The many faces of θ'-Al2Cu precipitates: Energetics of pristine and solute segregated Al/θ' semi-coherent interfaces
Source abstract
Abstract
θ`-Al 2Cu precipitates in Al-Cu alloys have various distorted octagon shapes, which can be explained by the competition between {100} and {110} type semi-coherent interfaces with the Al matrix. While most prior studies on the semi-coherent Al/ θ` interfaces have focused on the {100} orientation, little is known about the {110} interface. We have investigated the energetics of pristine and solute-segregated {110} semi-coherent Al/ θ` interfaces with advanced characterization and first-principles studies. We report interfacial, strain, and solute segregation energetics of the {110} Al/ θ` semi-coherent interface for 39 elements and compared them with previously reported values of the {100} interface. We discuss the atomic features and atomic local structures to identify similarities and differences between the two types of Al/ θ` semi-coherent interfaces. The isotropy in pristine Al/ θ` semi-coherent interfacial energy and the anisotropy resulting from solute segregation provide insight into the formation of different types of θ` precipitate “faces” reported in the literature.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Aluminum Alloy Microstructure Properties · Aluminum Alloys Composites Properties · Microstructure and mechanical properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (50)
Show source-provided references
1. Hundred years of precipitation hardening10.1016/S1471-5317(01)00006-2 ↗
2. Precipitation hardening of aluminum alloys10.1007/BF02672283 ↗
3. Physikalisch-metallurgische Untersuchungen über magnesiumhaltige aluminiumlegierungen
4. Entropically Favored Ordering: the Metallurgy of Al2Cu Revisited10.1103/PhysRevLett.86.5518 ↗
5. Precipitates in Al–Cu alloys revisited: atom-probe tomographic experiments and first-principles calculations of compositional evolution and interfacial segregation10.1016/j.actamat.2011.06.036 ↗
6. The crystal structure of the β″ phase in Al-Mg-Si alloys10.1016/S1359-6454(97)00493-X ↗
7. Elevated temperature microstructural stability in cast AlCuMnZr alloys through solute segregation10.1016/j.msea.2019.138279 ↗
8. Solute repositioning to tune the multiple microalloying effects in an Al–Cu alloy with minor Sc, Fe and Si addition10.1016/j.msea.2020.140509 ↗
9. Coupled segregation mechanisms of Sc, Zr and Mn at θ′ interfaces enhances the strength and thermal stability of Al-Cu alloys10.1016/j.actamat.2021.116634 ↗
10. New-Age Al-Cu-Mn-Zr (ACMZ) alloy for high temperature-high strength applications: a review
11. Assembling dual precipitates to improve high-temperature resistance of multi-microalloyed Al–Cu alloys10.1016/j.jallcom.2019.153629 ↗
12. Segregation-sandwiched stable interface suffocates nanoprecipitate coarsening to elevate creep resistance10.1080/21663831.2020.1799447 ↗
13. Strength and stability through variable micro segregation behaviour of Ta and Zr solutes at intermetallic interfaces in Al-Cu alloys10.1016/j.actamat.2023.119254 ↗
14. G. Moon, E. Lee, Synergistic segregation mechanisms of Cr, Mn and Zr at Al/Θ′ interfaces to improve thermal stability and strengthening mechanisms of Al–Cu alloys, (2023). https://doi.org/10.2139/ssrn.4479308.10.2139/ssrn.4479308 ↗
15. The interplay of precipitation of ordered compounds and interfacial segregation in Al-Cu-Hf-Si alloys for high-temperature strength10.1016/j.actamat.2022.118355 ↗
16. Multiscale modeling of precipitate microstructure evolution10.1103/PhysRevLett.88.125503 ↗
17. Multiscale modeling of θ′ precipitation in Al–Cu binary alloys10.1016/j.actamat.2004.03.001 ↗
18. Atomistic calculations of interfacial energies, nucleus shape and size of θ′ precipitates in Al–Cu alloys10.1016/j.actamat.2006.06.010 ↗
19. Solute segregation at the Al/θ′-Al2Cu interface in Al-Cu alloys10.1016/j.actamat.2017.09.020 ↗
20. Interfacial stability of θ′/Al in Al-Cu alloys10.1016/j.scriptamat.2018.09.018 ↗
21. On the Interaction between dislocations and decomposition products in an Al-4\% Cu Alloy
22. Interface dislocations and glide dislocations on theta] precipitates in an Al-4 percent cu alloy, Science reports of the research institutes
23. Efficient atomic-scale kinetics through a complex heterophase interface
24. Preparation of high quality Al TEM specimens via a double-jet electropolishing technique10.1016/j.matchar.2007.04.003 ↗
25. Comparative evaluation of cast aluminum alloys for automotive cylinder heads: part II—mechanical and thermal properties10.1007/s11661-017-3986-0 ↗
26. In situ site-specific specimen preparation for atom probe tomography10.1016/j.ultramic.2006.06.008 ↗
27. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
28. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
29. Assessing the performance of recent density functionals for bulk solids10.1103/PhysRevB.79.155107 ↗
30. VASP on a GPU: application to exact-exchange calculations of the stability of elemental boron10.1016/j.cpc.2012.02.017 ↗
31. Accelerating VASP electronic structure calculations using graphic processing units10.1002/jcc.23096 ↗
32. Speeding up plane-wave electronic-structure calculations using graphics-processing units10.1016/j.cpc.2011.03.010 ↗
33. Petascale supercomputing to accelerate the design of high-temperature alloys10.1080/14686996.2017.1371559 ↗
34. Detecting novel associations in large data sets
35. Pearson's correlation coefficient10.1136/bmj.e4483 ↗
36. Atomic structures of interfacial solute gateways to θ′ precipitates in Al-Cu alloys10.1016/j.actamat.2021.116891 ↗
37. The magic thicknesses of θ′ precipitates in Sn-microalloyed Al–Cu10.1016/j.actamat.2011.10.015 ↗
38. The synergistic role of Mn and Zr/Ti in producing θ′/L12 co-precipitates in Al-Cu alloys10.1016/j.actamat.2020.05.043 ↗
39. Solute–vacancy binding in aluminum10.1016/j.actamat.2007.06.039 ↗
40. Solute-vacancy clustering in aluminum10.1016/j.actamat.2020.06.062 ↗
41. Special quasirandom structures10.1103/PhysRevLett.65.353 ↗
42. Efficient stochastic generation of special quasirandom structures10.1016/j.calphad.2013.06.006 ↗
43. Thermodynamic properties of binary hcp solution phases from special quasirandom structures10.1103/PhysRevB.74.024204 ↗
44. Enthalpy of mixing for ternary fcc solid solutions from special quasirandom structures10.1016/j.calphad.2007.09.002 ↗
45. The equilibrium shape of a misfitting precipitate10.1016/0956-7151(94)90036-1 ↗
46. Influence of coherency stress on microstructural evolution in model Ni-Al-Mo alloys10.1016/0956-7151(94)00337-H ↗
47. Subnanometer scale study of segregation at grain boundaries in an Fe(Si) alloy10.1016/S1359-6454(98)00262-6 ↗
48. Simultaneous segregation at coherent and semicoherent heterophase interfaces10.1103/PhysRevLett.105.076102 ↗
49. Equilibrium segregation and interfacial energy in multicomponent systems10.1016/0956-7151(91)90277-8 ↗
50. Temperature-dependent stability of θ′-Al2Cu precipitates investigated with phase field simulations and experiments10.1016/j.mtla.2018.100185 ↗