Atomistic modeling of interface strengthening in Al-Si eutectic alloys
Abstract
Al-Si cast alloys are usually composed of α-Al and Al-Si eutectic. Si flakes and Al matrix generally hold cube-on-cube orientation relationship with the primary interface (111)Al∥(111)Si. Extensive experimental studies demonstrated that Si flakes cannot significantly improve mechanical properties of Al-Si cast alloys. We hypothesize that the weak strengthening effect associated with Si flakes might be attributed to thermomechanical properties of Al-Si interfaces besides their morphologies. To characterize Al-Si interfaces with a large lattice mismatch (> 30%), we proposed the quasi-coincident site lattice (Q-CSL) as reference lattice, and demonstrated that the Q-CSL Al-Si coherent interface has three characteristic coherent structures, one stable and low energy structure and two metastable and high energy structures. The translation vectors for the same type of coherent Q-CSL structures are consistent with three displacement shift complete (DSC) vectors. The two metastable structures can be obtained by shifting the low energy structure with three partial DSC vectors. Semi-coherent interface is composed of the low energy Q-CSL patches and three sets of interface misfit dislocations with Burgers vectors same as the DSC vectors. Atomistic simulations revealed that Al-Si interface exhibits low shear resistance. Ideal shear strength of the Q-CSL coherent interface is 110 MPa and semi-coherent interface ismore »
- Authors:
-
- University of Nebraska, Lincoln, NE (United States)
- University of Michigan, Ann Arbor, MI (United States)
- Publication Date:
- Research Org.:
- Univ. of Michigan, Ann Arbor, MI (United States); Univ. of Nebraska, Lincoln, NE (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1976781
- Alternate Identifier(s):
- OSTI ID: 1838069
- Grant/Contract Number:
- SC0016808; ECCS: 1542182
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Volume: 225; Journal Issue: C; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 42 ENGINEERING; Al-Si alloy; flake; interface; dislocation; atomistic simulation
Citation Formats
Wu, Wenqian, Gong, Mingyu, Wei, Bingqiang, Misra, Amit, and Wang, Jian. Atomistic modeling of interface strengthening in Al-Si eutectic alloys. United States: N. p., 2021.
Web. doi:10.1016/j.actamat.2021.117586.
Wu, Wenqian, Gong, Mingyu, Wei, Bingqiang, Misra, Amit, & Wang, Jian. Atomistic modeling of interface strengthening in Al-Si eutectic alloys. United States. https://doi.org/10.1016/j.actamat.2021.117586
Wu, Wenqian, Gong, Mingyu, Wei, Bingqiang, Misra, Amit, and Wang, Jian. Thu .
"Atomistic modeling of interface strengthening in Al-Si eutectic alloys". United States. https://doi.org/10.1016/j.actamat.2021.117586. https://www.osti.gov/servlets/purl/1976781.
@article{osti_1976781,
title = {Atomistic modeling of interface strengthening in Al-Si eutectic alloys},
author = {Wu, Wenqian and Gong, Mingyu and Wei, Bingqiang and Misra, Amit and Wang, Jian},
abstractNote = {Al-Si cast alloys are usually composed of α-Al and Al-Si eutectic. Si flakes and Al matrix generally hold cube-on-cube orientation relationship with the primary interface (111)Al∥(111)Si. Extensive experimental studies demonstrated that Si flakes cannot significantly improve mechanical properties of Al-Si cast alloys. We hypothesize that the weak strengthening effect associated with Si flakes might be attributed to thermomechanical properties of Al-Si interfaces besides their morphologies. To characterize Al-Si interfaces with a large lattice mismatch (> 30%), we proposed the quasi-coincident site lattice (Q-CSL) as reference lattice, and demonstrated that the Q-CSL Al-Si coherent interface has three characteristic coherent structures, one stable and low energy structure and two metastable and high energy structures. The translation vectors for the same type of coherent Q-CSL structures are consistent with three displacement shift complete (DSC) vectors. The two metastable structures can be obtained by shifting the low energy structure with three partial DSC vectors. Semi-coherent interface is composed of the low energy Q-CSL patches and three sets of interface misfit dislocations with Burgers vectors same as the DSC vectors. Atomistic simulations revealed that Al-Si interface exhibits low shear resistance. Ideal shear strength of the Q-CSL coherent interface is 110 MPa and semi-coherent interface is 20 MPa. The low shear resistance is attributed to the glide of interface misfit dislocations. Al-Si interface also exhibits low formation and migration energies of point defects. Owing to low shear strength and low formation and migration energies of point defects, interface sliding or shear readily happen under mechanical loading or during dislocation-interface interactions. Lattice dislocations can cross slip onto or climb along Al-Si interfaces. These reactions decrease the number of accumulated dislocation loops around Si flakes and promote nucleation and emission of lattice dislocations from Al-Si interfaces to matrix, consequently reduce the repulsive force on approaching dislocations and weaken Si flakes strengthening effect. In situ tension and compression tests in a scanning electron microscope reveal relatively weak strengthening effect due to Si flakes, consistent with the computed dislocation interaction with interfaces and shear behavior of interfaces.},
doi = {10.1016/j.actamat.2021.117586},
journal = {Acta Materialia},
number = C,
volume = 225,
place = {United States},
year = {Thu Dec 23 00:00:00 EST 2021},
month = {Thu Dec 23 00:00:00 EST 2021}
}
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