@article{790302fe85804662a203b09766870af5,
title = "Phase-field model of deformation twin-grain boundary interactions in hexagonal systems",
abstract = "A phase-field model for describing dynamic interactions between deformation twins and grain boundaries in a hexagonal close packed (HCP) metal is established. It is applied to simulating the coupled evolution mechanisms of grains and twins in magnesium (Mg) by probing the transmission of {101¯2} deformation twins across grain boundaries. We analyze the effect of the strain relaxation near a grain boundary, which is related to the geometric compatibility arising from the misorientation angle between adjoining grains. Phase-field simulations demonstrate that twin transmission across a grain boundary into a neighboring grain leads to grain boundary migration towards the neighboring grain with a reduced grain boundary width. The preferred nucleation site of new twin variant in the neighboring grain is related to the elastic interaction energy distribution. These predicted transmission behaviors agree well with existing experimental observations and molecular dynamics simulations. By analyzing set of systematic phase-field simulation results, we establish a rotation-angle-related twin variant selection rule for analyzing the transmission of {101¯2} deformation twins across grain boundaries in Mg and its alloys.",
author = "Xin Hu and Yanzhou Ji and Heo, {Tae Wook} and Chen, {Long Qing} and Xiangyang Cui",
note = "Funding Information: X. Hu and X.Y. Cui acknowledge the support by National Natural Science Foundation of China ( 11872177 ), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China ( 51621004 ), National Key R & D Program of China ( 2017YFB1002704 ), and the China Scholarship Council . The work of T.W. Heo was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344 . The work of T.W. Heo is funded by support through the Hydrogen Materials – Advanced Research Consortium (HyMARC) of the U.S. Department of Energy ( DOE ), Office of Energy Efficiency and Renewable Energy ( EERE ), Fuel Cell Technologies Office ( FCTO ) under Contract DE-AC52-07NA27344 . Y.Z. Ji and L.-Q. Chen acknowledge the partial support from the Hamer Professorship at Penn State. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ",
year = "2020",
month = nov,
doi = "10.1016/j.actamat.2020.09.062",
language = "English (US)",
volume = "200",
pages = "821--834",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
}