Computational methods for coupling microstructural and micromechanical materials response simulations

Technical Report · 01 April 2000

DOI:https://doi.org/10.2172/755095· OSTI ID:755095

HOLM, ELIZABETH A ^[1]; BATTAILE, CORBETT C; BUCHHEIT, THOMAS E; FANG, HUEI ELIOT; RINTOUL, MARK DANIEL; VEDULA, VENKATA R; GLASS, S JILL; KNOROVSKY, GERALD A; NEILSEN, MICHAEL K; WELLMAN, GERALD W; SULSKY, DEBORAH; SHEN, YU-LIN; SCHREYER, H BUCK

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1. Sandia National Laboratories

Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.

• Research Organization: Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 755095
• Report Number(s): SAND2000-1015
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
99 GENERAL AND MISCELLANEOUS
ALUMINIUM OXIDES
COMPUTER CODES
COPPER ALLOYS
CRACK PROPAGATION
MECHANICAL PROPERTIES
MICROSTRUCTURE
PARALLEL PROCESSING
SILICON ALLOYS