Abstract In the computational study, the MD approach is used. MD simulations express that by adding Fe nanoparticles to base-fluid the highest rate of velocity/ temperature of base fluid 12%/37% increases. This atomic behavior has importance in industrial applications of nanofluids. Further, our simulations express that the temperature, velocity and density profiles of water/Fe nanofluid in Fe microchannel are enhanced by the radius of nanoparticles rising. Numerically, by nanoparticle radius enhancing from 10 A to 20 A, the maximum density of nanofluid rises from 0.033 to 0.048. Further, the highest rate of nanofluid particle velocity enhances from 0.038 A /fs to 0.054 A /fs. Through velocity enhancing, the temperature of simulated structures increases to 954 K, and phase transition occurring on the nanofluid structure. Physically, the size of simulated nanoparticle has an important effect on fluid flow and transition phase of this atomic structure. The time of transition in the simulation box varies from 0.5 ns to 0.38 ns. Hence, we underestand adding nanoparticle to base fluid improves the thermal manner of this structure.

中文翻译：

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使用分子动力学模拟研究具有不同尺寸 Fe 纳米颗粒的微通道中纳米流体流动的时间演变

摘要 在计算研究中，使用了MD方法。MD 模拟表明，通过将 Fe 纳米颗粒添加到基液中，基液的最高速度/温度增加了 12%/37%。这种原子行为在纳米流体的工业应用中具有重要意义。此外，我们的模拟表明，随着纳米粒子半径的增加，Fe 微通道中水/Fe 纳米流体的温度、速度和密度分布得到增强。从数值上看，随着纳米粒子半径从 10 A 增加到 20 A，纳米流体的最大密度从 0.033 增加到 0.048。此外，纳米流体粒子速度的最高速率从 0.038 A /fs 提高到 0.054 A /fs。通过速度增强，模拟结构的温度增加到 954 K，纳米流体结构发生相变。身体上，模拟纳米粒子的大小对这种原子结构的流体流动和过渡相有重要影响。仿真框中的转换时间从 0.5 ns 到 0.38 ns 不等。因此，我们理解在基液中添加纳米颗粒可以改善这种结构的热方式。