change material inside a cylindrical channel. The results from molecular dynamics simulations performed over a continuous 10-ns duration revealed substantial changes in the thermal characteristics and dynamics of the silica aerogel/copper oxide/PCM nanostructure as the initial temperature increased from 300 to 375 K. The sample’s total energy stabilized at 549.18 kJ/mol, whilst the kinetic energy reached 3.762 kJ/mol. As the initial temperature increased, the maximum particle density dropped from 0.1379 to 0.1364 atoms/ų, indicating a reduction in particle packing density. Simultaneously, the maximum velocity of particles rose from 0.0116 to 0.0129 Å/fs, indicating that a higher initial temperature imparted more kinetic energy, leading to accelerated atomic motion. The maximum temperature inside the nanostructure increased from 631 to 655 K, indicating improved energy absorption and retention at elevated initial temperatures. The heat flow increased from 71.25 to 72.28 W/m², indicating improved energy transfer resulting from intensified atomic interactions at elevated initial temperatures. The thermal conductivity of the nanostructure increased from 1.82 to 1.94 W/m·K, indicating enhanced efficiency in heat conduction. Conversely, the charge duration, denoting the time necessary for the system to attain thermal equilibrium, decreased from 6.10 to 5.94 ns, indicating expedited equilibration at elevated initial temperatures. The discharge time, indicative of the rate at which particles disseminate through the material, decreased marginally from 8.54 to 8.52 ns, indicating a little enhancement in particle mobility.