TY - JOUR
T1 - Grain boundary formation through particle detachment during coarsening of nanoporous metals
AU - Elder, Kate L.M.
AU - Beck Andrews, W.
AU - Ziehmer, Markus
AU - Mameka, Nadiia
AU - Kirchlechner, Christoph
AU - Davydok, Anton
AU - Micha, Jean Sébastien
AU - Chadwick, Alexander F.
AU - Lilleodden, Erica T.
AU - Thornton, Katsuyo
AU - Voorhees, Peter W.
N1 - Funding Information:
ACKNOWLEDGMENTS. We thank Ke Wang (Hamburg University of Technology; currently at University of Shanghai for Science and Technology) for the bulk NPG sample and Kaixiong Hu (Helmholtz-Zentrum Hereon; currently at Wuhan University of Technology) for the original 3D reconstruction of the NPG data. This work was supported by US Department of Energy Grants DEFG02-99ER45782 and DE-SC0015394; the Natural Sciences and Engineering Research Council of Canada (PGSD3-516809-2018); the Deutsche Forschungsgemeinschaft (German Research Foundation) Grants 192346071-SFB 986, 316662945, and 254889688; and the Agence National de la Recherche Grant ANR-16-CE92-0024. This research was supported in part through the computational resources and staff contributions provided for the Quest high-performance computing facility at Northwestern University, which is jointly supported by the Office of the Provost, the Office for Research, and Northwestern University Information Technology. Computational resources were also provided by the Extreme Science and Engineering Discovery Environment, which is supported by NSF Grant OCI-1053575, under allocation TG-DMR110007.
Funding Information:
ACKNOWLEDGMENTS. We thank Ke Wang (Hamburg University of Technology; currently at University of Shanghai for Science and Technology) for the bulk NPG sample and Kaixiong Hu (Helmholtz-Zentrum Hereon; currently at Wuhan University of Technology) for the original 3D reconstruction of the NPG data. This work was supported by US Department of Energy Grants DE-FG02-99ER45782 and DE-SC0015394; the Natural Sciences and Engineering Research Council of Canada (PGSD3-516809-2018); the Deutsche Forschungs-gemeinschaft (German Research Foundation) Grants 192346071-SFB 986, 316662945, and 254889688; and the Agence National de la Recherche Grant ANR-16-CE92-0024. This research was supported in part through the computational resources and staff contributions provided for the Quest high-performance computing facility at Northwestern University, which is jointly supported by the Office of the Provost, the Office for Research, and Northwestern University Information Technology. Computational resources were also provided by the Extreme Science and Engineering Discovery Environment, which is supported by NSF Grant OCI-1053575, under allocation TG-DMR110007.
Publisher Copyright:
© 2021 National Academy of Sciences. All rights reserved.
PY - 2021/7/27
Y1 - 2021/7/27
N2 - Grain boundary formation during coarsening of nanoporous gold (NPG) is investigated wherein a nanocrystalline structure can form by particles detaching and reattaching to the structure. MicroLaue and electron backscatter diffraction measurements demonstrate that an in-grain orientation spread develops as NPG is coarsened. The volume fraction of the NPG sample is near the limit of bicontinuity, at which simulations predict that a bicontinuous structure begins to fragment into independent particles during coarsening. Phase-field simulations of coarsening using a computationally generated structure with a volume fraction near the limit of bicontinuity are used to model particle detachment rates. This model is tested by using the measured NPG structure as an initial condition in the phase-field simulations. We predict that up to ∼5% of the NPG structure detaches as a dealloyed Ag75Au25 sample is annealed at 300 ◦C for 420 min. The quantity of volume detached is found to be highly dependent on the volume fraction and volume fraction homogeneity of the nanostructure. As the void phase in the experiments cannot support independent particles, they must fall and reattach to the structure, a process that results in the formation of new grain boundaries. This particle reattachment process, along with other classic processes, leads to the formation of grain boundaries during coarsening in nanoporous metals. The formation of grain boundaries can impact a variety of applications, including mechanical strengthening; thus, the consideration and understanding of particle detachment phenomena are essential when studying nanoporous metals.
AB - Grain boundary formation during coarsening of nanoporous gold (NPG) is investigated wherein a nanocrystalline structure can form by particles detaching and reattaching to the structure. MicroLaue and electron backscatter diffraction measurements demonstrate that an in-grain orientation spread develops as NPG is coarsened. The volume fraction of the NPG sample is near the limit of bicontinuity, at which simulations predict that a bicontinuous structure begins to fragment into independent particles during coarsening. Phase-field simulations of coarsening using a computationally generated structure with a volume fraction near the limit of bicontinuity are used to model particle detachment rates. This model is tested by using the measured NPG structure as an initial condition in the phase-field simulations. We predict that up to ∼5% of the NPG structure detaches as a dealloyed Ag75Au25 sample is annealed at 300 ◦C for 420 min. The quantity of volume detached is found to be highly dependent on the volume fraction and volume fraction homogeneity of the nanostructure. As the void phase in the experiments cannot support independent particles, they must fall and reattach to the structure, a process that results in the formation of new grain boundaries. This particle reattachment process, along with other classic processes, leads to the formation of grain boundaries during coarsening in nanoporous metals. The formation of grain boundaries can impact a variety of applications, including mechanical strengthening; thus, the consideration and understanding of particle detachment phenomena are essential when studying nanoporous metals.
KW - Nanoporous | particle detachment | coarsening | phase-field modeling | polycrystalline
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U2 - 10.1073/pnas.2104132118
DO - 10.1073/pnas.2104132118
M3 - Article
C2 - 34285076
AN - SCOPUS:85110962134
SN - 0027-8424
VL - 118
JO - Proceedings of the National Academy of Sciences of the United States of America
JF - Proceedings of the National Academy of Sciences of the United States of America
IS - 30
M1 - e2104132118
ER -