Periodic boundary conditions for three dimensional dislocation dynamics

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The boundary conditions in three dimensional Dislocation Dynamics (DD) simulations have always been a matter of concern. Two types of boundary conditions, quasi-free-surface and reflection boundaries are currently being used by groups in Grenoble, France and Pullman, Washington. In this paper, we present a mathematical transformation that enables simulations of dislocation evolution processes in single crystals using periodic boundary conditions (PBCs). The idea is graphically demonstrated with transformation matrices given for BCC crystal systems. Extension to other crystal structures is also discussed. Comparing to the existing boundary conditions, the new approach (1) balances the dislocation flux in and out of ... continued below

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Huang, H., Diaz de la Rubia, T. January 1, 1997.

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  • Huang, H., Diaz de la Rubia, T. Materials Science and Technology Division, Chemistry and Materials Science Directorate, Lawrence Livermore National Lab., CA (United States)

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Description

The boundary conditions in three dimensional Dislocation Dynamics (DD) simulations have always been a matter of concern. Two types of boundary conditions, quasi-free-surface and reflection boundaries are currently being used by groups in Grenoble, France and Pullman, Washington. In this paper, we present a mathematical transformation that enables simulations of dislocation evolution processes in single crystals using periodic boundary conditions (PBCs). The idea is graphically demonstrated with transformation matrices given for BCC crystal systems. Extension to other crystal structures is also discussed. Comparing to the existing boundary conditions, the new approach (1) balances the dislocation flux in and out of a computational cell; and (2) does not require artificial termination of dislocations in the bulk. 3 refs., 2 figs., 1 tab.

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Medium: P; Size: 12 p.; Other: FDE: PDF; PL:

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OSTI as DE98051040

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  • Other Information: PBD: Jan 1997

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  • Other: DE98051040
  • Report No.: UCRL-ID--126219
  • Grant Number: W-7405-ENG-48
  • DOI: 10.2172/562075 | External Link
  • Office of Scientific & Technical Information Report Number: 562075
  • Archival Resource Key: ark:/67531/metadc697522

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  • January 1, 1997

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  • Aug. 14, 2015, 8:43 a.m.

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  • Feb. 17, 2016, 3:19 p.m.

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Huang, H., Diaz de la Rubia, T. Periodic boundary conditions for three dimensional dislocation dynamics, report, January 1, 1997; California. (digital.library.unt.edu/ark:/67531/metadc697522/: accessed November 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.