Abstract:There is a pressing need to improve the ductility of magnesium alloys so that they can be applied as lightweight structural materials. In this study, a mechanism for enhancing the ductility of magnesium alloys has been pursued using the atomistic method. The generalized stacking fault (GSF) energies for basal and prismatic planes in magnesium were calculated by using density functional theory, and the effect of the GSF energy on the dislocation core structures was examined using a semidiscrete variational Peie… Show more
“…Solute atoms alter the dislocation core structure, resulting in a variation in the Peierls stress [43]. The Peierls stress increases with the GSFE gradient [43][44][45]. As shown in Fig.…”
Section: Resultsmentioning
confidence: 92%
“…For both the basal and prismatic hai slips, the GSFEs for the Mg-Zn-X models were lower than that of the Mg-Zn model, and the GSFEs for the Mg-X models were lower than that of the pure Mg model. Solute atoms alter the dislocation core structure, resulting in a variation in the Peierls stress [43]. The Peierls stress increases with the GSFE gradient [43][44][45].…”
“…Solute atoms alter the dislocation core structure, resulting in a variation in the Peierls stress [43]. The Peierls stress increases with the GSFE gradient [43][44][45]. As shown in Fig.…”
Section: Resultsmentioning
confidence: 92%
“…For both the basal and prismatic hai slips, the GSFEs for the Mg-Zn-X models were lower than that of the Mg-Zn model, and the GSFEs for the Mg-X models were lower than that of the pure Mg model. Solute atoms alter the dislocation core structure, resulting in a variation in the Peierls stress [43]. The Peierls stress increases with the GSFE gradient [43][44][45].…”
“…Some recent papers have pointed out that the addition of Y atoms brings about a decrease in critical resolved shear stress in the non-basal plane by first-principle calculation. 34,35) In addition, the addition of Y atoms is reported to promote the formation of stacking faults in the matrix. Furthermore, these points, where the created stacking faults are due to the addition of Y atoms, are the origin of the activation of cross-slip.…”
The effect of minor addition of yttrium element on deformation behavior was investigated using MgX at%Y (X = 0.01, 0.02, 0.03, 0.04 and 0.05) dilute alloys and pure magnesium with an average grain size of about 50 µm. The stress and strain curves in all the alloys showed a sigmoidal shape in the compression tests, which suggested the formation of {1012}-type twinning due to the lack of slip system. On the other hand, yttrium atom addition of more than 0.03 at% was effective to affect the deformation behavior: a large compressive strain of 0.5 was possible to obtain, and the sub-grained and fine-grained structures were formed even at room temperature in three kinds of alloys. The dominant deformation mechanism in these alloys was the twinning at the beginning of the state and the dislocation slip with further imposed strain.
“…In this case the GSFE curve is the minimum energy path on the gamma surface, and the left part of the gamma surface will not be accessed even though a full gamma surface is available. Such an example for the prismatic dislocation in Mg can be found in [31].…”
Dislocations are among the most important defects in determining the mechanical properties of both conventional alloys and highentropy alloys. The Peierls-Nabarro model supplies an efficient pathway to their geometries and mobility. The difficulty in solving the integro-differential Peierls-Nabarro equation is how to effectively avoid the local minima in the energy landscape of a dislocation core. Among the other methods to optimize the dislocation core structures, we choose the algorithm of Particle Swarm Optimization, an algorithm that simulates the social behaviors of organisms. By employing more particles (bigger swarm) and more iterative steps (allowing them to explore for longer time), the local minima can be effectively avoided. But this would require more computational cost. The advantage of this algorithm is that it is readily parallelized in modern high computing architecture. We demonstrate the performance of our parallelized algorithm scales linearly with the number of employed cores.
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