Multiscale effects in crystal grain growth and physical properties of metals

A multiscale approach for the simulation of physical properties of metals is suggested and discussed. Grain growth in metals involves interactions at three distinct scale levels: the atomic scale (length of crystal lattice spacing), microscale (grain length) and macroscale. A simulation scheme shoul...

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Bibliographic Details
Published inPhysical chemistry chemical physics : PCCP Vol. 10; no. 34; pp. 5192 - 5195
Main Authors NOSONOVSKY, Michael, ESCHE, Sven K
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 01.01.2008
Subjects
Chemistry
Exact sciences and technology
General and physical chemistry
Crystal growth
Grain size
Monte Carlo method
Crystals
Theoretical study
Complexes
Physical properties
Continuum
Simulation
Dynamics
Recrystallization
Inverse
Models
Microstructure
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Summary:A multiscale approach for the simulation of physical properties of metals is suggested and discussed. Grain growth in metals involves interactions at three distinct scale levels: the atomic scale (length of crystal lattice spacing), microscale (grain length) and macroscale. A simulation scheme should include these three levels. The crystalline microstructure is simulated by the Monte Carlo method. The average grain radius is then used to determine the yield strength from the Hall-Petch relationship for large grains and the inverse Hall-Petch relationship for submicron-sized grains. The yield strength is then supplied to a continuum macroscale model. The normal grain growth, which has a theoretical solution for grain size as a function of time, is discussed in detail as a case study and conclusions are drawn with regard to more complex situations such as dynamic recrystallization.
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ISSN:1463-9076
1463-9084
DOI:10.1039/b806357e