University of California, San Diego, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); The Regents of the Univ. of Calif.,U.C. San Diego
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
University of California, San Diego, CA (United States)
Grain boundaries can play a significant role in the mechanical response of materials. Atomistic simulations are used to investigate 79 coincidence site lattice grain boundary structures and energies in tantalum, a model body-centered cubic transition metal. Quasi-symmetric Σ3, Σ5, Σ7, Σ13, and Σ27 boundaries are observed, of which Σ3 and Σ7 also exist as traditional mirror-symmetry conserving boundary structures. These results are supported by previous observations of similar phenomena in other bcc transition metal Σ5 boundaries. Metastable low energy Σ3 boundary structures in tantalum could thus influence the formation and stability of deformation twins and abnormal growth grain favoring Σ3 boundaries.
Hahn, Eric N., Fensin, Saryu J., Germann, Timothy C., & Meyers, Marc A. (2016). Symmetric tilt boundaries in body-centered cubic tantalum. Scripta Materialia, 116(C). https://doi.org/10.1016/j.scriptamat.2016.01.038
Hahn, Eric N., Fensin, Saryu J., Germann, Timothy C., et al., "Symmetric tilt boundaries in body-centered cubic tantalum," Scripta Materialia 116, no. C (2016), https://doi.org/10.1016/j.scriptamat.2016.01.038
@article{osti_1462271,
author = {Hahn, Eric N. and Fensin, Saryu J. and Germann, Timothy C. and Meyers, Marc A.},
title = {Symmetric tilt boundaries in body-centered cubic tantalum},
annote = {Grain boundaries can play a significant role in the mechanical response of materials. Atomistic simulations are used to investigate 79 coincidence site lattice grain boundary structures and energies in tantalum, a model body-centered cubic transition metal. Quasi-symmetric Σ3, Σ5, Σ7, Σ13, and Σ27 boundaries are observed, of which Σ3 and Σ7 also exist as traditional mirror-symmetry conserving boundary structures. These results are supported by previous observations of similar phenomena in other bcc transition metal Σ5 boundaries. Metastable low energy Σ3 boundary structures in tantalum could thus influence the formation and stability of deformation twins and abnormal growth grain favoring Σ3 boundaries.},
doi = {10.1016/j.scriptamat.2016.01.038},
url = {https://www.osti.gov/biblio/1462271},
journal = {Scripta Materialia},
issn = {ISSN 1359-6462},
number = {C},
volume = {116},
place = {United States},
publisher = {Elsevier},
year = {2016},
month = {02}}
Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, Vol. 309, Issue 1506, p. 55-68https://doi.org/10.1098/rsta.1983.0022