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国际多尺度计算工程期刊
影响因子: 1.016 5年影响因子: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN 打印: 1543-1649
ISSN 在线: 1940-4352

国际多尺度计算工程期刊

DOI: 10.1615/IntJMultCompEng.v9.i4.90
pages 481-501

COUPLED COHESIVE ZONE REPRESENTATIONS FROM 3D QUASICONTINUUM SIMULATION ON BRITTLE GRAIN BOUNDARIES

Torsten Luther
Institute of Structural Mechanics, Bauhaus University Weimar , Germany
Carsten Konke
Bauhaus-Universität Weimar, Institute of Structural Mechanics, Germany

ABSTRACT

This paper contributes to a hierarchical multiscale concept for the simulation of brittle intergranular fracture in polycrystalline materials, for example, aluminum. Intended is the numerical investigation of physical fracture phenomena on an atomistic microscale and the integration of resulting parameters into damage models on the engineering continuum scale. A procedure for computational intergranular fracture analysis on the atomistic scale is presented, and the transition to coupled cohesive zone representations of continuum models is explained. The brittle intergranular fracture process on the atomistic scale is investigated in three dimensions, applying a parallelized nonlocal quasicontinuum method, which was implemented for the robust and efficient analysis of grain boundary fracture in polycrystalline metals with arbitrary misorientation. The nonlocal quasicontinuum method fully describes the material behavior by atomistic potential functions but reduces the number of atomic degrees of freedom by introducing kinematic couplings in regions of a smooth deformation field. Interface separation laws are obtained from tensile and shear simulations on the atomistic scale, and extracted cohesive parameters are used for parameterization of traction separation laws, which are part of coupled cohesive zone models, to simulate the brittle interface decohesion in heterogeneous polycrystal structures.

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