Show simple item record

dc.contributor.authorQian, Dong
dc.contributor.authorPhadke, Manas
dc.contributor.authorKarpov, Eduard
dc.contributor.authorLiu, Wing Kam
dc.date.accessioned2011-04-29T11:44:20Z
dc.date.available2011-04-29T11:44:20Z
dc.date.issued2011-01
dc.identifier.bibliographicCitationQian, D., Phadke, M., Karpov, E., & Liu, W. K. 2011. A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures. Computational Mechanics, 47(1): 31-47. DOI: 10.1007/s00466-010-0525-xen
dc.identifier.issn0178-7675
dc.identifier.otherDOI: 10.1007/s00466-010-0525-x
dc.identifier.urihttp://hdl.handle.net/10027/7559
dc.descriptionThe original publication is available at www.springerlink.com; DOI: 10.1007/s00466-010-0525-xen
dc.description.abstractWe present a domain-reduction approach for the simulation of one-dimensional nanocrystalline structures. In this approach, the domain of interest is partitioned into coarse and fine scale regions and the coupling between the two is implemented through a bridging-scale interfacial boundary condition. The atomistic simulation is used in the fine scale region, while the discrete Fourier transform is applied to the coarse scale region to yield a compact Green‟s function formulation that represents the effects of the coarse scale domain upon the fine/coarse scale interface. This approach facilitates the simulations for the fine scale, without the requirement to simulate the entire coarse scale domain. After the illustration in a simple 1D problem and comparison with analytical solutions, the proposed method is then implemented for carbon nanotube structures. The robustness of the proposed multiscale method is demonstrated after comparison and verification of our results with benchmark results from fully atomistic simulations.en
dc.description.sponsorshipDong Qian and Eduard Karpov would like to acknowledge the general support from the National Science Foundation (grants CMMI 0600583, 0700107 and 0900498). Wing Kam Liu is supported by NSF grant CMMI 0823327.en
dc.language.isoen_USen
dc.publisherSpringer Verlagen
dc.subjectnanocrystallineen
dc.subjectbridge-scaling methoden
dc.titleA domain-reduction approach to bridging-scale simulation of one-dimensional nanostructuresen
dc.typeArticleen


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record