Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics

ZC Meng and MM Yang and AH Feng and SJ Qu and F Zhao and L Yang and JH Yao and Y Yang and QB Fan and H Wang, JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 156, 118-128 (2023).

DOI: 10.1016/j.jmst.2023.01.039

The interaction between 112 < 111> deformation twinning and grain boundary in coaxial polycrystalline tantalum under shock compression was studied with molecular dynamics simulation under different grain pair misorientation angles (MA) and geometric compatibility factor ( m '). Generally, in the coax-ial polycrystal, the value of MA determines the occurrence of twin transfer (TT) or twin blockage (TB), i.e., twin transfer occurs at MA a 29 degrees with twin blockage otherwise. Under TT, the value of m ' affects the selection of twin variants., i.e., the twin system with a larger m ' is easier to active. The morphol-ogy of twin pairs is ruler-shaped and lenticular under TT and TB, respectively, with different thickening mechanisms, including grain boundary dislocation emission.(c) 2023 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.

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