Modeling solid-solid phase transformations: from single crystal to polycrystal behavior



Título del documento: Modeling solid-solid phase transformations: from single crystal to polycrystal behavior
Revista: Computational & applied mathematics
Base de datos: PERIÓDICA
Número de sistema: 000272542
ISSN: 1807-0302
Autores: 1


Instituciones: 1Los Alamos National Laboratory, Theoretical Division, Los Alamos, Nuevo México. Estados Unidos de América
Año:
Volumen: 23
Número: 2-3
Paginación: 345-361
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Aplicado, descriptivo
Resumen en inglés 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
Disciplinas: Ingeniería,
Matemáticas
Palabras clave: Ingeniería de materiales,
Matemáticas aplicadas,
Martensita,
Policristales,
Aleaciones de memoria de forma,
Teoría de Landau
Keyword: Engineering,
Mathematics,
Materials engineering,
Applied mathematics,
Martensite,
Polycrystals,
Shape memory alloys,
Landau theory
Texto completo: Texto completo (Ver HTML)