Characterization and visualization of grain boundary disconnections
Source abstract
Abstract
We introduce a method to visualize dislocations along grain boundaries at the atomic level. It uses an atomic-level Nye tensor, representing the dislocation density. To calculate the Nye tensor at grain boundaries, we extend the Hartley-Mishin strain gradient calculation to the displacement shift complete lattice. We show that the method is effective in visualizing disconnections and the dislocation content of grain boundary phase junctions in body-centered cubic tungsten, as well as face-centered cubic copper. In addition, we use the method to characterize the morphology of a two-dimensional grain boundary phase nucleus in a symmetric tilt grain boundary in tungsten. This method can be applied to both bulk dislocations and grain boundary disconnections, which makes it ideal for studying the interactions and reactions of bulk dislocations with grain boundaries, and grain boundary disconnections.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Microstructure and mechanical properties · Fusion materials and technologies · High Temperature Alloys and Creep
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References (33)
Show source-provided references
1. Quantitative observation of misfit dislocation arrays in low and high angle twist grain boundaries10.1080/14786437008238400 ↗
2. Dislocations, steps and disconnections at interfaces10.1016/0022-3697(94)90118-X ↗
3. On grain boundary dislocations and ledges10.1016/0001-6160(73)90150-8 ↗
4. Secondary grain boundary dislocations in [001] twist boundaries in MgO I. Intrinsic structures10.1080/01418618208236206 ↗
5. Grain boundary kinetics-I. In situ observations of coupled grain boundary dislocation motion, crystal translation and boundary displacement10.1016/0001-6160(89)90033-3 ↗
6. Grain boundary kinetics-II. In situ observations of the role of grain boundary dislocations in high-angle boundary migration10.1016/0001-6160(89)90034-5 ↗
7. Steps, dislocations and disconnections as interface defects relating to structure and phase transformations10.1016/S1359-6454(96)00132-2 ↗
8. Grain-boundary kinetics: a unified approach10.1016/j.pmatsci.2018.05.004 ↗
9. The grain boundary mobility tensor10.1073/pnas.1920504117 ↗
10. On the temperature dependence of grain boundary mobility10.1016/j.actamat.2020.04.057 ↗
11. Disconnection description of triple-junction motion10.1073/pnas.1820789116 ↗
12. Nucleation of grain boundary phases10.1103/PhysRevLett.128.035701 ↗
13. Grain-boundary topological phase transitions10.1073/pnas.2017390117 ↗
14. Probing the limits of metal plasticity with molecular dynamics simulations10.1038/nature23472 ↗
15. In situ x-ray diffraction measurement of shock-wave-driven twinning and lattice dynamics10.1038/nature24061 ↗
16. Atomistic insights into metal hardening10.1038/s41563-020-00815-1 ↗
17. Extracting dislocations and non-dislocation crystal defects from atomistic simulation data10.1088/0965-0393/18/8/085001 ↗
18. Automated identification and indexing of dislocations in crystal interfaces10.1088/0965-0393/20/8/085007 ↗
19. Some geometrical relations in dislocated crystals10.1016/0001-6160(53)90054-6 ↗
20. Characterization and visualization of the lattice misfit associated with dislocation cores10.1016/j.actamat.2004.11.027 ↗
21. Representation of dislocation cores using Nye tensor distributions10.1016/j.msea.2005.03.076 ↗
22. Hirth · 1982 · 117
23. A reciprocity relation between the coincidence site lattice and the DSC lattice10.1016/0036-9748(74)90334-2 ↗
24. Dynamics of viscoplastic deformation in amorphous solids10.1103/PhysRevE.57.7192 ↗
25. On the elastic–plastic decomposition of crystal deformation at the atomic scale10.1088/0965-0393/20/3/035012 ↗
26. Robust structural identification via polyhedral template matching10.1088/0965-0393/24/5/055007 ↗
27. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales10.1016/j.cpc.2021.108171 ↗
28. Atomic scale structure of sputtered metal multilayers10.1016/S1359-6454(01)00287-7 ↗
29. Structural stability and lattice defects in copper: ab initio, tight-binding, and embedded-atom calculations10.1103/PhysRevB.63.224106 ↗
30. Structural phase transformations in metallic grain boundaries10.1038/ncomms2919 ↗
31. Dislocation content of grain boundary phase junctions and its relation to grain boundary excess properties10.1103/PhysRevB.103.184108 ↗
32. J. Han, D.J. Srolovitz, M. Salvalaglio, Disconnection-mediated migration of interfaces in microstructures: I. continuum model, 2021, arXiv:2103.09688.10.1016/j.actamat.2021.117178 ↗
33. High-rate plastic deformation of nanocrystalline tantalum to large strains: molecular dynamics simulation