A novel dislocation-density-based crystal plasticity model for nanocrystalline face-centered cubic metals is developed based on the thermally-activated mechanism of dislocations depinning from grain boundaries. Dislocations nucleated from grain boundary dislocation sources are assumed to be the primary carriers of plasticity in the nanocrystals. The evolution of the dislocation density thereby involves a competition between the nucleation of dislocations from grain boundary defect structures, such as ledges, and the absorption of dislocations into the grain boundary via diffusion processes. This model facilitates the simulation of plastic deformation in nanocrystalline metals, with consideration of the initial microstructure resulting from a particular processing method, to be computed as a direct result of dislocation-mediated plasticity only. The exclusion of grain boundary-mediated plasticity mechanisms in the formulation of the crystal plasticity model allows for the exploration of the fundamental role dislocations play in nanocrystalline plasticity. The combined effect of average grain size, grain size distribution shape, and initial dislocation density on the mechanical performance and strain-rate sensitivity are explored with the model. Further, the influence of the grain boundary diffusivity on post-yielding strain-hardening behavior is investigated to discern the impact that the choice of processing route has on the resulting deformation response of the material.
more »
« less
Large plasticity in magnesium mediated by pyramidal dislocations
Lightweight magnesium alloys are attractive as structural materials for improving energy efficiency in applications such as weight reduction of transportation vehicles. One major obstacle for widespread applications is the limited ductility of magnesium, which has been attributed to 〈 c + a 〉 dislocations failing to accommodate plastic strain. We demonstrate, using in situ transmission electron microscope mechanical testing, that 〈 c + a 〉 dislocations of various characters can accommodate considerable plasticity through gliding on pyramidal planes. We found that submicrometer-size magnesium samples exhibit high plasticity that is far greater than for their bulk counterparts. Small crystal size usually brings high stress, which in turn activates more 〈 c + a 〉 dislocations in magnesium to accommodate plasticity, leading to both high strength and good plasticity.
more »
« less
- Award ID(s):
- 1635088
- PAR ID:
- 10107134
- Date Published:
- Journal Name:
- Science
- Volume:
- 365
- Issue:
- 6448
- ISSN:
- 0036-8075
- Page Range / eLocation ID:
- 73 to 75
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloy’s behavior differed from that of comparable systems by having fracture toughness over 253 MPa·m1/2, which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip.more » « less
-
A method for solving three dimensional discrete dislocation plasticity boundary-value problems using a monopole representation of the dislocations is presented. At each time step, the displacement, strain and stress fields in a finite body are obtained by superposition of infinite body dislocation fields and an image field that enforces the boundary conditions. The three dimensional infinite body fields are obtained by representing dislocations as being comprised of points, termed monopoles, that carry dislocation line and Burgers vector information. The image fields are obtained from a three dimensional linear elastic finite element calculation. The implementation of the coupling of the monopole representation with the finite element method, including the interaction of curved dislocations with free surfaces, is presented in some detail because it differs significantly from an implementation with a line based dislocation representation. Numerical convergence and the modeling of dislocation loop nucleation for large scale computations are investigated. The monopole discrete dislocation plasticity framework is used to investigate the effect of size and initial dislocation density on the torsion of wires with diameters varying over three orders of magnitude. Depending on the initial dislocation source density and the wire diameter, three regimes of torsion–twist response are obtained: (i) for wires with a sufficiently small diameter, plastic deformation is nucleation controlled and is strongly size dependent; (ii) for wires with larger diameters dislocation plasticity is dislocation interaction controlled, with the emergence of geometrically necessary dislocations and dislocation pile-ups playing a key role, and is strongly size dependent; and (iii) for wires with sufficiently large diameters plastic deformation becomes less heterogeneous and the dependence on size is greatly diminished.more » « less
-
In this paper, we present concurrent atomistic-continuum (CAC) simulations of the hydrogen (H) diffusion along a grain boundary (GB), nearby which a large population of dislocations are piled up, in a plastically deformed bi-crystalline bcc iron sample. With the microscale dislocation slip and the atomic structure evolution at the GB being simultaneously retained, our main findings are: (i) the accumulation of tens of dislocations near the H-charged GB can induce a local internal stress as high as 3 GPa; (ii) the more dislocations piled up at the GB, the slower the H diffusion ahead of the slip–GB intersection; and (iii) H atoms diffuse fast behind the pileup tip, get trapped within the GB, and diffuse slowly ahead of the pileup tip. The CAC simulation-predicted local H diffusivity, Dpileup−tip, and local stresses, σ, are correlated with each other. We then consolidate such correlations into a mechanics model by considering the dislocation pileup as an Eshelby inclusion. These findings will provide researchers with opportunities to: (a) characterize the interplay between plasticity, H diffusion, and crack initiation underlying H-induced cracking (HIC); (b) develop mechanism-based constitutive rules to be used in diffusion–plasticity coupling models for understanding the interplay between mechanical and mass transport in materials at the continuum level; and (c) connect the atomistic deformation physics of polycrystalline materials with their performance in aqueous environments, which is currently difficult to achieve in experiments.more » « less
-
In this paper, in situ high-resolution electron backscattered diffraction (EBSD) is combined with concurrent atomistic-continuum (CAC) simulations to study the interactions between dislocation-mediated slip and grain boundaries (GBs) in Ni. It is found that the local stress associated with slip-GB intersections first increases upon the pileup of dislocations, then remains high even after the nucleation of dislocations in the neighboring grain, only relaxing after the nucleated dislocations propagate away from the GB due to more incoming dislocations participating in the pileup. The local stress relaxation is accompanied by an atomic-scale GB structure reconfiguration, which affects not only the subsequent dislocation transmission, but also the configuration of those dislocations away from the GB. These findings demonstrate the importance of incorporating local stress history at higher length scale models, such as crystal plasticity finite element.more » « less
An official website of the United States government

