Role of twinning on the omega-phase transformation and stability in zirconium

Mariyappan, Arul Kumar; Hilairet, N.; McCabe, Rodney James; Yu, T.; Wang, Y.; Beyerlein, I. J.; Tomé, Carlos N.

doi:10.1016/j.actamat.2019.12.006

Title: Role of twinning on the omega-phase transformation and stability in zirconium

Journal Article · Thu Dec 05 00:00:00 EST 2019 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2019.12.006· OSTI ID:1579697

^[1]; Hilairet, N. ^[2];

^[1]; Yu, T. ^[3]; Wang, Y. ^[3]; Beyerlein, I. J. ^[4]; Tomé, Carlos N. ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Université de Lille (France)
Univ. of Chicago, IL (United States)
Univ. of California, Santa Barbara, CA (United States)

Typically, Group-IV transition metal zirconium is used in nuclear and chemical industries as a choice material for operating in extreme environments. At ambient-conditions, zirconium has a stable hexagonal-close-packed structure (α-phase), but under high-pressures it transforms into a simple-hexagonal structure (ω-phase). Experimental research involving high-pressures have reported retention of ω-phase upon recovery to ambient-pressures, which is undesirable since the ω-phase is brittle compared to the α-phase. Understanding the α-to-ω transformation is relevant for enhancing the applicability of transition metals. In this work using in-situ synchrotron X-ray diffraction, we show that deformation twins in the α-phase lower the transformation pressure and increase the amount of retained ω-phase. Our analysis concludes that the characteristics of the stress fields associated with the twins promote the α-to-ω transformation while making the reverse transformation energetically unfavorable. This work reflects a plausible way to design Zr microstructure for high-pressure applications via controlling twinning and retained ω-phase.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: 89233218CNA000001; AC02-06CH11357

OSTI ID:: 1579697

Alternate ID(s):: OSTI ID: 1579433

Report Number(s):: LA-UR-18-24949

Journal Information:: Acta Materialia, Vol. 185, Issue C; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 11 works

Citation information provided by
Web of Science

References (44)

Rietveld texture analysis from synchrotron diffraction images. I. Calibration and basic analysis Lutterotti, Luca; Vasin, Roman; Wenk, Hans-Rudolf Powder Diffraction, Vol. 29, Issue 1 https://doi.org/10.1017/s0885715613001346	journal	January 2014
A model for texture development dominated by deformation twinning: Application to zirconium alloys Tomé, C. N.; Lebensohn, R. A.; Kocks, U. F. Acta Metallurgica et Materialia, Vol. 39, Issue 11 https://doi.org/10.1016/0956-7151(91)90083-d	journal	November 1991
Effects of interstitial impurities on the high pressure martensitic α to ω structural transformation and grain growth in zirconium Velisavljevic, Nenad; Chesnut, Gary N.; Stevens, Lewis L. Journal of Physics: Condensed Matter, Vol. 23, Issue 12 https://doi.org/10.1088/0953-8984/23/12/125402	journal	March 2011
Solid-Solid Transitions in Titanium and Zirconium at High Pressures Jayaraman, A.; Klement, W.; Kennedy, G. C. Physical Review, Vol. 131, Issue 2 https://doi.org/10.1103/physrev.131.644	journal	July 1963
Rietveld texture analysis from synchrotron diffraction images. II. Complex multiphase materials and diamond anvil cell experiments Wenk, Hans-Rudolf; Lutterotti, Luca; Kaercher, Pamela Powder Diffraction, Vol. 29, Issue 3 https://doi.org/10.1017/s0885715614000360	journal	May 2014
Segregation-induced phase transformations in grain boundaries Frolov, T.; Asta, M.; Mishin, Y. Physical Review B, Vol. 92, Issue 2 https://doi.org/10.1103/physrevb.92.020103	journal	July 2015
Shock waves in polycrystalline iron: Plasticity and phase transitions Gunkelmann, Nina; Bringa, Eduardo M.; Tramontina, Diego R. Physical Review B, Vol. 89, Issue 14 https://doi.org/10.1103/physrevb.89.140102	journal	April 2014
Crystal Structures of Titanium, Zirconium, and Hafnium at High Pressures Jamieson, J. C. Science, Vol. 140, Issue 3562 https://doi.org/10.1126/science.140.3562.72	journal	April 1963
Electronic structure of omega phase of titanium and zirconium Vohra, Y. K.; Sikka, S. K.; Chidambaram, R. Journal of Physics F: Metal Physics, Vol. 9, Issue 9 https://doi.org/10.1088/0305-4608/9/9/008	journal	September 1979
In vitro biocompatibility of an ultrafine grained zirconium Saldana, L.; Mendezvilas, A.; Jiang, L. Biomaterials, Vol. 28, Issue 30 https://doi.org/10.1016/j.biomaterials.2007.06.015	journal	October 2007
Omega phase in materials Sikka, S. K.; Vohra, Y. K.; Chidambaram, R. Progress in Materials Science, Vol. 27, Issue 3-4 https://doi.org/10.1016/0079-6425(82)90002-0	journal	January 1982
First-principles study of crystallographic slip modes in ω-Zr Kumar, Anil; Kumar, M. Arul; Beyerlein, Irene J. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-09153-w	journal	August 2017
The influence of phase and substructural evolution during dynamic loading on subsequent mechanical properties of zirconium Cerreta, E. K.; Escobedo, J. P.; Rigg, P. A. Acta Materialia, Vol. 61, Issue 20 https://doi.org/10.1016/j.actamat.2013.09.009	journal	December 2013
Pressure-induced transition in titanium metal a systematic study of the effects of uniaxial stress Errandonea, Daniel; Meng, Y.; Somayazulu, M. Physica B: Condensed Matter, Vol. 355, Issue 1-4, p. 116-125 https://doi.org/10.1016/j.physb.2004.10.030	journal	January 2005
Orientation Relations During the $α$ - $ω$ Phase Transition of Zirconium: In Situ Texture Observations at High Pressure and Temperature Wenk, H. -R.; Kaercher, P.; Kanitpanyacharoen, W. Physical Review Letters, Vol. 111, Issue 19 https://doi.org/10.1103/PhysRevLett.111.195701	journal	November 2013
Impurity effects on the phase transformations and equations of state of zirconium metals Zhang, Jianzhong; Zhao, Yusheng; Rigg, Paulo A. Journal of Physics and Chemistry of Solids, Vol. 68, Issue 12 https://doi.org/10.1016/j.jpcs.2007.06.016	journal	December 2007
Shock and Microstructural Characterization of the $$\alpha$$ α – $$\omega$$ ω Phase Transition in Titanium Crystals Morrow, Benjamin M.; Rigg, Paulo A.; Jones, David R. Journal of Dynamic Behavior of Materials, Vol. 3, Issue 4 https://doi.org/10.1007/s40870-017-0129-z	journal	September 2017
Bulk nanocrystalline ω-Zr by high-pressure torsion Pérez-Prado, M. T.; Gimazov, A. A.; Ruano, O. A. Scripta Materialia, Vol. 58, Issue 3 https://doi.org/10.1016/j.scriptamat.2007.09.043	journal	February 2008
Effect of Nb additions on the microstructure, thermal stability and mechanical behavior of high pressure Zr phases under ambient conditions Zhilyaev, A. P.; Sabirov, I.; González-Doncel, G. Materials Science and Engineering: A, Vol. 528, Issue 9 https://doi.org/10.1016/j.msea.2011.01.062	journal	April 2011
Impurities block the α to ω martensitic transformation in titanium Hennig, Richard G.; Trinkle, Dallas R.; Bouchet, Johann Nature Materials, Vol. 4, Issue 2 https://doi.org/10.1038/nmat1292	journal	January 2005
Pressure-induced kinetics of the α to ω transition in zirconium Jacobsen, M. K.; Velisavljevic, N.; Sinogeikin, S. V. Journal of Applied Physics, Vol. 118, Issue 2 https://doi.org/10.1063/1.4926724	journal	July 2015
Influence of temperature and strain rate on slip and twinning behavior of zr Song, S. G.; Gray, G. T. Metallurgical and Materials Transactions A, Vol. 26, Issue 10 https://doi.org/10.1007/BF02669423	journal	October 1995
The shock and spall response of three industrially important hexagonal close-packed metals: magnesium, titanium and zirconium Hazell, P. J.; Appleby-Thomas, G. J.; Wielewski, E. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 372, Issue 2023 https://doi.org/10.1098/rsta.2013.0204	journal	August 2014
Isothermal annealing of shocked zirconium: Stability of the two-phase $α / ω$ microstructure Low, T. S. E.; Brown, D. W.; Welk, B. A. Acta Materialia, Vol. 91 https://doi.org/10.1016/j.actamat.2015.03.031	journal	June 2015
Twin boundary activated α → ω phase transformation in titanium under shock compression Zong, Hongxiang; Ding, Xiangdong; Lookman, Turab Acta Materialia, Vol. 115 https://doi.org/10.1016/j.actamat.2016.05.037	journal	August 2016
Rolling-induced Face Centered Cubic Titanium in Hexagonal Close Packed Titanium at Room Temperature Wu, H. C.; Kumar, A.; Wang, J. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep24370	journal	April 2016
The role of grain boundary structure in stress-induced phase transformation in UO ₂ Desai, Tapan G.; Nerikar, Pankaj; Uberuaga, Blas P. Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 6 https://doi.org/10.1088/0965-0393/17/6/064001	journal	August 2009
Dependence of stress-induced omega transition and mechanical twinning on phase stability in metastable β Ti–V alloys Wang, X. L.; Li, L.; Mei, W. Materials Characterization, Vol. 107 https://doi.org/10.1016/j.matchar.2015.06.038	journal	September 2015
Zigzag configuration of mechanical twin and stress-induced omega phase in metastable β Ti–34Nb (at.%) alloy Li, L.; Mei, W.; Xing, H. Journal of Alloys and Compounds, Vol. 625 https://doi.org/10.1016/j.jallcom.2014.11.082	journal	March 2015
Stress release-induced interfacial twin boundary ω phase formation in a β type Ti-based single crystal displaying stress-induced α” martensitic transformation Yang, Y.; Castany, P.; Bertrand, E. Acta Materialia, Vol. 149 https://doi.org/10.1016/j.actamat.2018.02.036	journal	May 2018
The influence of crystallographic texture and interstitial impurities on the mechanical behavior of zirconium Kaschner, G. C.; Gray, G. T. Metallurgical and Materials Transactions A, Vol. 31, Issue 8 https://doi.org/10.1007/s11661-000-0227-7	journal	August 2000
Nucleation and growth of twins in Zr: A statistical study Capolungo, L.; Marshall, P. E.; McCabe, R. J. Acta Materialia, Vol. 57, Issue 20 https://doi.org/10.1016/j.actamat.2009.08.030	journal	December 2009
The deformation-DIA: A new apparatus for high temperature triaxial deformation to pressures up to 15 GPa Wang, Yanbin; Durham, William B.; Getting, Ivan C. Review of Scientific Instruments, Vol. 74, Issue 6 https://doi.org/10.1063/1.1570948	journal	June 2003
Combined texture and structure analysis of deformed limestone from time-of-flight neutron diffraction spectra Lutterotti, L.; Matthies, S.; Wenk, H. -R. Journal of Applied Physics, Vol. 81, Issue 2 https://doi.org/10.1063/1.364220	journal	January 1997
Thermal equations of state of the $α$ , $β$ , and $ω$ phases of zirconium Zhao, Yusheng; Zhang, Jianzhong; Pantea, Cristian Physical Review B, Vol. 71, Issue 18 https://doi.org/10.1103/PhysRevB.71.184119	journal	May 2005
Role of microstructure on twin nucleation and growth in HCP titanium: A statistical study Arul Kumar, M.; Wroński, M.; McCabe, R. J. Acta Materialia, Vol. 148 https://doi.org/10.1016/j.actamat.2018.01.041	journal	April 2018
Deformation twinning and grain partitioning in a hexagonal close-packed magnesium alloy Arul Kumar, M.; Clausen, B.; Capolungo, L. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07028-w	journal	November 2018
Numerical study of the stress state of a deformation twin in magnesium Arul Kumar, M.; Kanjarla, A. K.; Niezgoda, S. R. Acta Materialia, Vol. 84 https://doi.org/10.1016/j.actamat.2014.10.048	journal	February 2015
Effect of local stress fields on twin characteristics in HCP metals Arul Kumar, M.; Beyerlein, I. J.; Tomé, C. N. Acta Materialia, Vol. 116 https://doi.org/10.1016/j.actamat.2016.06.042	journal	September 2016
The kinetics of the ω to α phase transformation in Zr, Ti: Analysis of data from shock-recovered samples and atomistic simulations Zong, Hongxiang; Lookman, Turab; Ding, Xiangdong Acta Materialia, Vol. 77 https://doi.org/10.1016/j.actamat.2014.05.049	journal	September 2014
Plastic deformation of zirconium single crystals Akhtar, A.; Teghtsoonian, A. Acta Metallurgica, Vol. 19, Issue 7 https://doi.org/10.1016/0001-6160(71)90019-8	journal	July 1971
A dislocation-based constitutive law for pure Zr including temperature effects Beyerlein, I. J.; Tomé, C. N. International Journal of Plasticity, Vol. 24, Issue 5 https://doi.org/10.1016/j.ijplas.2007.07.017	journal	May 2008
The influence of β phase stability on deformation mode and compressive mechanical properties of Ti–10V–3Fe–3Al alloy Ahmed, Mansur; Wexler, David; Casillas, Gilberto Acta Materialia, Vol. 84 https://doi.org/10.1016/j.actamat.2014.10.043	journal	February 2015
Strain rate dependence of deformation-induced transformation and twinning in a metastable titanium alloy Ahmed, Mansur; Wexler, David; Casillas, Gilberto Acta Materialia, Vol. 104 https://doi.org/10.1016/j.actamat.2015.11.026	journal	February 2016

Similar Records

Shock-reshock of zirconium to explore the effect of microstructure on the alpha-omega phase transformation

Journal Article · Thu Sep 09 00:00:00 EDT 2021 · EPJ Web of Conferences (Online) · OSTI ID:1579697

Morrow, Benjamin Mark; Escobedo-Diaz, Juan P.; Jones, David Robert; +6 more

Coupled strain-induced alpha to omega phase transformation and plastic flow in zirconium under high pressure torsion in a rotational diamond anvil cell

Journal Article · Tue Jun 19 00:00:00 EDT 2018 · Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing · OSTI ID:1579697

Feng, Biao; Levitas, Valery I.; Kamrani, Mehdi

High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling

Journal Article · Tue Jul 28 00:00:00 EDT 2015 · Scientific Reports · OSTI ID:1579697

Yu, Xiaohui; Zhang, Ruifeng; Weldon, David; +9 more

Related Subjects

36 MATERIALS SCIENCE
Phase transformation
High pressure
Zirconium
X-ray diffraction

Title: Role of twinning on the omega-phase transformation and stability in zirconium

Citation Formats

References (44)

Similar Records

Related Subjects