Coffman, V.
and Sethna, J.
(2010),
Challenges in Continuum Modeling of Intergranular Fracture, Strain, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=903627
(Accessed October 12, 2024)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Challenges in Continuum Modeling of Intergranular Fracture
Published
Author(s)
, James P. Sethna
Abstract
Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in understanding intergranular fracture in polycrystals. First, 3D grain boundary geometries comprise a five dimensional space. Second, the energy and peak stress of grain boundaries have singularities for all commensurate grain boundaries, especially those with short repeat distances. Thirdly, fracture nucleation and growth depends not only upon the properties of grain boundaries, but in crucial ways on edges, corners, and triple junctions of even greater geometrical complexity. To address the first two challenges, we explore the physical underpinnings for creating functional forms to capture the heirarchical commensurability structure in the grain boundary properties. To address the last challenge, we demonstrate a method for atomistically extracting the fracture properties of geometrically complex local regions on the fly from within a finite element simulation.Citation
Strain
Pub Type
Journals
Download Paper
Keywords
finite elements, grain boundaries, molecular dynamics, multiscale modeling
Citation
Issues
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created February 11, 2010, Updated February 19, 2017