journal article·2022-01

Dislocation interactions at the grain boundary in FCC bicrystals: An atomistically-informed dislocation dynamics study

Nicole K. Aragon, Jamie D. Gravell, Ill Ryu

Acta Materialia· Volume 223
Publisher page

Abstract

Abstract To understand the underlying mechanisms that control the mechanical properties of nanostructured metals, an insight into the role of the grain boundary in dislocation-driven plastic deformation is vital. The grain boundary has been observed as a dislocation source, sink, or having no effect, which in turn, gives rise to different macroscopic mechanical responses. With this motivation, atomistic simulations and three-dimensional dislocation dynamics simulations were performed to investigate dislocation interactions at various grain boundaries and their role in the plastic deformation of face-centered cubic (FCC) bicrystalline micropillars. The atomistically-informed dislocation dynamics simulations show that bicrystalline samples containing a high angle grain boundary (HAGB) display hardening and higher flow stresses compared to single crystals, while micropillars with a coherent twin boundary (CTB) show similar flow stresses to the reference single crystalline samples. This is due to the transparency of the grain boundary to slip transmission, which is observed in the atomistic simulations. Interestingly, allowing dislocation glide on the grain boundary exhibits a decrease in flow stress as slip transmission becomes easier.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Microstructure and mechanical properties · Aluminum Alloys Composites Properties · Metal and Thin Film Mechanics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (100+)

Show source-provided references
1. The deformation and ageing of mild steel: II Characteristics of the Lüders deformation10.1088/0370-1301/64/9/302 ↗
2. The cleavage strength of polycrystals
3. Microsample tensile testing of nanocrystalline metals10.1080/01418610008212096 ↗
4. Mechanical behavior of nanocrystalline copper10.1016/j.msea.2006.07.165 ↗
5. Ductility in nanostructured and ultra fine-grained materials: recent evidence for optimism
6. Mechanical behavior of nanocrystalline metals and alloys10.1016/j.actamat.2003.08.032 ↗
7. High tensile ductility in a nanostructured metal10.1038/nature01133 ↗
8. Mechanical properties of nanocrystalline materials10.1016/j.pmatsci.2005.08.003 ↗
9. Deformation mechanisms in nanotwinned metal nanopillars10.1038/nnano.2012.116 ↗
10. Strength, strain-rate sensitivity and ductility of copper with nanoscale twins10.1016/j.actamat.2006.06.062 ↗
11. Revealing the maximum strength in nanotwinned copper10.1126/science.1167641 ↗
12. Mechanical deformation of high-purity sputter-deposited nano-twinned copper10.1016/j.scriptamat.2008.02.048 ↗
13. Energy of slip transmission and nucleation at grain boundaries10.1016/j.actamat.2010.09.032 ↗
14. Dislocation nucleation in Σ3 asymmetric tilt grain boundaries10.1016/j.ijplas.2007.02.010 ↗
15. Dislocation nucleation from bicrystal interfaces and grain boundary ledges: relationship to nanocrystalline deformation10.1016/j.jmps.2007.04.001 ↗
16. Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum10.1016/j.actamat.2005.04.012 ↗
17. Dislocation nucleation from bicrystal interfaces with dissociated structure10.1016/j.ijplas.2006.03.008 ↗
18. Internal and external stresses: in situ TEM compression of Cu bicrystals containing a twin boundary10.1016/j.scriptamat.2014.12.023 ↗
19. The mechanical behavior and deformation of bicrystalline nanowires10.1088/0965-0393/21/1/015004 ↗
20. Size effects in Al nanopillars: single crystalline vs. bicrystalline10.1016/j.actamat.2011.03.065 ↗
21. Insights on slip transmission at grain boundaries from atomistic simulations10.1016/j.cossms.2014.04.001 ↗
22. Modelling grain-boundary resistance in intergranular dislocation slip transmission10.1080/01418610208240050 ↗
23. Differences in deformation behavior of bicrystalline Cu micropillars containing a twin boundary or a large-angle grain boundary10.1016/j.actamat.2014.04.022 ↗
24. An insight into the role of the grain boundary in plastic deformation by means of a bicrystalline pillar compression test and atomistic simulation10.1016/j.actamat.2013.08.056 ↗
25. Microscopic incompatibility controlling plastic deformation of bicrystals10.1016/j.actamat.2016.01.006 ↗
26. Orientation gradients at boundaries in micron-sized bicrystals10.1002/adem.201100242 ↗
27. Size effect in bi-crystalline micropillars with a penetrable high angle grain boundary10.1016/j.actamat.2017.03.003 ↗
28. Dislocation-twin boundary interaction in small scale Cu bi-crystals loaded in different crystallographic directions10.1016/j.actamat.2017.02.067 ↗
29. Grain boundary energy anisotropy: a review10.1007/s10853-011-5677-3 ↗
30. Grain boundary engineering: historical perspective and future prospects10.1007/s10853-011-5393-z ↗
31. Role of Zr in strengthening MoSi2 from density functional theory calculations10.1016/j.actamat.2017.12.017 ↗
32. Ab Initio predictions of strong interfaces in transition-metal carbides and nitrides for superhard nanocomposite coating applications10.1021/acsanm.8b00227 ↗
33. Effects of grain boundary- and triple junction-character on intergranular fatigue crack nucleation in polycrystalline aluminum10.1007/s10853-007-2236-z ↗
34. Grain-boundary chemistry and intergranular fracture in austenitic nickel-base alloys-a review10.5006/1.3585110 ↗
35. Control of brittleness and development of desirable mechanical properties in polycrystalline systems by grain boundary engineering10.1016/S1359-6454(99)00275-X ↗
36. Deformation of micron-sized aluminium bi-crystal pillars10.1080/14786430903164614 ↗
37. Modeling of dislocation-grain boundary interactions in FCC metals10.1016/j.jnucmat.2003.08.008 ↗
38. Prediction of slip transfer mechanisms across grain boundaries10.1016/0036-9748(89)90534-6 ↗
39. Multiscale modelling of dislocation/grain-boundary interactions: I. Edge dislocations impinging on Σ11 (1 1 3) tilt boundary in Al
40. Multiscale modelling of dislocation/grain boundary interactions. II. Screw dislocations impinging on tilt boundaries in Al10.1080/14786430701297590 ↗
41. Multiscale modeling of dislocation/grain-boundary interactions: III. 60° dislocations impinging on Σ3, Σ9 and Σ11 tilt boundaries in Al10.1088/0965-0393/19/5/055002 ↗
42. The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals10.1016/j.scriptamat.2005.11.072 ↗
43. Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals10.1016/j.actamat.2007.11.020 ↗
44. Discrete dislocation analysis of size effects in thin films10.1063/1.1566471 ↗
45. Discrete dislocation simulation of plastic deformation in metal thin films10.1016/j.actamat.2003.10.022 ↗
46. Discrete dislocation dynamics simulations to interpret plasticity size and surface effects in freestanding FCC thin films10.1016/j.ijplas.2006.01.007 ↗
47. An interpretation of size-scale plasticity in geometrically confined systems10.1073/pnas.0508572102 ↗
48. Effects of the grain size and shape on the flow stress: a dislocation dynamics study10.1016/j.ijplas.2018.09.008 ↗
49. On the origin of the Hall-Petch law: a 3D-dislocation dynamics simulation investigation10.1016/j.actamat.2021.116783 ↗
50. Grain size strengthening in microcrystalline copper: a three-dimensional dislocation dynamics simulation10.4028/www.scientific.net/KEM.423.25 ↗
51. Simulation of the Hall-Petch effect in ultra-fine grained copper10.1016/j.msea.2005.02.067 ↗
52. Trapping and escape of dislocations in micro-crystals with external and internal barriers10.1016/j.ijplas.2010.06.006 ↗
53. Dislocation dynamics simulations of plasticity in polycrystalline thin films10.1016/j.ijplas.2011.10.001 ↗
54. Polycrystal deformation in a discrete dislocation dynamics framework10.1016/j.actamat.2014.04.063 ↗
55. The inverse Hall-Petch relation in nanocrystalline metals: a discrete dislocation dynamics analysis10.1016/j.jmps.2015.12.012 ↗
56. Orientation influence on grain size effects in ultrafine-grained magnesium10.1016/j.scriptamat.2014.10.031 ↗
57. The role of twinning deformation on the hardening response of polycrystalline magnesium from discrete dislocation dynamics simulations10.1016/j.actamat.2015.03.039 ↗
58. Dislocation dynamics in polycrystalline materials
59. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
60. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations10.1103/PhysRevB.59.3393 ↗
61. Plasticity-induced restructuring of a nanocrystalline grain boundary network10.1016/j.actamat.2016.08.040 ↗
62. Survey of computed grain boundary properties in face-centered cubic metals : I . Grain boundary energy10.1016/j.actamat.2009.04.007 ↗
63. Survey of computed grain boundary properties in face-centered cubic metals - II : grain boundary mobility10.1016/j.actamat.2009.04.015 ↗
64. 〈110〉 Symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies10.1103/PhysRevB.54.6999 ↗
65. Structures and energies of ∑3 asymmetric tilt grain boundaries in copper and aluminium10.1080/14786430701255895 ↗
66. Structural unit and faceting description of ∑3 asymmetric tilt grain boundaries10.1007/s10853-007-1626-6 ↗
67. A continuously growing web-based interface structure databank10.1088/0965-0393/20/5/055002 ↗
68. A simple faceting model for the interfacial and cleavage energies of Σ3 grain boundaries in the complete boundary plane orientation space10.1016/j.commatsci.2015.09.062 ↗
69. Symmetric and asymmetric tilt grain boundary structure and energy in Cu and Al (and transferability to other fcc metals)
70. Analyses of tensile deformation of nanocrystalline α-Fe2O3+fcc-Al composites using molecular dynamics simulations10.1016/j.jmps.2006.10.005 ↗
71. Enabling strain hardening simulations with dislocation dynamics10.1088/0965-0393/15/6/001 ↗
72. Mobility laws in dislocation dynamics simulations10.1016/j.msea.2003.12.085 ↗
73. Computing image stress in an elastic cylinder10.1016/j.jmps.2007.03.007 ↗
74. Frontiers in the simulation of dislocations10.1146/annurev-matsci-091819-015500 ↗
75. Toward a further understanding of intermittent plastic responses in the compressed single/bicrystalline micropillars10.1016/j.scriptamat.2012.02.023 ↗
76. Dislocation dynamics simulations of the Bauschinger effect in metallic thin films10.1016/j.commatsci.2011.09.031 ↗
77. Grain size effects on dislocation and twinning mediated plasticity in magnesium10.1016/j.scriptamat.2015.09.008 ↗
78. Effects of twin boundary orientation on plasticity of bicrystalline copper micropillars: a discrete dislocation dynamics simulation study10.1016/j.actamat.2019.07.007 ↗
79. Dislocation–grain boundary interaction-based discrete dislocation dynamics modeling and its application to bicrystals with different misorientations10.1016/j.actamat.2020.10.052 ↗
80. Anisotropic size-dependent plasticity in face-centered cubic micropillars under torsion10.1007/s11837-015-1692-1 ↗
81. The role of the weakest-link mechanism in controlling the plasticity of micropillars10.1016/j.jmps.2008.10.004 ↗
82. Athermal mechanisms of size-dependent crystal flow gleaned from three-dimensional discrete dislocation simulations10.1016/j.actamat.2008.03.011 ↗
83. Stochastic behaviors in plastic deformation of face-centered cubic micropillars governed by surface nucleation and truncated source operation10.1016/j.actamat.2015.05.032 ↗
84. On the absorption of dislocations by grain boundaries10.1080/14786437708244939 ↗
85. Dislocation and grain boundary interactions in metals10.1016/0001-6160(88)90058-2 ↗
86. The Influence of grain boundaries on mechanical properties10.1007/BF02661312 ↗
87. Mobility of dislocations in grain boundaries
88. Atomistic simulations of dislocation pileup: grain boundaries interaction10.1007/s11837-015-1454-0 ↗
89. A review on atomistic simulation of grain boundary behaviors in face-centered cubic metals10.1016/j.commatsci.2016.03.021 ↗
90. Dislocation dynamics in hexagonal close-packed crystals10.1016/j.jmps.2016.04.019 ↗
91. Multiple slip in bicrystal deformation10.1016/0001-6160(57)90044-5 ↗
92. Dislocation pile-up and grain boundary interactions in 204 stainless steel10.1016/0036-9748(86)90467-9 ↗
93. Compatibility of deformation in two-phase Ti-Al alloys: dependence on microstructure and orientation relationships10.1007/BF02670762 ↗
94. Grain boundaries and interfaces in slip transfer10.1016/j.cossms.2014.05.003 ↗
95. Differences in deformation behavior of bicrystalline Cu micropillars containing a twin boundary or a large-angle grain boundary10.1016/j.actamat.2014.04.022 ↗
96. Size effect in bi-crystalline micropillars with a penetrable high angle grain boundary10.1016/j.actamat.2017.03.003 ↗
97. Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces10.1016/j.actamat.2006.08.060 ↗
98. Entropic effect on the rate of dislocation nucleation10.1073/pnas.1017171108 ↗
99. Predicting the dislocation nucleation rate as a function of temperature and stress10.1557/jmr.2011.275 ↗
100. Atomistic modeling of grain boundaries and dislocation processes in metallic polycrystalline materials10.1115/1.3183776 ↗