Multiscale modeling of wave propagation: FDTD/MD hybrid method

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

Abstract

Atomic level processes often play an important role in the way a material responds to an external field. Thus in order to model the behavior of materials accurately, it is necessary to develop simulation techniques which can effectively couple atomistic effects to the macroscopic properties of the model system and vice-versa. In other words, a multiscale methodology needs to be developed to bridge the different length and time scales. In this work we study the propagation of an elastic wave through a coupled continuum-atomistic medium. The equations of motion for the wave propagation through the continuum are solved using the Finite Difference Time Domain Method (FDTD). Simultaneously we use Molecular Dynamics (MD) to examine the effect of the wave packet on the atomic dynamics and the effect of atomic dynamics on the propagation of the wave. The handshaking between the FDTD region and the MD region is concurrent.

Original languageEnglish (US)
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsA Zavaliangos, V Tikare, E.A. Olevsky
Pages15-20
Number of pages6
Volume731
Publication statusPublished - 2002
EventModeling and Numerical Simulation of Materials Behavior and Evolution - San Francisco, CA, United States
Duration: Apr 2 2002Apr 5 2002

Other

OtherModeling and Numerical Simulation of Materials Behavior and Evolution
CountryUnited States
CitySan Francisco, CA
Period4/2/024/5/02

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Muralidharan, K., Deymier, P. A., & Simmons, J. H. (2002). Multiscale modeling of wave propagation: FDTD/MD hybrid method. In A. Zavaliangos, V. Tikare, & E. A. Olevsky (Eds.), Materials Research Society Symposium - Proceedings (Vol. 731, pp. 15-20)