Artículo
Fracture resistance of textured polycrystalline Zr: A simulation study
Fecha de publicación:
05/2019
Editorial:
Elsevier
Revista:
Computational Materials Science
ISSN:
0927-0256
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
We report the results of large-scale molecular dynamics atomistic simulations of crack propagation in of α-Zirconium. The samples studied are polycrystalline columnar grains of 11–38 nm average diameter, and different textures. The focus is on deformation mechanisms in the crack tip region and the influence of texture, grain size and temperature on the fracture propagation. We found that the [1–100] texture is the most brittle with deformation at the crack tip occurring only through twinning with almost no dislocation activity. The more ductile textures are those where dislocation mechanisms are activated. For the basal orientation we observed dislocations while dislocations are dominant for the [11–20] texture. One important observation is that crack propagation can be hindered by the presence of the grain boundaries. As a result, samples with the smallest grain sizes are the more resistant to crack propagation. As expected, higher temperatures imply easier deformation, resulting in more ductile behavior for all orientations. At room temperature and higher, crack propagation occurs mostly intra granularly. However, at 77 K the [1–100] textured sample shows crack propagation through the nucleation of micro-voids ahead of the main crack.
Palabras clave:
FRACTURE
,
MOLECULAR DYNAMICS SIMULATION
,
NANO-CRYSTALLINE ZR
Archivos asociados
Licencia
Identificadores
Colecciones
Articulos(CCT - PATAGONIA NORTE)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA NORTE
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - PATAGONIA NORTE
Citación
Bertolino, Graciela Mabel; Ruda, Margarita María; Farkas, Diana; Fracture resistance of textured polycrystalline Zr: A simulation study; Elsevier; Computational Materials Science; 162; 5-2019; 304-313
Compartir
Altmétricas