Rolling-induced Face Centered Cubic Titanium in Hexagonal Close Packed Titanium at Room Temperature

Wu, H. C.; Kumar, A.; Wang, J.; Bi, X. F.; Tomé, C. N.; Zhang, Z.; Mao, S. X.

doi:10.1038/srep24370

Rolling-induced Face Centered Cubic Titanium in Hexagonal Close Packed Titanium at Room Temperature

Journal Article · Tue Apr 12 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep24370· OSTI ID:1624829

Wu, H. C. ^[1]; Kumar, A. ^[2]; Wang, J. ^[3]; Bi, X. F. ^[4]; Tomé, C. N. ^[2]; Zhang, Z. ^[5]; Mao, S. X. ^[6]

Beihang Univ., Beijing (China). School of Materials Science and Engineering; DOE/OSTI
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division
Univ. of Nebraska, Lincoln, NE (United States). Mechanical and Materials Engineering
Beihang Univ., Beijing (China). School of Materials Science and Engineering
ZheJiang Univ. (China). State Key lab of Si Materials. Dept. of Materials Science
Univ. of Pittsburgh, PA (United States). Dept. of Mechanical Engineering and Materials Science

Combining transmission electron microscopes and density functional theory calculations, we report the nucleation and growth mechanisms of room temperature rolling induced face-centered cubic titanium (fcc-Ti) in polycrystalline hexagonal close packed titanium (hcp-Ti). Fcc-Ti and hcp-Ti take the orientation relation: $$\langle$$0001$$\rangle$$_hcp||$$\langle$$001$$\rangle$$_fcc and {$$10\bar{1}0$$} _hcp||{110}_fcc, different from the conventional one. The nucleation of fcc-Ti is accomplished via pure-shuffle mechanism with a minimum stable thickness of three atomic layers, and the growth via shear-shuffle mechanisms through gliding two-layer disconnections or pureshuffle mechanisms through gliding four-layer disconnections. Such phase transformation offers an additional plastic deformation mode comparable to twinning.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

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

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1624829

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (38)

Bulk submicrocrystalline ω-Ti produced by high-pressure torsion straining Todaka, Y.; Sasaki, J.; Moto, T. Scripta Materialia, Vol. 59, Issue 6 https://doi.org/10.1016/j.scriptamat.2008.05.015	journal	September 2008
The f.c.c. to h.c.p. martensitic phase transformation in CoNi studied by TEM and AFM methods Waitz, T.; Karnthaler, H. P. Acta Materialia, Vol. 45, Issue 2 https://doi.org/10.1016/s1359-6454(96)00184-x	journal	February 1997
Dynamic Process of Phase Transition from Wurtzite to Zinc Blende Structure in InAs Nanowires Zheng, He; Wang, Jian; Huang, Jian Yu Nano Letters, Vol. 13, Issue 12 https://doi.org/10.1021/nl403240r	journal	November 2013
High Resolution Transmission Electron Microscope Observation of Zero-Strain Deformation Twinning Mechanisms in Ag Liu, L.; Wang, J.; Gong, S. K. Physical Review Letters, Vol. 106, Issue 17 https://doi.org/10.1103/physrevlett.106.175504	journal	April 2011
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 cobalt transformation Houska, C. R.; Averbach, B. L.; Cohen, M. Acta Metallurgica, Vol. 8, Issue 2 https://doi.org/10.1016/0001-6160(60)90088-2	journal	February 1960
Deformation twinning Christian, J. W.; Mahajan, S. Progress in Materials Science, Vol. 39, Issue 1-2 https://doi.org/10.1016/0079-6425(94)00007-7	journal	January 1995
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
Defects at Surfaces and Interfaces Pond, R. C.; Hirth, J. P. Solid State Physics https://doi.org/10.1016/S0081-1947(08)60641-4	book	January 1994
Texture analysis in hexagonal materials Wang, Y. N.; Huang, J. C. Materials Chemistry and Physics, Vol. 81, Issue 1 https://doi.org/10.1016/S0254-0584(03)00168-8	journal	July 2003
Steps, dislocations and disconnections as interface defects relating to structure and phase transformations Hirth, J. P.; Pond, R. C. Acta Materialia, Vol. 44, Issue 12 https://doi.org/10.1016/S1359-6454(96)00132-2	journal	December 1996
The f.c.c. to h.c.p. martensitic phase transformation in CoNi studied by TEM and AFM methods Waitz, T.; Karnthaler, H. P. Acta Materialia, Vol. 45, Issue 2 https://doi.org/10.1016/S1359-6454(96)00184-X	journal	February 1997
In situ SEM-EBSD observations of the hcp to bcc phase transformation in commercially pure titanium Seward, G. G. E.; Celotto, S.; Prior, D. J. Acta Materialia, Vol. 52, Issue 4 https://doi.org/10.1016/j.actamat.2003.10.049	journal	February 2004
Strain-induced grain refinement of cobalt during surface mechanical attrition treatment Wu, X.; Tao, N.; Hong, Y. Acta Materialia, Vol. 53, Issue 3 https://doi.org/10.1016/j.actamat.2004.10.021	journal	February 2005
Detwinning mechanisms for growth twins in face-centered cubic metals Wang, J.; Li, N.; Anderoglu, O. Acta Materialia, Vol. 58, Issue 6 https://doi.org/10.1016/j.actamat.2009.12.013	journal	April 2010
Twinning dislocations on {1¯011} and {1¯013} planes in hexagonal close-packed crystals Wang, J.; Beyerlein, I. J.; Hirth, J. P. Acta Materialia, Vol. 59, Issue 10 https://doi.org/10.1016/j.actamat.2011.03.024	journal	June 2011
Twinning dislocation multiplication at a coherent twin boundary Li, N.; Wang, J.; Misra, A. Acta Materialia, Vol. 59, Issue 15 https://doi.org/10.1016/j.actamat.2011.06.007	journal	September 2011
Slip transmission across fcc/bcc interfaces with varying interface shear strengths Wang, J.; Misra, A.; Hoagland, R. G. Acta Materialia, Vol. 60, Issue 4 https://doi.org/10.1016/j.actamat.2011.11.047	journal	February 2012
First-principles study of energy and atomic solubility of twinning-associated boundaries in hexagonal metals Kumar, Anil; Wang, Jian; Tomé, Carlos N. Acta Materialia, Vol. 85 https://doi.org/10.1016/j.actamat.2014.11.015	journal	February 2015
A crystal plasticity model for hexagonal close packed (HCP) crystals including twinning and de-twinning mechanisms Wang, H.; Wu, P. D.; Wang, J. International Journal of Plasticity, Vol. 49 https://doi.org/10.1016/j.ijplas.2013.02.016	journal	October 2013
Stress-induced FCC ↔ HCP martensitic transformation in CoNi Liu, Yinong; Yang, Hong; Tan, Geraldine Journal of Alloys and Compounds, Vol. 368, Issue 1-2 https://doi.org/10.1016/j.jallcom.2003.07.015	journal	April 2004
Microstructural evolution and formation mechanism of FCC titanium during heat treatment processing Jing, R.; Liu, C. Y.; Ma, M. Z. Journal of Alloys and Compounds, Vol. 552 https://doi.org/10.1016/j.jallcom.2012.10.083	journal	March 2013
Allotropic phase transformation of pure zirconium by high-pressure torsion Edalati, Kaveh; Horita, Zenji; Yagi, Shunsuke Materials Science and Engineering: A, Vol. 523, Issue 1-2 https://doi.org/10.1016/j.msea.2009.07.029	journal	October 2009
The effects of texture and extension twinning on the low-cycle fatigue behavior of a rolled magnesium alloy, AZ31B Wu, L.; Agnew, S. R.; Ren, Y. Materials Science and Engineering: A, Vol. 527, Issue 26 https://doi.org/10.1016/j.msea.2010.07.047	journal	October 2010
Analysis of twinning behavior of pure Ti compressed at different strain rates by Schmid factor Deng, X. G.; Hui, S. X.; Ye, W. J. Materials Science and Engineering: A, Vol. 575 https://doi.org/10.1016/j.msea.2013.03.031	journal	July 2013
Interface defects, reference spaces and the Frank–Bilby equation Hirth, J. P.; Pond, R. C.; Hoagland, R. G. Progress in Materials Science, Vol. 58, Issue 5 https://doi.org/10.1016/j.pmatsci.2012.10.002	journal	June 2013
Phase stability and its effect on the deformation behavior of Ti–Nb–Ta–In/Cr β alloys Xu, W.; Kim, K. B.; Das, J. Scripta Materialia, Vol. 54, Issue 11 https://doi.org/10.1016/j.scriptamat.2006.02.002	journal	June 2006
Stress-induced hexagonal close-packed to face-centered cubic phase transformation in commercial-purity titanium under cryogenic plane-strain compression Hong, D. H.; Lee, T. W.; Lim, S. H. Scripta Materialia, Vol. 69, Issue 5 https://doi.org/10.1016/j.scriptamat.2013.05.038	journal	September 2013
Transformation strains in martensitic phase transitions of Co alloys Waitz, T.; Karnthaler, H. P. Phase Transitions, Vol. 67, Issue 4 https://doi.org/10.1080/01411599908224504	journal	January 1999
Twinning and De-twinning via Glide and Climb of Twinning Dislocations along Serrated Coherent Twin Boundaries in Hexagonal-close-packed Metals Wang, J.; Liu, L.; Tomé, C. N. Materials Research Letters, Vol. 1, Issue 2 https://doi.org/10.1080/21663831.2013.779601	journal	February 2013
Pure-Shuffle Nucleation of Deformation Twins in Hexagonal-Close-Packed Metals Wang, J.; Yadav, S. K.; Hirth, J. P. Materials Research Letters, Vol. 1, Issue 3 https://doi.org/10.1080/21663831.2013.792019	journal	September 2013
Nucleation of elementary $\{\bar {1}\,0\,1\,1\}$ and $\{\bar {1}\,0\,1\,3\}$ twinning dislocations at a twin boundary in hexagonal close-packed crystals Wang, J.; Beyerlein, I. J.; Hirth, J. P. Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 2 https://doi.org/10.1088/0965-0393/20/2/024001	journal	February 2012
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
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
High Resolution Transmission Electron Microscope Observation of Zero-Strain Deformation Twinning Mechanisms in Ag Liu, L.; Wang, J.; Gong, S. K. Physical Review Letters, Vol. 106, Issue 17 https://doi.org/10.1103/PhysRevLett.106.175504	journal	April 2011
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

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