12th International Conference on Magnesium Alloys and their Applications (Mg 2021): Modeling I
Program Organizers: Alan Luo, Ohio State University; Mihriban Pekguleryuz, McGill University; Sean Agnew, University of Virginia; John Allison, University of Michigan; Karl Kainer; Eric Nyberg, Kaiser Aluminum Trentwood; Warren Poole, University of British Columbia; Kumar Sadayappan, CanmetMATERIALS; Bruce Williams, Canmetmaterials Natural Resources Canada; Stephen Yue, Mcgill University

Friday 9:50 AM
June 18, 2021
Room: Invited I
Location: Virtual

Session Chair: John Allison, University of Michigan


9:50 AM  Invited
Atomistic Modeling in Mg and its Alloys: How does it help?: William Curtin1; Zhaoxuan Wu2; Rasool Ahmad1; Binglun Yin3; M. Stricker4; X. Liu1; 1École Polytechnique Fédérale de Lausanne; 2City University of Hong Kong; 3Zhejiang University; 4Ruhr University, Bochum
    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.

10:20 AM  Invited
Mathematical Modeling of Multiple Effect Distillation of Magnesium: Armaghan Telgerafchi1; Madison Rutherford1; Gabriel Espinosa1; Adam Powell1; 1Worcester Polytechnic Institute
    Gravity-driven multiple-effect thermal system (G-METS) is a new method for potentially reducing both the cost and energy use of industrial magnesium distillation by as much as 90%. It uses gravity pressure head in standpipes to create pressure differences between effects, creating a cascade of multiple evaporations using heat of condensation. This talk will describe a detailed mathematical model of G-METS magnesium distillation including kinetics of alloy evaporation. Aspects of the model describe counter-flow evaporators and condensers which can separate volatile alloying elements such as zinc. Validating experiments include one- and two-effect batch distillation of Mg alloys including Zn, Al, Mn, Fe, Ni and Cu. Finally, a new primary production flowsheet using G-METS distillation can potentially reduce the cost of magnesium below that of aluminum. And this can in turn potentially enable new uses of magnesium for grid energy storage and transportation.