Modeling solid-solid phase transformations: from single crystal to polycrystal behavior
AUTOR(ES)
Albers, R.C., Ahluwalia, R., Lookman, T., Saxena, A.
FONTE
Computational & Applied Mathematics
DATA DE PUBLICAÇÃO
2004-12
RESUMO
We introduce a framework for modeling elastic properties of shape memory alloy polycrystals by coupling orientational degrees of freedom with elastic strains. Our method allows us to span the length scales from single crystal to that appropriate to obtain polycrystal properties. The single crystal free energy coefficients can be determined from microscopic calculations (such as electronic structure and molecular dynamics) and/or available experimental structural, phonon and thermodynamic data. We simulate the microstructure and determine the stress-strain response of the polycrystal and compare it with that of a single crystal. For FePd parameters we find that the recoverable strain for a polycrystal is ~ 40% of that for a single crystal. The polycrystal information can, in principle, serve as input to the engineering scale of calculation, where the finite element method is appropriate.
Documentos Relacionados
- SOLID-SOLID INTERACTIONS STUDY OF MOO3 AND ALUMINAS AND OF WO3 AND ZRO2
- Analysis of single nucleotide polymorphisms with solid phase invasive cleavage reactions
- Mechanical behavior of yttria-stabilized tetragonal zirconia polycrystal: Effects of different aging regimens
- Genetic Bit Analysis: a solid phase method for typing single nucleotide polymorphisms.
- Solid phase synthesis of oligodeoxyribonucleoside phosphorodithioates from thiophosphoramidites.