Atomistically-informed Dislocation Dynamics in fcc Crystals

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We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between ... continued below

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Martinez, E; Marian, J; Arsenlis, T; Victoria, M & Perlado, J M September 6, 2006.

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We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently with core parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fcc metals.

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PDF-file: 44 pages; size: 0.7 Mbytes

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  • Journal Name: Journal of the Mechanics and Physics of Solids, vol. 56, N/A, April 23, 2008, pp. 869-895; Journal Volume: 56

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  • Report No.: UCRL-JRNL-224304
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 936709
  • Archival Resource Key: ark:/67531/metadc894561

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Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • September 6, 2006

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  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 9, 2016, 3:28 p.m.

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Martinez, E; Marian, J; Arsenlis, T; Victoria, M & Perlado, J M. Atomistically-informed Dislocation Dynamics in fcc Crystals, article, September 6, 2006; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc894561/: accessed October 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.