Origin of dramatic oxygen solute strengthening effect in titanium

Yu, Qian; Qi, Liang; Tsuru, Tomohito; Traylor, Rachel; Rugg, David; Morris, Jr., J. W.; Asta, Mark; Chrzan, D. C.; Minor, Andrew M.

doi:10.1126/science.1260485

Origin of dramatic oxygen solute strengthening effect in titanium

Journal Article · Thu Feb 05 23:00:00 EST 2015 · Science

DOI:https://doi.org/10.1126/science.1260485· OSTI ID:1353290

Yu, Qian ^[1]; Qi, Liang ^[2]; Tsuru, Tomohito ^[3]; Traylor, Rachel ^[2]; Rugg, David ^[4]; Morris, Jr., J. W. ^[2]; Asta, Mark ^[2]; Chrzan, D. C. ^[2]; Minor, Andrew M. ^[1]

Department of Materials Science and Engineering, University of California, Berkeley, CA, USA., National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
Department of Materials Science and Engineering, University of California, Berkeley, CA, USA.
Nuclear Science and Engineering Directorate, Japan Atomic Energy, Tokai-mura, Ibaraki, Japan.
Rolls Royce, Derby DE24 8BJ, UK.

Screw dislocations: A hard case to crack

The motion of dislocations or defects in a metal influences its strength and toughness. If these defects can be “pinned” by adding alloying elements, it should be possible to create a stronger alloy. It was thought that there shouldn't be much of an interaction between screw dislocations and any alloying elements. However, Yu et al. show that for α-Ti, the profound hardening effect of oxygen is due to the strong interactions with the core of the dislocations. First-principles calculations reveal that distortion of the interstitial sites at the dislocation core creates a very strong but short-range repulsion for oxygen atoms.

Science , this issue p. 635

View Journal Article

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1353290

Journal Information:: Science, Journal Name: Science Journal Issue: 6222 Vol. 347; ISSN 0036-8075

Publisher:: American Association for the Advancement of Science (AAAS)Copyright Statement

Country of Publication:: United States

Language:: English

References (34)

A Statistical Theory of Solid Solution Hardening Labusch, R. physica status solidi (b), Vol. 41, Issue 2 https://doi.org/10.1002/pssb.19700410221	journal	January 1970
Solution hardening by tetragonal dist ortions: Application to irradiation hardening in F.C.C. crystals Fleischer, Robert L. Acta Metallurgica, Vol. 10, Issue 9 https://doi.org/10.1016/0001-6160(62)90098-6	journal	September 1962
Solution hardening of titanium by oxygen Tyson, W. R. Scripta Metallurgica, Vol. 3, Issue 12 https://doi.org/10.1016/0036-9748(69)90241-5	journal	December 1969
Effect of interstitial solutes on the strength and ductility of titanium Conrad, Hans Progress in Materials Science, Vol. 26, Issue 2-4 https://doi.org/10.1016/0079-6425(81)90001-3	journal	January 1981
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Effect of nitrogen on generalized stacking fault energy and stacking fault widths in high nitrogen steels Kibey, S.; Liu, J. B.; Curtis, M. J. Acta Materialia, Vol. 54, Issue 11 https://doi.org/10.1016/j.actamat.2006.02.048	journal	June 2006
First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties Yasi, Joseph A.; Hector, Louis G.; Trinkle, Dallas R. Acta Materialia, Vol. 58, Issue 17 https://doi.org/10.1016/j.actamat.2010.06.045	journal	October 2010
Core structure of a screw dislocation in Ti from density functional theory and classical potentials Ghazisaeidi, M.; Trinkle, D. R. Acta Materialia, Vol. 60, Issue 3 https://doi.org/10.1016/j.actamat.2011.11.024	journal	February 2012
Interaction of oxygen interstitials with lattice faults in Ti Ghazisaeidi, M.; Trinkle, D. R. Acta Materialia, Vol. 76 https://doi.org/10.1016/j.actamat.2014.05.025	journal	September 2014
Generalized-stacking-fault energy and surface properties for HCP metals: A first-principles study Wu, Xiaozhi; Wang, Rui; Wang, Shaofeng Applied Surface Science, Vol. 256, Issue 11 https://doi.org/10.1016/j.apsusc.2009.12.042	journal	March 2010
Elasticity effects in electronic structure calculations with periodic boundary conditions Daw, Murray S. Computational Materials Science, Vol. 38, Issue 2 https://doi.org/10.1016/j.commatsci.2006.02.009	journal	December 2006
Visualization of grain boundary/dislocation interactions using tomographic reconstructions Kacher, J. P.; Liu, G. S.; Robertson, I. M. Scripta Materialia, Vol. 64, Issue 7 https://doi.org/10.1016/j.scriptamat.2010.12.020	journal	April 2011
Detection of Single Atoms and Buried Defects in Three Dimensions by Aberration-Corrected Electron Microscope with 0.5-Å Information Limit Kisielowski, C.; Freitag, B.; Bischoff, M. Microscopy and Microanalysis, Vol. 14, Issue 5 https://doi.org/10.1017/S1431927608080902	journal	September 2008
The Nanostructured Origin of Deformation Twinning Yu, Qian; Qi, Liang; Chen, Kai Nano Letters, Vol. 12, Issue 2 https://doi.org/10.1021/nl203937t	journal	January 2012
Strong crystal size effect on deformation twinning Yu, Qian; Shan, Zhi-Wei; Li, Ju Nature, Vol. 463, Issue 7279 https://doi.org/10.1038/nature08692	journal	January 2010
Quantitative prediction of solute strengthening in aluminium alloys Leyson, Gerard Paul M.; Curtin, William A.; Hector, Louis G. Nature Materials, Vol. 9, Issue 9 https://doi.org/10.1038/nmat2813	journal	August 2010
Interaction of Parallel Dislocations in a Hexagonal Crystal Chou, Y. T. Journal of Applied Physics, Vol. 33, Issue 9 https://doi.org/10.1063/1.1702541	journal	September 1962
Periodic image effects in dislocation modelling Cai, Wei; Bulatob, Vasily V.; Chang, Jinpeng Philosophical Magazine, Vol. 83, Issue 5 https://doi.org/10.1080/0141861021000051109	journal	January 2003
Intrinsic stacking faults in body-centred cubic crystals Vítek, V. Philosophical Magazine, Vol. 18, Issue 154 https://doi.org/10.1080/14786436808227500	journal	October 1968
The theory of solution hardening Nabarro, F. R. N. Philosophical Magazine, Vol. 35, Issue 3 https://doi.org/10.1080/14786437708235994	journal	March 1977
Problems in solid solution hardening Neuhäuser, H. Physica Scripta, Vol. T49B https://doi.org/10.1088/0031-8949/1993/T49B/005	journal	January 1993
Solution softening in magnesium alloys: the effect of solid solutions on the dislocation core structure and nonbasal slip Tsuru, T.; Udagawa, Y.; Yamaguchi, M. Journal of Physics: Condensed Matter, Vol. 25, Issue 2 https://doi.org/10.1088/0953-8984/25/2/022202	journal	December 2012
Background, status and future of the Transmission Electron Aberration-corrected Microscope project Dahmen, U.; Erni, R.; Radmilovic, V. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 367, Issue 1903, p. 3795-3808 https://doi.org/10.1098/rsta.2009.0094	journal	August 2009
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
High-precision sampling for Brillouin-zone integration in metals Methfessel, M.; Paxton, A. T. Physical Review B, Vol. 40, Issue 6 https://doi.org/10.1103/PhysRevB.40.3616	journal	August 1989
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Generalized-stacking-fault energy surface and dislocation properties of aluminum Lu, Gang; Kioussis, Nicholas; Bulatov, Vasily V. Physical Review B, Vol. 62, Issue 5 https://doi.org/10.1103/PhysRevB.62.3099	journal	August 2000
Direct Diffusion through Interpenetrating Networks: Oxygen in Titanium Wu, Henry H.; Trinkle, Dallas R. Physical Review Letters, Vol. 107, Issue 4 https://doi.org/10.1103/PhysRevLett.107.045504	journal	July 2011
Atomic and electronic structures of the 90° partial dislocation in silicon Bigger, J. R. K.; McInnes, D. A.; Sutton, A. P. Physical Review Letters, Vol. 69, Issue 15 https://doi.org/10.1103/PhysRevLett.69.2224	journal	October 1992
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
The Peierls Stress of Dislocations: An Analytic Formula Joós, B.; Duesbery, M. S. Physical Review Letters, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevLett.78.266	journal	January 1997
Effect of oxygen and hydrogen on mechanical properties of commercial purity titanium Wasz, M. L.; Brotzen, F. R.; McLellan, R. B. International Materials Reviews, Vol. 41, Issue 1 https://doi.org/10.1179/imr.1996.41.1.1	journal	January 1996

Similar Records

Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)

Journal Article · Thu Feb 05 23:00:00 EST 2015 · Science · OSTI ID:1353295

Assembly of micro/nanomaterials into complex, three-dimensional architectures by compressive buckling

Journal Article · Thu Jan 08 23:00:00 EST 2015 · Science · OSTI ID:2280416

Using all energy in a battery

Journal Article · Thu Jan 08 23:00:00 EST 2015 · Science · OSTI ID:1352988

Origin of dramatic oxygen solute strengthening effect in titanium

Citation Formats

References (34)

Similar Records

Related Subjects