Chap. 7 Molecular dynamics-continuum hybrid simulation method and applications.

• Date:2025-04-30
• Title:Chap. 7 Molecular dynamics-continuum hybrid simulation method and applications.
• Publisher:Nova Science Publishers
• Brief Introduction:In micro-/nano-electro-mechanical systems (MEMS/NEMS), many physical phenomena show inherent multiscale features, where microscopic characteristics exist at interfaces but the influence could reach the bulk in larger scales. In these situations, the conventional continuity assumption usually breaks down demanding for a more detailed atomistic description. Therefore, the so-called hybrid simulation method benefitting both the discrete and continuum numerical methods has been proposed and developed. In this chapter, the molecular dynamics-continuum hybrid simulation method is first introduced point-by-point. Then, code validations and performace evaluations are presented to verify the reliability, stability, flexibility and high-effiency of the hybrid simulation method. Finally, some examples of applications are given including pressure-driven liquid flow in smooth and rough micro/nanochannels, shear-driven liquid flow in micro/nanochannels and condensation of gas flow in nanochannel.
• Translated or Not:No
• Date of Publication:2016-02-10
• Co-author:Jie SUN*