Modeling dislocation density evolution in continuum crystal plasticity

Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2001.Includes bibliographical references (p. 221-229).Dislocations are the singly most important material defects in crystal plasticity, and although dislocation mechanics has long been understood as the underlying physical basis for continuum crystal plasticity formulations, explicit consideration of crystallo- graphic dislocation mechanics has been largely absent in working constitutive models. In light of recent theoretical developments in dislocation dynamics, and the introduc- tion of geometrically necessary dislocation (GND) density in continuum formulations through plastic strain gradients, a single crystal plasticity model based on dislocation density state variables is developed. The density state variables evolve from initial conditions according to equations based on fundamental concepts in dislocation me- chanics such as the conservation of Burgers vector in multiplication and annihilation processes. Along with those processes that account for bulk statistical dislocation evolution, the evolving polarity due to dislocation species flux divergences may be in- cluded to detail the length-scale dependence of mechanical properties on the micron level. The full dislocation density description of plasticity allows a simple evaluation of the role of GND density in non-homogeneously deforming bodies. A local version of the constitutive model, which captures the bulk processes of dislocation multiplication and annihilation during plastic deformation, is implemented within a finite element framework to investigate the poly-slip behavior of aluminum single crystals under tension.(cont.) A non-local version of the constitutive model using an idealized planar double slip system geometry is implemented within a finite element framework to investigate the length-scale dependence observed in the bending of thin single crystal beams. The results not only capture the mechanical stress/strain response of the material, but also detail the development of underlying dislocation structure responsible_ fr: the plistic behavior of the crystal.by Athanasios Arsenlis.Ph.D

Enabling Strain Hardening Simulations with Dislocation Dynamics

Numerical algorithms for discrete dislocation dynamics simulations are investigated for the purpose of enabling strain hardening simulations of single crystals on massively parallel computers. The algorithms investigated include the /(N) calculation of forces, the equations of motion, time integration, adaptive mesh refinement, the treatment of dislocation core reactions, and the dynamic distribution of work on parallel computers. A simulation integrating all of these algorithmic elements using the Parallel Dislocation Simulator (ParaDiS) code is performed to understand their behavior in concert, and evaluate the overall numerical performance of dislocation dynamics simulations and their ability to accumulate percents of plastic strain

ParaDiS on Blue Gene/L: stepping up to the challenge

This paper reports on the efforts to enable fully scalable simulations of Dislocation Line Dynamics (DLD) for direct calculations of strength of crystalline materials. DLD simulations are challenging and do not lend themselves naturally to parallel computing. Through a combinations of novel physical approaches, mathematical algorithms and computational science developments, a new DLD code ParaDiS is shown to take meaningful advantage of BG/L and, by doing so, to enable discovery class science by computation

Dislocation multi-junctions and strain hardening

At the microscopic scale, the strength of a crystal derives from the motion, multiplication and interaction of distinctive line defects--dislocations. First theorized in 1934 to explain low magnitudes of crystal strength observed experimentally, the existence of dislocations was confirmed only two decades later. Much of the research in dislocation physics has since focused on dislocation interactions and their role in strain hardening: a common phenomenon in which continued deformation increases a crystal's strength. The existing theory relates strain hardening to pair-wise dislocation reactions in which two intersecting dislocations form junctions tying dislocations together. Here we report that interactions among three dislocations result in the formation of unusual elements of dislocation network topology, termed hereafter multi-junctions. The existence of multi-junctions is first predicted by Dislocation Dynamics (DD) and atomistic simulations and then confirmed by the transmission electron microscopy (TEM) experiments in single crystal molybdenum. In large-scale Dislocation Dynamics simulations, multi-junctions present very strong, nearly indestructible, obstacles to dislocation motion and furnish new sources for dislocation multiplication thereby playing an essential role in the evolution of dislocation microstructure and strength of deforming crystals. Simulation analyses conclude that multi-junctions are responsible for the strong orientation dependence of strain hardening in BCC crystals

Uncertainties in Predictions of Material Performance Using Experimental Data That Is Only Distantly Related to the System of Interest

Part 5: Hot TopicsInternational audienceThere is a need for predictive material “aging” models in the nuclear energy industry, where applications include life extension of existing reactors, the development of high burnup fuels, and dry cask storage of used nuclear fuel. These problems require extrapolating from the validation domain, where there is available experimental data, to the application domain, where there is little or no experimental data. The need for predictive material aging models will drive the need for associated assessments of the uncertainties in the predictions. Methods to quantify uncertainties in model predictions, using experimental data that is only distantly related to the application domain, are discussed in this paper

An Approach for Estimating the Uncertainty in ParaDiS Predictions, 2012, October

This report talks about An Approach for Estimating the Uncertainty in ParaDiS Prediction

Characterization of pancreatic transcription factor Pdx-1 binding sites using promoter microarray and serial analysis of chromatin occupancy

The homeobox transcription factor Pdx-1 is necessary for pancreas organogenesis and beta cell function, however, most Pdx-1-regulated genes are unknown. To further the understanding of Pdx-1 in beta cell biology, we have characterized its genomic targets in NIT-1 cells, a mouse insulinoma cell line. To identify novel targets, we developed a microarray that includes traditional promoters as well as non-coding conserved elements, micro-RNAs, and elements identified through an unbiased approach termed serial analysis of chromatin occupancy. In total, 583 new Pdx-1 target genes were identified, many of which contribute to energy sensing and insulin release in pancreatic beta cells. By analyzing 31 of the protein-coding Pdx-1 target genes, we show that 29 are expressed in beta cells and, of these, 68% are down- or up-regulated in cells expressing a dominant negative mutant of Pdx-1. We additionally show that many Pdx-1 targets also interact with NeuroD1/BETA2, including the micro-RNA miR-375, a known regulator of insulin secretion