Maxwell + TDDFT multi-scale simulation for laser-matter interactions
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- A. Sato Shunsuke
- Graduate School of Pure and Applied Sciences, University of Tsukuba
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- Yabana Kazuhiro
- Graduate School of Pure and Applied Sciences, University of Tsukuba Center for Computational Sciences, University of Tsukuba
Description
We are developing a theoretical and computational method to describe interactions between an intense laser pulse and a solid. The laser-solid interactions are extensively investigated in current frontiers of optical sciences. There are two spatial scales in the problem: the scale of laser wavelength typically a μm and the scale of electron dynamics in a solid less than a nm. We have developed a multi-scale simulation for this problem, describing propagation of the electromagnetic fields by the Maxwell equations and the electron dynamics in a unit cell of a solid by the time-dependent density functional theory. In calculating the coupled dynamics, we employ a finite difference scheme for both space and time variables. Two kinds of grids with different grid spacings are used for space, while a single time step is used for time. We present our theoretical framework, numerical implementation, and parallelization of our multi-scale simulation. It will be shown that high parallel efficiency and computing performance are realized in our computational code.
Journal
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- Journal of Advanced Simulation in Science and Engineering
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Journal of Advanced Simulation in Science and Engineering 1 (1), 98-110, 2014
Japan Society for Simulation Technology
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Details 詳細情報について
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- CRID
- 1390001205756190848
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- NII Article ID
- 130004709208
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- ISSN
- 21885303
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- Text Lang
- en
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- Data Source
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
- OpenAIRE
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- Abstract License Flag
- Disallowed