The Center for Predictive Integrated Structural Materials Science (PRISMS Center) is creating a unique framework for accelerated predictive materials science and rapid insertion of the latest scientific knowledge into next-generation ICME tools. There are three key elements of this framework. The first is a suite of high-performance, open-source integrated multi-scale computational tools for predicting microstructural evolution and mechanical behavior of structural metals. Specific modules include statistical mechanics, phase field, crystal plasticity simulation and real-space DFT codes. The second is the Materials Commons, a collaboration platform and information repository for the materials community. The third element of the PRISMS framework is a set of integrated scientific ''Use Cases'' in which these computational methods are linked with experiments to demonstrate the ability for improving our predictive understanding of magnesium alloys, in particular, the influence of microstructure on monotonic and cyclic mechanical behavior. This paper reviews progress toward these goals and future plans.
Crystallographic texture is a well-known microstructural feature influencing the formability of magnesium alloys. However, the effects of individual texture characteristics common after thermomechanical processing have not been isolated due to the experimental challenge associated with varying them independently. Similarly, the effect of the propensity for twinning on formability, which both accommodates deformation and reorients the crystal, have not been systematically studied. This study uses synthetic sheet textures in conjunction with a viscoplastic self-consistent (VPSC) polycrystal plasticity model to predict deformation and formability behavior. The VPSC model was first parameterized based on experimental mechanical data and textures from fine-grained thixomolded and thermomechanically processed AZ61L. Subsequently, synthetic textures were generated to examine the effects of basal peak intensity, prismatic plane distribution, and asymmetry of the basal pole figure peak. Of these texture characteristics, basal peak strength is the most important predictor of forming behavior, with prismatic plane distribution and c-axis anisotropy resulting in comparatively weak effects. In the second part of the study, the effective critical resolved shear stress for twinning was varied, resulting in poorer forming behavior with easier twin activation. In both cases, increasing prismatic slip activity was deleterious to the predicted forming behavior.
Two phases dominate the performance of commercial Mg alloys: (1) b Mg 17 Al 12 and (2) porosity. Alloy design and process design to optimize the morphology of the first and to minimize the second are discussed. Second phase b can be designed to improve tensile strength, fatigue strength, toughness, texture, formability and corrosion resistance of Mg alloys. Processing is applied to refine the grain size, to array this phase in micron sizes at grain boundaries, and to further precipitate this phase in nanometer arrays within the grains. Therein, the 2nd phase b plays the following roles: (1) retarding grain growth, (2) randomizing texture, (3) Hall-Petch hardening, (4) Orowan hardening, and (5) moderating corrosion. Porosity is a detrimental 2nd phase common to cast Mg alloys in the form of gas or voids; its control being essential to engineering applications. Porosity can be diminished by sub-liquidus molding with high-velocity/high-pressure injection and then eliminated by subsequent hot deformation.
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