Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computational cost. The combined method is applied to the propagation of a laser-induced pressure wave in a solid. We find good agreement of the wave profile in the molecular dynamics and finite element regions. This computational approach can be useful in cases where a detailed atomic-level analysis is necessary in localized spatially separated regions whereas continuum mechanics and thermodynamics is sufficient in the remainder of the system.
All Science Journal Classification (ASJC) codes
- Hardware and Architecture
- Physics and Astronomy(all)