A Comprehensive Review on Molecular Dynamics Simulations of Forced Convective Heat Transfer in Nanochannels

As the demand for miniaturization of thermal management systems for electronic devices rises, numerous researchers are dedicating their efforts to the study of single-phase forced convective heat transfer (FCHT) within nanoscale channels. However, investigating FCHT in nanochannels (FCHT-NC) using experimental and theoretical methods is challenging. Alternately, molecular dynamics (MD) simulations have emerged as a unique and powerful technique in recent years. This paper presents a comprehensive review of the application of the MD simulation method in the study of FCHT-NC. Firstly, the current paper reviews various simulation techniques and models, along with their associated primary parameters employed in FCHT-NC, through a detailed and systematic literature survey and critical analysis. Evaluating the current methods and discussing their limitations provide helpful guidelines for future studies. Furthermore, based on the existing literature in the MD simulation, this review outlines all influencing parameters on the performance of FCHT-NC, covering their effects and discussing underlying mechanisms. Finally, key challenges and future research directions are summarized in this review, thereby providing essential support for researchers seeking to apply the MD simulation method to investigate FCHT-NC.