Atomistic to continuum modeling of solidification microstructures
Abstract
We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked to experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.
- Authors:
-
- Northeastern Univ., Boston, MA (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Northeastern Univ., Boston, MA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1906127
- Alternate Identifier(s):
- OSTI ID: 1221787; OSTI ID: 1253212
- Report Number(s):
- LA-UR-15-21683
Journal ID: ISSN 1359-0286
- Grant/Contract Number:
- FG02-07ER46400; AC52-06NA25396; DEFG02-07ER46400
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Current Opinion in Solid State and Materials Science
- Additional Journal Information:
- Journal Volume: 20; Journal Issue: 1; Journal ID: ISSN 1359-0286
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 97 MATHEMATICS AND COMPUTING; multiscale solidification modeling; atomistics; interface pattern; grain structure
Citation Formats
Karma, Alain, and Tourret, Damien. Atomistic to continuum modeling of solidification microstructures. United States: N. p., 2015.
Web. doi:10.1016/j.cossms.2015.09.001.
Karma, Alain, & Tourret, Damien. Atomistic to continuum modeling of solidification microstructures. United States. https://doi.org/10.1016/j.cossms.2015.09.001
Karma, Alain, and Tourret, Damien. Sat .
"Atomistic to continuum modeling of solidification microstructures". United States. https://doi.org/10.1016/j.cossms.2015.09.001. https://www.osti.gov/servlets/purl/1906127.
@article{osti_1906127,
title = {Atomistic to continuum modeling of solidification microstructures},
author = {Karma, Alain and Tourret, Damien},
abstractNote = {We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked to experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.},
doi = {10.1016/j.cossms.2015.09.001},
journal = {Current Opinion in Solid State and Materials Science},
number = 1,
volume = 20,
place = {United States},
year = {Sat Sep 26 00:00:00 EDT 2015},
month = {Sat Sep 26 00:00:00 EDT 2015}
}
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Works referencing / citing this record:
A Trial to Design γ/γ′ Bond Coat in Ni–Al–Cr Mode TBCs Aided by Phase-Field Simulation
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Multiscale prediction of microstructure length scales in metallic alloy casting
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Microstructure evolution under the space-time variational solidification conditions in a melt pool: A multi-scale simulation study
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