About this Abstract |
Meeting |
12th International Conference on Magnesium Alloys and their Applications (Mg2021)
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Symposium
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12th International Conference on Magnesium Alloys and their Applications (Mg 2021)
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Presentation Title |
Atomistic Modeling in Mg and its Alloys: How does it help? |
Author(s) |
William A. Curtin, Zhaoxuan Wu, Rasool Ahmad, Binglun Yin, M. Stricker, X. Liu |
On-Site Speaker (Planned) |
William A. Curtin |
Abstract Scope |
The strength and ductility in Mg and its alloys are controlled by phenomena that are fundamentally atomistic in nature, associated with the detailed behavior of the various dislocations in the hcp Mg crystal structure. This suggests that direct atomistic modeling and theory of atomistic deformation mechanisms can be useful for guiding the creation of new higher-performance alloys that are needed to make Mg technologically more useful. Here, we show a suite of simulations and/or theories demonstrating the specific dislocation phenomena that largely control Mg deformation. Examples include (i) the intrinsic transformation of the Pyramidal II <c+a> dislocation to a lower-energy, sessile, basal-dissociated structure, (ii) a Pyramidal cross-slip mechanism that enables ductility in alloys leading to a design map for achieving ductility in Rare-Earth-free alloys, (iii) solute strengthening of basal slip to decreasing plastic anisotropy, and (iv) the unusual observed features of prism slip revealed at the atomistic scale. |
Proceedings Inclusion? |
Planned: At-meeting proceedings |