Nanoscale phase field microelasticity theory of dislocations: model and 3D simulations

• Published in: Acta materialia Vol. 49; no. 10; pp. 1847 - 1857
• Main Authors: Wang, Y.U., Jin, Y.M., Cuitiño, A.M., Khachaturyan, A.G.
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 13.06.2001; Elsevier Science
• Subjects: Applied sciences; Computer simulation; Cross-disciplinary physics: materials science; rheology; Dislocations (theory); Exact sciences and technology; Materials science; Metals. Metallurgy; Nanoscale materials and structures: fabrication and characterization; Phase transformations (martensite/shear); Physics; Theory & modeling (structural behavior); Dislocations (theory); Theory & modeling (structural behavior); Phase transformations (martensite/shear); Computer simulation; Three dimensional model; Shear; Phase transformations; Martensitic transformations; Elasticity; Theoretical study; Modelling; Computerized simulation; Nanostructured materials; Dislocations
• ISSN: 1359-6454; 1873-2453
• DOI: 10.1016/S1359-6454(01)00075-1

The first Phase Field model of evolution of a multi-dislocation system in elastically anisotropic crystal under applied stress is formulated. The model is a modification and extension of our Phase Field Microelasticity approach to the theory of coherent phase transformations. The long-range strain-induced interaction of individual dislocations is calculated exactly and is explicitly incorporated in the Phase Field formalism. It also automatically takes into account the effects of “short-range interactions”, such as multiplication and annihilation of dislocations and a formation of various metastable microstructures involving dislocations and defects. The proposed 3-dimensional Phase Field model of dislocations does not impose a priori constraints on possible dislocation structures or their evolution paths. Examples of simulation of the FCC 3D system under applied stress are considered.