scholarly journals Boundary conditions for dislocation dynamics simulations and stage 0 of BCC metals at low temperature

2001 ◽  
Vol 677 ◽  
Author(s):  
Meijie Tang ◽  
Ladislas P. Kubin

ABSTRACTIn order to study the dislocation density evolution of body centered cubic (bcc) crystals at low temperature by dislocation dynamics (DD) simulations, we investigated carefully three different boundary conditions (BC) for DD, i.e., the quasi-free surface BC, the flux-balanced BC, and the periodic BC. The latter two BCs can account for the dislocation loss from the boundary of the finite simulation box. PBC can also eliminate the influence of surfaces and improve the line connectivity. We have found that the PBC provides a convenient and effective boundary condition for DD simulations and have applied it to the study of dislocation density evolution of bcc metals during stage 0 deformation at low temperature.

2000 ◽  
Vol 653 ◽  
Author(s):  
Vasily V. Bulatov ◽  
Moon Rhee ◽  
Wei Cai

AbstractThis article presents an implementation of periodic boundary conditions (PBC) for Dislocation Dynamics (DD) simulations in three dimensions (3D). We discuss fundamental aspects of PBC development, including preservation of translational invariance and line connectivity, the choice of initial configurations compatible with PBC and a consistent treatment of image stress. On the practical side, our approach reduces to manageable proportions the computational burden of updating the long-range elastic interactions among dislocation segments. The timing data confirms feasibility and practicality of PBC for large-scale DD simulations in 3D.


MRS Advances ◽  
2016 ◽  
Vol 1 (24) ◽  
pp. 1791-1796 ◽  
Author(s):  
Alireza Ebrahimi ◽  
Thomas Hochrainer

ABSTRACTA persistent challenge in multi-scale modeling of materials is the prediction of plastic materials behavior based on the evolution of the dislocation state. An important step towards a dislocation based continuum description was recently achieved with the so called continuum dislocation dynamics (CDD). CDD captures the kinematics of moving curved dislocations in flux-type evolution equations for dislocation density variables, coupled to the stress field via average dislocation velocity-laws based on the Peach-Koehler force. The lowest order closure of CDD employs three internal variables per slip system, namely the total dislocation density, the classical dislocation density tensor and a so called curvature density.In the current work we present a three-dimensional implementation of the lowest order CDD theory as a materials sub-routine for Abaqus®in conjunction with the crystal plasticity framework DAMASK. We simulate bending of a micro-beam and qualitatively compare the plastic shear and the dislocation distribution on a given slip system to results from the literature. The CDD simulations reproduce a zone of reduced plastic shear close to the surfaces and dislocation pile-ups towards the center of the beam, which have been similarly observed in discrete dislocation simulations.


1966 ◽  
Vol 88 (2) ◽  
pp. 518-524 ◽  
Author(s):  
P. E. Bennett ◽  
G. M. Sinclair

In the low-temperature range, the engineering yield strength of polycrystalline bcc metals can change by a factor of 10 or more with serious consequences appearing in the form of catastrophic brittle fracture. Engineering variables known to have an important effect on the yield behavior are state of stress, temperature, loading or strain rate, composition, and microstructure. For iron, chromium, molybdenum, and tungsten, it is shown that yield behavior can be represented by a single-valued relation between two dimensionless parameters.


2012 ◽  
Vol 736 ◽  
pp. 13-20 ◽  
Author(s):  
Karri V. Mani Krishna ◽  
Prita Pant

Dislocation Dynamics (DD) simulations are used to study the evolution of a pre-specified dislocation structure under applied stresses and imposed boundary conditions. These simulations can handle realistic dislocation densities ranging from 1010 to 1014 m-2, and hence can be used to model plastic deformation and strain hardening in metals. In this paper we introduce the basic concepts of DD simulations and then present results from simulations in thin copper films and in bulk zirconium. In both cases, the effect of orientation on deformation behaviour is investigated. For the thin film simulations, rigid boundary conditions are used at film-substrate and film-passivation interfaces leading to dislocation accumulation, while periodic boundaries are used for bulk grains of Zr. We show that there is a clear correlation between strain hardening rate and the rate of increase of dislocation density.


2008 ◽  
Vol 56 (19) ◽  
pp. 5466-5476 ◽  
Author(s):  
Julien Chaussidon ◽  
Christian Robertson ◽  
David Rodney ◽  
Marc Fivel

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