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Energy Pathways And Directionality In Deformation Twinning, S. Kibey, J. B. Liu, Duane D. Johnson, H. Sehitoglu

Duane D. Johnson

We present ab initiodensity functional theory calculations of twinning energy pathways for two opposite twinning modes, (111)[112¯] and (111)[1¯1¯2], in fcc materials to examine the directional nature of twinning which cannot be explained by classical twin nucleationmodels or the “twinnability” criterion. By accounting for these energy pathways in a multiscale model, we quantitatively predict the critical twinning stress for the (111)[1¯1¯2] mode to be substantially higher compared to the favorable (111)[112¯] mode (whose predicted stresses are in agreement with experiment), thus, ruling out twinning in the (111)[1¯1¯2] mode.