Insights into grain boundary energy structure-property relationships by examining computed [100] disorientation axis grain boundaries in Nickel

Erickson, Hunter C.; Homer, Eric R.

doi:10.1016/j.scriptamat.2020.03.062

Insights into grain boundary energy structure-property relationships by examining computed [100] disorientation axis grain boundaries in Nickel

Journal Article · Tue May 19 00:00:00 EDT 2020 · Scripta Materialia

DOI:https://doi.org/10.1016/j.scriptamat.2020.03.062· OSTI ID:1657149

Erickson, Hunter C. ^[1]; ^[2]

Brigham Young University, Provo, UT (United States); Brigham Young University
Brigham Young University, Provo, UT (United States)

A study of 346 computed [100] disorientation axis grain boundaries provides insight into grain boundary energy structure-property relationships. The grain boundaries come from 6 coincidence site lattice misorientations at regularly spaced disorientation angles, and cover the full range of boundary plane orientations. The computed energy has clear trends in disorientation angle and boundary plane orientation. Here, the data are used to reexamine the 'special' attribute frequently applied to low Σ coincidence site lattice misorientations and low-angle boundaries and to assess the accuracy of a face-centered cubic grain boundary energy function.

View Accepted Manuscript (DOE)

Research Organization:: Brigham Young University, Provo, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0016441

OSTI ID:: 1657149

Alternate ID(s):: OSTI ID: 1780332

Journal Information:: Scripta Materialia, Journal Name: Scripta Materialia Vol. 185; ISSN 1359-6462

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (25)

[100] disorientation axis grain boundary energies and structures Homer, Eric R. Mendeley https://doi.org/10.17632/bz46sgxm8g	dataset	January 2020
Dense Mg x Ni1−x O nanocubes with special grain boundaries and paracrystalline distribution of defect clusters by pulsed laser ablation Wu, Ren-Hao; Lin, Shih-Siang; Shen, Pouyan Applied Physics A, Vol. 120, Issue 3 https://doi.org/10.1007/s00339-015-9287-9	journal	June 2015
Grain boundary energy anisotropy: a review Rohrer, Gregory S. Journal of Materials Science, Vol. 46, Issue 18 https://doi.org/10.1007/s10853-011-5677-3	journal	September 2011
Overview no. 61 On geometric criteria for low interfacial energy Sutton, A. P.; Balluffi, R. W. Acta Metallurgica, Vol. 35, Issue 9 https://doi.org/10.1016/0001-6160(87)90067-8	journal	September 1987
Structure-energy correlation for grain boundaries in F.C.C. metals—I. Boundaries on the (111) and (100) planes Wolf, D. Acta Metallurgica, Vol. 37, Issue 7 https://doi.org/10.1016/0001-6160(89)90082-5	journal	July 1989
Structure-energy correlation for grain boundaries in f.c.c. metals—II. Boundaries on the (110) and (113) planes Wolf, D. Acta Metallurgica, Vol. 37, Issue 10 https://doi.org/10.1016/0001-6160(89)90317-9	journal	October 1989
High angle grain boundary energy cusps - a dislocation interpretation Pumphrey, P. H. Scripta Metallurgica, Vol. 9, Issue 2 https://doi.org/10.1016/0036-9748(75)90585-2	journal	February 1975
A vector thermodynamics for anisotropic surfaces Hoffman, David W.; Cahn, John W. Surface Science, Vol. 31 https://doi.org/10.1016/0039-6028(72)90268-3	journal	June 1972
Structure-energy correlation for grain boundaries in F.C.C. metals—III. Symmetrical tilt boundaries Wolf, D. Acta Metallurgica et Materialia, Vol. 38, Issue 5 https://doi.org/10.1016/0956-7151(90)90030-K	journal	May 1990
Structure-energy correlation for grain boundaries in f.c.c. metals—IV. Asymmetrical twist (general) boundaries Wolf, D. Acta Metallurgica et Materialia, Vol. 38, Issue 5 https://doi.org/10.1016/0956-7151(90)90031-B	journal	May 1990
Grain assemblage in polycrystals Randle, V. Acta Metallurgica et Materialia, Vol. 42, Issue 6 https://doi.org/10.1016/0956-7151(94)90003-5	journal	June 1994
Computation of grain boundary stiffness and mobility from boundary fluctuations Foiles, S.; Hoyt, J. Acta Materialia, Vol. 54, Issue 12 https://doi.org/10.1016/j.actamat.2006.03.037	journal	July 2006
Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy Olmsted, David L.; Foiles, Stephen M.; Holm, Elizabeth A. Acta Materialia, Vol. 57, Issue 13 https://doi.org/10.1016/j.actamat.2009.04.007	journal	August 2009
Comparing calculated and measured grain boundary energies in nickel Rohrer, Gregory S.; Holm, Elizabeth A.; Rollett, Anthony D. Acta Materialia, Vol. 58, Issue 15 https://doi.org/10.1016/j.actamat.2010.05.042	journal	September 2010
Grain boundary energy function for fcc metals Bulatov, Vasily V.; Reed, Bryan W.; Kumar, Mukul Acta Materialia, Vol. 65 https://doi.org/10.1016/j.actamat.2013.10.057	journal	February 2014
Grain boundary energies in body-centered cubic metals Ratanaphan, Sutatch; Olmsted, David L.; Bulatov, Vasily V. Acta Materialia, Vol. 88 https://doi.org/10.1016/j.actamat.2015.01.069	journal	April 2015
The five-parameter grain boundary curvature distribution in an austenitic and ferritic steel Zhong, Xiaoting; Rowenhorst, David J.; Beladi, Hossein Acta Materialia, Vol. 123 https://doi.org/10.1016/j.actamat.2016.10.030	journal	January 2017
A simple faceting model for the interfacial and cleavage energies of Σ 3 grain boundaries in the complete boundary plane orientation space Banadaki, Arash Dehghan; Patala, Srikanth Computational Materials Science, Vol. 112 https://doi.org/10.1016/j.commatsci.2015.09.062	journal	February 2016
Special grain boundaries in the nugget zone of friction stir welded AA6061-T6 under various welding parameters Tao, Wang; Yong, Zou; Xuemei, Liu Materials Science and Engineering: A, Vol. 671 https://doi.org/10.1016/j.msea.2016.06.050	journal	August 2016
‘Special’ boundaries and grain boundary plane engineering Randle, Valerie Scripta Materialia, Vol. 54, Issue 6 https://doi.org/10.1016/j.scriptamat.2005.11.050	journal	March 2006
Grain Boundary Plane Orientation Fundamental Zones and Structure-Property Relationships Homer, Eric R.; Patala, Srikanth; Priedeman, Jonathan L. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15476	journal	October 2015
Symmetries in the representation of grain boundary-plane distributions Patala, Srikanth; Schuh, Christopher A. Philosophical Magazine, Vol. 93, Issue 5 https://doi.org/10.1080/14786435.2012.722700	journal	February 2013
Grain boundary engineering: an overview after 25 years Randle, V. Materials Science and Technology, Vol. 26, Issue 3 https://doi.org/10.1179/026708309X12601952777747	journal	March 2010
Symmetric and asymmetric tilt grain boundary structure and energy in Cu and Al (and transferability to other fcc metals) Tschopp, Mark A.; Coleman, Shawn P.; McDowell, David L. Integrating Materials and Manufacturing Innovation, Vol. 4, Issue 1 https://doi.org/10.1186/s40192-015-0040-1	journal	October 2015
The distribution of internal interfaces in polycrystals Rohrer, Gregory S.; Saylor, David M.; Dasher, Bassem El Zeitschrift für Metallkunde, Vol. 95, Issue 4 https://doi.org/10.3139/146.017934	journal	April 2004

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36 MATERIALS SCIENCE
Atomistic simulations
Grain boundaries
Nickel

Insights into grain boundary energy structure-property relationships by examining computed [100] disorientation axis grain boundaries in Nickel

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