Simulating atomic-scale defects with atomic methods and extended finite elements

Jay Oswald

doi:10.4071/2012dpc-wp34

Simulating atomic-scale defects with atomic methods and extended finite elements

Jay Oswald

Engineering of Matter, Transport and Energy, School for (IAFSE-SEMTE)

Research output: Contribution to conference › Paper › peer-review

Abstract

Accomplishments - Bridging discontinuities between continuum and atomic models with XFEM. - Enrichment functions that represent defects in a simulation: • Dislocations modeled as strong discontinuities and singular fields. • Works well for anisotropic/complex materials. Challenges/Future work - Coupling with molecular dynamics to get better dislocation core energy. - Coupling with diffusion models - to model dislocations as sinks for dopants.

Original language	English (US)
DOIs	https://doi.org/10.4071/2012dpc-wp34
State	Published - 2012
Event	8th Annual IMAPS International Conference and Exhibition on Device Packaging, DPC 2012 - In Conjunction with the Global Business Council, GBC 2012 Spring Conference - Scottsdale/Fountain Hills, AZ, United States Duration: Mar 5 2012 → Mar 8 2012

Other

Other	8th Annual IMAPS International Conference and Exhibition on Device Packaging, DPC 2012 - In Conjunction with the Global Business Council, GBC 2012 Spring Conference
Country/Territory	United States
City	Scottsdale/Fountain Hills, AZ
Period	3/5/12 → 3/8/12

ASJC Scopus subject areas

Electrical and Electronic Engineering
Electronic, Optical and Magnetic Materials

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10.4071/2012dpc-wp34

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Simulating atomic-scale defects with atomic methods and extended finite elements. / Oswald, Jay.
2012. Paper presented at 8th Annual IMAPS International Conference and Exhibition on Device Packaging, DPC 2012 - In Conjunction with the Global Business Council, GBC 2012 Spring Conference, Scottsdale/Fountain Hills, AZ, United States.

Research output: Contribution to conference › Paper › peer-review

Oswald, J 2012, 'Simulating atomic-scale defects with atomic methods and extended finite elements', Paper presented at 8th Annual IMAPS International Conference and Exhibition on Device Packaging, DPC 2012 - In Conjunction with the Global Business Council, GBC 2012 Spring Conference, Scottsdale/Fountain Hills, AZ, United States, 3/5/12 - 3/8/12. https://doi.org/10.4071/2012dpc-wp34

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Simulating atomic-scale defects with atomic methods and extended finite elements

Abstract

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ASJC Scopus subject areas

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