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

Abstract

We studied the phase-transition induced texture changes and strengthening mechanism for zirconium metal under quasi-hydrostatic compression and uni-axial deformation under confined high pressure using the deformation-DIA (D-DIA) apparatus. It is shown that the experimentally obtained texture for ω-phase Zr can be qualitatively described by combining a subset of orientation variants previously proposed in two different models. The determined flow stress for the high-pressure ω-phase is 0.5–1.2GPa, more than three times higher than that of the α-phase. Using first-principles calculations, we investigated the mechanical and electronic properties of the two Zr polymorphs. We find that the observed strengthening can be attributed to the relatively strong directional bonding in the ω phase, which significantly increases its shear plastic resistance over the α-phase Zr. As a result, the present findings provide an alternate route for Zr metal strengthening by high-pressure phase transformation.

Authors:
 [1];  [2];  [3];  [3];  [3];  [3];  [4];  [3];  [5];  [6];  [7];  [8]
+ Show Author Affiliations
  1. Chinese Academy of Sciences (CAS), Beijing (China); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Beihang Univ., Beijing (China)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. The Univ. of Chicago, Chicago, IL (United States)
  5. Univ. of Nevada, Las Vegas, NV (United States)
  6. Ningbo Institute of Materials, Chinese Academy of Sciences, Ningbo, Zhejiang (China)
  7. Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  8. Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Nevada, Las Vegas, NV (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1212696
Alternate Identifier(s):
OSTI ID: 1332922
Grant/Contract Number:  
AC52-06NA25396; NA0001982
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; applied physics; condensed-matter physics; structured materials; structural materials

Citation Formats

Yu, Xiaohui, Zhang, Ruifeng, Weldon, David, Vogel, Sven C., Zhang, Jianzhong, Brown, Donald W., Wang, Yanbin, Reiche, Helmut M., Wang, Shanmin, Du, Shiyu, Jin, Changqing, and Zhao, Yusheng. High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling. United States: N. p., 2015. Web. doi:10.1038/srep12552.
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Yu, Xiaohui, Zhang, Ruifeng, Weldon, David, Vogel, Sven C., Zhang, Jianzhong, Brown, Donald W., Wang, Yanbin, Reiche, Helmut M., Wang, Shanmin, Du, Shiyu, Jin, Changqing, & Zhao, Yusheng. High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling. United States. https://doi.org/10.1038/srep12552
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Yu, Xiaohui, Zhang, Ruifeng, Weldon, David, Vogel, Sven C., Zhang, Jianzhong, Brown, Donald W., Wang, Yanbin, Reiche, Helmut M., Wang, Shanmin, Du, Shiyu, Jin, Changqing, and Zhao, Yusheng. Tue . "High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling". United States. https://doi.org/10.1038/srep12552. https://www.osti.gov/servlets/purl/1212696.
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@article{osti_1212696,
title = {High pressure phase-transformation induced texture evolution and strengthening in zirconium metal: Experiment and modeling},
author = {Yu, Xiaohui and Zhang, Ruifeng and Weldon, David and Vogel, Sven C. and Zhang, Jianzhong and Brown, Donald W. and Wang, Yanbin and Reiche, Helmut M. and Wang, Shanmin and Du, Shiyu and Jin, Changqing and Zhao, Yusheng},
abstractNote = {We studied the phase-transition induced texture changes and strengthening mechanism for zirconium metal under quasi-hydrostatic compression and uni-axial deformation under confined high pressure using the deformation-DIA (D-DIA) apparatus. It is shown that the experimentally obtained texture for ω-phase Zr can be qualitatively described by combining a subset of orientation variants previously proposed in two different models. The determined flow stress for the high-pressure ω-phase is 0.5–1.2GPa, more than three times higher than that of the α-phase. Using first-principles calculations, we investigated the mechanical and electronic properties of the two Zr polymorphs. We find that the observed strengthening can be attributed to the relatively strong directional bonding in the ω phase, which significantly increases its shear plastic resistance over the α-phase Zr. As a result, the present findings provide an alternate route for Zr metal strengthening by high-pressure phase transformation.},
doi = {10.1038/srep12552},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Tue Jul 28 00:00:00 EDT 2015},
month = {Tue Jul 28 00:00:00 EDT 2015}
}
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Works referenced in this record:

Crystal Structures of Titanium, Zirconium, and Hafnium at High Pressures
journal, April 1963

Solid-Solid Transitions in Titanium and Zirconium at High Pressures
journal, July 1963

Kinetics of phase transformations in Ti, Zr and Hf under static and dynamic pressures
journal, August 1978

The orientation relationship between the α- and ω-phases of titanium and zirconium
journal, September 1973

Crystallography and a model of the α → ω phase transformation in zirconium
journal, April 1981

Nanoindentation hardness and atomic force microscope imaging studies of pressure-quenched zirconium metal
journal, November 2000

  • Catledge, Shane A.; Spencer, Philemon T.; Vohra, Yogesh K.
  • Applied Physics Letters, Vol. 77, Issue 22
  • DOI: 10.1063/1.1329632

Stability of the two-phase (α/ω) microstructure of shocked zirconium
journal, April 2014

Formation of metastable ω-phase in Zr-Fe, Zr-Co, Zr-Ni, and Zr-Cu alloys
journal, September 1997

Orientation Relations During the α - ω Phase Transition of Zirconium: In Situ Texture Observations at High Pressure and Temperature
journal, November 2013

Enhancement of yield strength in zirconium metal through high-pressure induced structural phase transition
journal, November 2007

  • Zhao, Yusheng; Zhang, Jianzhong
  • Applied Physics Letters, Vol. 91, Issue 20
  • DOI: 10.1063/1.2802726

Combined texture and structure analysis of deformed limestone from time-of-flight neutron diffraction spectra
journal, January 1997

  • Lutterotti, L.; Matthies, S.; Wenk, H. -R.
  • Journal of Applied Physics, Vol. 81, Issue 2
  • DOI: 10.1063/1.364220

Mechanical and electronic properties of hard rhenium diboride of low elastic compressibility studied by first-principles calculation
journal, November 2007

  • Zhang, R. F.; Veprek, S.; Argon, A. S.
  • Applied Physics Letters, Vol. 91, Issue 20
  • DOI: 10.1063/1.2805196

XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
journal, August 1954

  • Pugh, S. F.
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 45, Issue 367
  • DOI: 10.1080/14786440808520496

Cubic Hf 3 N 4 and Zr 3 N 4 : A class of hard materials
journal, November 2003

Ductile and brittle crystals
journal, March 1967

  • Kelly, A.; Tyson, W. R.; Cottrell, A. H.
  • The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics, Vol. 15, Issue 135
  • DOI: 10.1080/14786436708220903

Atomistic mechanisms governing elastic limit and incipient plasticity in crystals
journal, July 2002

  • Li, Ju; Van Vliet, Krystyn J.; Zhu, Ting
  • Nature, Vol. 418, Issue 6895
  • DOI: 10.1038/nature00865

The Peierls Stress of Dislocations: An Analytic Formula
journal, January 1997

Origin of different plastic resistance of transition metal nitrides and carbides: Stiffer yet softer
journal, June 2013

Peierls barriers and stresses for edge dislocations in Pd and Al calculated from first principles
journal, August 1998

Thermodynamic stability and unusual strength of ultra-incompressible rhenium nitrides
journal, February 2011

Deformation systems of ?-zirconium
journal, May 1958

  • Sokurskii, Iu. N.; Protsenko, L. N.
  • The Soviet Journal of Atomic Energy, Vol. 4, Issue 5
  • DOI: 10.1007/BF01497933

The deformation-DIA: A new apparatus for high temperature triaxial deformation to pressures up to 15 GPa
journal, June 2003

  • Wang, Yanbin; Durham, William B.; Getting, Ivan C.
  • Review of Scientific Instruments, Vol. 74, Issue 6
  • DOI: 10.1063/1.1570948

The lattice strains in a specimen (hexagonal system) compressed nonhydrostatically in an opposed anvil high pressure setup
journal, May 1994

  • Singh, Anil K.; Balasingh, C.
  • Journal of Applied Physics, Vol. 75, Issue 10
  • DOI: 10.1063/1.355786

Yield strength and strain hardening of MgO up to 8 GPa measured in the deformation-DIA with monochromatic X-ray diffraction
journal, September 2004

  • Uchida, Takeyuki; Wang, Yanbin; Rivers, Mark L.
  • Earth and Planetary Science Letters, Vol. 226, Issue 1-2
  • DOI: 10.1016/j.epsl.2004.07.023

Compressive-tensile deformation of nanocrystalline nickel at high pressure and temperature conditions
journal, July 2013

  • Yu, Xiaohui; Wang, Yuejian; Zhang, Jianzhong
  • Applied Physics Letters, Vol. 103, Issue 4
  • DOI: 10.1063/1.4816744

High pressure deformation study of zirconium
journal, June 2007

  • Vogel, Sven C.; Reiche, Helmut; Brown, Donald W.
  • Powder Diffraction, Vol. 22, Issue 2
  • DOI: 10.1154/1.2737459

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

First-principles calculations of phase transition, elastic modulus, and superconductivity under pressure for zirconium
journal, March 2011

  • Wang, Bao-Tian; Zhang, Peng; Liu, Han-Yu
  • Journal of Applied Physics, Vol. 109, Issue 6
  • DOI: 10.1063/1.3556753

Atomistic mechanisms governing elastic limit and incipient plasticity in crystals
journal, July 2002

  • Li, Ju; Van Vliet, Krystyn J.; Zhu, Ting
  • Nature, Vol. 418, Issue 6895
  • DOI: 10.1038/nature00865

Mechanical and electronic properties of hard rhenium diboride of low elastic compressibility studied by first-principles calculation
journal, November 2007

  • Zhang, R. F.; Veprek, S.; Argon, A. S.
  • Applied Physics Letters, Vol. 91, Issue 20
  • DOI: 10.1063/1.2805196

Ductile and brittle crystals
journal, March 1967

  • Kelly, A.; Tyson, W. R.; Cottrell, A. H.
  • The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics, Vol. 15, Issue 135
  • DOI: 10.1080/14786436708220903

Stability and Strength of Transition-Metal Tetraborides and Triborides
journal, June 2012

Crystal Structures of Titanium, Zirconium, and Hafnium at High Pressures
journal, April 1963

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    Works referencing / citing this record:

    Observation of the Recrystallization Process in Pure Nb and Zr Using Positron Lifetime Spectroscopy and XRD Techniques
    journal, July 2018

    Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
    journal, August 2018

    • Zong, Hongxiang; Pilania, Ghanshyam; Ding, Xiangdong
    • npj Computational Materials, Vol. 4, Issue 1
    • DOI: 10.1038/s41524-018-0103-x

    Real time study of grain enlargement in zirconium under room-temperature compression across the α to ω phase transition
    journal, October 2019

    Zirconium Phase Transformation under Static High Pressure and ω-Zr Phase Stability at High Temperatures
    journal, July 2019

    • Jaworska, Lucyna; Cyboron, Jolanta; Cygan, Slawomir
    • Materials, Vol. 12, Issue 14
    • DOI: 10.3390/ma12142244

    Real time study of grain enlargement in zirconium under room-temperature compression across the α to ω phase transition
    journal, October 2019

    Manganese mono-boride, an inexpensive room temperature ferromagnetic hard material
    journal, March 2017

    • Ma, Shuailing; Bao, Kuo; Tao, Qiang
    • Scientific Reports, Vol. 7, Issue 1
    • DOI: 10.1038/srep43759

    Zirconium Phase Transformation under Static High Pressure and ω-Zr Phase Stability at High Temperatures
    journal, July 2019

    • Jaworska, Lucyna; Cyboron, Jolanta; Cygan, Slawomir
    • Materials, Vol. 12, Issue 14
    • DOI: 10.3390/ma12142244
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