Phase-field model of deformation twin-grain boundary interactions in hexagonal systems
Source abstract
Abstract
Abstract A phase-field model for describing dynamic interactions between deformation twins and grain boundaries in a hexagonal close packed (HCP) metal is established. It is applied to simulating the coupled evolution mechanisms of grains and twins in magnesium (Mg) by probing the transmission of { 10 1 ¯ 2 } deformation twins across grain boundaries. We analyze the effect of the strain relaxation near a grain boundary, which is related to the geometric compatibility arising from the misorientation angle between adjoining grains. Phase-field simulations demonstrate that twin transmission across a grain boundary into a neighboring grain leads to grain boundary migration towards the neighboring grain with a reduced grain boundary width. The preferred nucleation site of new twin variant in the neighboring grain is related to the elastic interaction energy distribution. These predicted transmission behaviors agree well with existing experimental observations and molecular dynamics simulations. By analyzing set of systematic phase-field simulation results, we establish a rotation-angle-related twin variant selection rule for analyzing the transmission of { 10 1 ¯ 2 } deformation twins across grain boundaries in Mg and its alloys.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Magnesium Alloys: Properties and Applications · Aluminum Alloy Microstructure Properties · Microstructure and mechanical properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (79)
Show source-provided references
1. Magnesium properties - applications - potential10.1016/S0921-5093(00)01351-4 ↗
2. Hierarchically controlled inside‐out doping of Mg nanocomposites for moderate temperature hydrogen storage10.1002/adfm.201704316 ↗
3. Growth twins and deformation twins in metals10.1146/annurev-matsci-070813-113304 ↗
4. Time and spatial resolution of slip and twinning in a grain embedded within a magnesium polycrystal10.1016/j.actamat.2014.06.030 ↗
5. Deformation twinning10.1016/0079-6425(94)00007-7 ↗
6. The crystallography and deformation modes of hexagonal close-packed metals10.1179/imr.1967.12.1.169 ↗
7. M.H. Yoo, J.K. Lee, Deformation twinning in hcp metals and alloys, 63 (1991) 987–1000.10.1080/01418619108213931 ↗
8. Hard-sphere displacive model of extension twinning in magnesium10.1016/j.matdes.2017.01.047 ↗
9. Twinning and double twinning upon compression of prismatic textures in an AM30 magnesium alloy10.1016/j.scriptamat.2011.01.003 ↗
10. X.H. Shao, Z.Z. Peng, Q.Q. Jin, X.L. Ma, Atomic scale characterizing interaction between {101 ̅3} twin and stacking faults with solute atoms in an Mg-Zn-Y alloy, Mater. Sci. Eng. A.700 (2017) 468–472.10.1016/j.msea.2017.06.046 ↗
11. {101¯1}Twin boundary structures in a Mg–Gd alloy10.1016/j.actamat.2017.09.067 ↗
12. Why are {101 ̅2} twins profuse in magnesium?10.1016/j.actamat.2014.11.033 ↗
13. Deformation twinning in hexagonal materials10.1557/mrs.2016.64 ↗
14. Role of {101¯2}twinning characteristics in the deformation behavior of a polycrystalline magnesium alloy10.1016/j.actamat.2010.07.002 ↗
15. Strain path dependence of {101 ̅2} twinning activity in a polycrystalline magnesium alloy10.1016/j.scriptamat.2010.09.030 ↗
16. Three-dimensional investigation of grain boundary-twin interactions in a Mg AZ31 alloy by electron backscatter diffraction and continuum modeling10.1016/j.actamat.2013.09.005 ↗
17. Nucleation and propagation of {101 ̅2} twins in AZ31 magnesium alloy10.1016/j.actamat.2015.08.024 ↗
18. {101 ̅2} Twins across twin boundaries traced by in situ EBSD10.1016/j.jallcom.2016.08.076 ↗
19. Statistical analyses of deformation twinning in magnesium10.1080/14786431003630835 ↗
20. Influence of orientation on twin nucleation and growth at low strains in a magnesium alloy10.1016/j.actamat.2014.07.013 ↗
21. {101 ̅2} Twin variants selection mechanisms during twinning, re-twinning and detwinning10.1016/j.msea.2014.06.088 ↗
22. Understanding of variant selection and twin patterns in compressed Mg alloy sheets via combined analysis of Schmid factor and strain compatibility factor10.1016/j.msea.2014.04.103 ↗
23. On the selection of extension twin variants with low Schmid factors in a deformed Mg alloy10.1016/j.actamat.2014.10.004 ↗
24. Geometrical compatibility factor analysis of paired extension twins in extruded Mg-3Al-1 Zn alloys10.1016/j.matdes.2015.07.130 ↗
25. Challenges in the prediction of twin transmission at grain boundaries in a magnesium alloy10.1016/j.scriptamat.2016.05.044 ↗
26. Numerical study of the stress state of a deformation twin in magnesium10.1016/j.actamat.2014.10.048 ↗
27. Grain neighbour effects on twin transmission in hexagonal close-packed materials10.1038/ncomms13826 ↗
28. Effect of local stress fields on twin characteristics in HCP metals10.1016/j.actamat.2016.06.042 ↗
29. Modeling the effect of neighboring grains on twin growth in HCP polycrystals10.1088/1361-651X/aa7bbb ↗
30. Nucleation of a (10¯12)twin in hexagonal close-packed crystals10.1016/j.scriptamat.2009.07.028 ↗
31. Twinning and de-twinning via glide and climb of twinning dislocations along serrated coherent twin boundaries in hexagonal-close-packed metals10.1080/21663831.2013.779601 ↗
32. Deformation twinning in polycrystalline mg microstructures at high strain rates at the atomic scales10.1038/s41598-019-39958-w ↗
33. Computer simulation of grain growth using a continuum field model10.1016/S1359-6454(96)00200-5 ↗
34. Phase-field models for microstructure evolution10.1146/annurev.matsci.32.112001.132041 ↗
35. Predicting β′ precipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling10.1016/j.actamat.2014.05.002 ↗
36. Investigation on evolution mechanisms of site-specific grain structures during metal additive manufacturing10.1016/j.jmatprotec.2018.02.042 ↗
37. Ji · 2017
38. Simulations of stress-induced twinning and de-twinning: a phase-field model10.1016/j.actamat.2010.08.020 ↗
39. A phase-field model for deformation twinning10.1080/09500839.2010.537284 ↗
40. Phase-field model of deformation twinning in tantalum: parameterization via molecular dynamics10.1016/j.scriptamat.2012.11.022 ↗
41. A phase-field model of deformation twinning: nonlinear theory and numerical simulations10.1016/j.physd.2010.12.012 ↗
42. A phase-field model of twinning and detwinning coupled with dislocation-based crystal plasticity for HCP metals10.1016/j.commatsci.2014.08.034 ↗
43. A phase-field study focuses on the transverse propagation of deformation twinning for hexagonal-closed packed crystals10.1016/j.ijplas.2015.08.002 ↗
44. An integrated crystal plasticity-phase-field model for spatially resolved twin nucleation, propagation, and growth in hexagonal materials10.1016/j.ijplas.2018.03.009 ↗
45. Formation and autocatalytic nucleation of co-zone {101 ̅2} deformation twins in polycrystalline Mg: a phase-field simulation study10.1016/j.actamat.2018.04.043 ↗
46. Phase-field simulation of the coupled evolutions of grain and twin boundaries in nanotwinned polycrystals10.1007/s10483-018-2393-7 ↗
47. A probabilistic twin nucleation model for HCP polycrystalline metals
48. Free energy of a nonuniform system. I. Interfacial free energy10.1063/1.1744102 ↗
49. Computer simulation of the domain dynamics of a quenched system with a large number of nonconserved order parameters: the grain-growth kinetics10.1103/PhysRevB.50.15752 ↗
50. Provatas · 2010 · 143
51. Computer simulation of 3-D grain growth using a phase-field model
52. Effect of second-phase particle morphology on grain growth kinetics10.1016/j.actamat.2009.07.025 ↗
53. Evaluating microstructural parameters of three-dimensional grains generated by phase-field simulation or other voxel-based techniques10.1088/0965-0393/20/7/075009 ↗
54. Effect of strong nonuniformity in grain boundary energy on 3-D grain growth behavior: a phase-field simulation study10.1016/j.commatsci.2016.10.027 ↗
55. A continuum model of grain boundaries10.1016/S0167-2789(00)00023-3 ↗
56. Extending phase field models of solidification to polycrystalline materials10.1016/S1359-6454(03)00388-4 ↗
57. Efficient numerical algorithm for multiphase field simulations10.1103/PhysRevE.73.016703 ↗
58. A Cosserat crystal plasticity and phase field theory for grain boundary migration10.1016/j.jmps.2018.03.006 ↗
59. A three-dimensional misorientation axis- and inclination-dependent Kobayashi–Warren–Carter grain boundary model10.1016/j.jmps.2019.03.020 ↗
60. Microstructure evolution in deformed polycrystals predicted by a diffuse interface Cosserat approach10.1186/s40323-020-00146-5 ↗
61. Shuffling-controlled versus strain-controlled deformation twinning: the case for HCP Mg twin nucleation10.1016/j.ijplas.2016.01.019 ↗
62. A spectral iterative method for the computation of effective properties of elastically inhomogeneous polycrystals10.4208/cicp.290610.060411a ↗
63. Khachaturyan · 2013
64. A phase-field model for evolving microstructures with strong elastic inhomogeneity10.1016/S1359-6454(01)00118-5 ↗
65. An iterative-perturbation scheme for treating inhomogeneous elasticity in phase-field models10.1016/j.jcp.2005.02.015 ↗
66. Grain-boundary relaxation and its effect on plasticity in nanocrystalline Fe
67. Diffuse interface model for structural transitions of grain boundaries10.1103/PhysRevB.73.024102 ↗
68. Grain boundary transitions in binary alloys10.1103/PhysRevLett.97.075502 ↗
69. In situ observation of twin boundary migration in copper with nanoscale twins during tensile deformation10.1080/09500830701591493 ↗
70. Phase-field modeling of displacive phase transformations in elastically anisotropic and inhomogeneous polycrystals10.1016/j.actamat.2014.05.014 ↗
71. The role of strain accommodation during the variant selection of primary twins in magnesium10.1016/j.actamat.2010.12.005 ↗
72. Statistical analysis of twin/grain boundary interactions in pure rhenium10.1016/j.actamat.2019.04.051 ↗
73. Twin nucleation by slip transfer across grain boundaries in commercial purity titanium10.1007/s11661-009-0097-6 ↗
74. Applications of semi-implicit Fourier-spectral method to phase-field equations10.1016/S0010-4655(97)00115-X ↗
75. On the role of twinning and stacking faults on the crystal plasticity and grain refinement in magnesium alloys10.1016/j.actamat.2017.11.004 ↗
76. Regulating twin boundary mobility by annealing in magnesium and its alloys10.1016/j.ijplas.2017.08.002 ↗
77. Quantitative phase-field approach for simulating grain growth in anisotropic systems with arbitrary inclination and misorientation dependence10.1103/PhysRevLett.101.025502 ↗
78. Quantitative analysis of grain boundary properties in a generalized phase field model for grain growth in anisotropic systems10.1103/PhysRevB.78.024113 ↗
79. Computer simulation of texture evolution during grain growth: effect of boundary properties and initial microstructure10.1016/j.actamat.2004.05.001 ↗