DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys

Abstract

A three-dimensional elastoplastic phase-field model is developed, using the Finite Element Method (FEM), for modeling the athermal beta to omega phase transformation in Zr–Nb alloys by including plastic deformation and strain hardening of the material. The microstructure evolution during athermal transformation as well as under different stress states, e.g. uni-axial tensile and compressive, bi-axial tensile and compressive, shear and tri-axial loadings, is studied. The effects of plasticity, stress states and the stress loading direction on the microstructure evolution as well as on the mechanical properties are studied. The input data corresponding to a Zr – 8 at.% Nb alloy are acquired from experimental studies as well as by using the CALPHAD method. Our simulations show that the four different omega variants grow as ellipsoidal shaped particles. Our results show that due to stress relaxation, the athermal phase transformation occurs slightly more readily in the presence of plasticity compared to that in its absence. The evolution of omega phase is different under different stress states, which leads to the differences in the mechanical properties of the material. The variant selection mechanism, i.e. formation of different variants under different stress loading directions, is also nicely captured by our model.

Authors:
 [1];  [1]
  1. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1193641
Alternate Identifier(s):
OSTI ID: 1249879
Report Number(s):
LA-UR-14-26568
Journal ID: ISSN 0921-5093; PII: S0921509315002683
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing
Additional Journal Information:
Journal Volume: 634; Journal Issue: C; Journal ID: ISSN 0921-5093
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; 36 MATERIALS SCIENCE; phase-field method; diffusionless phase transformation; omega phase; microstructure; zirconium-niobium alloys

Citation Formats

Yeddu, Hemantha Kumar, and Lookman, Turab. Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys. United States: N. p., 2015. Web. doi:10.1016/j.msea.2015.03.035.
Yeddu, Hemantha Kumar, & Lookman, Turab. Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys. United States. https://doi.org/10.1016/j.msea.2015.03.035
Yeddu, Hemantha Kumar, and Lookman, Turab. Fri . "Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys". United States. https://doi.org/10.1016/j.msea.2015.03.035. https://www.osti.gov/servlets/purl/1193641.
@article{osti_1193641,
title = {Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys},
author = {Yeddu, Hemantha Kumar and Lookman, Turab},
abstractNote = {A three-dimensional elastoplastic phase-field model is developed, using the Finite Element Method (FEM), for modeling the athermal beta to omega phase transformation in Zr–Nb alloys by including plastic deformation and strain hardening of the material. The microstructure evolution during athermal transformation as well as under different stress states, e.g. uni-axial tensile and compressive, bi-axial tensile and compressive, shear and tri-axial loadings, is studied. The effects of plasticity, stress states and the stress loading direction on the microstructure evolution as well as on the mechanical properties are studied. The input data corresponding to a Zr – 8 at.% Nb alloy are acquired from experimental studies as well as by using the CALPHAD method. Our simulations show that the four different omega variants grow as ellipsoidal shaped particles. Our results show that due to stress relaxation, the athermal phase transformation occurs slightly more readily in the presence of plasticity compared to that in its absence. The evolution of omega phase is different under different stress states, which leads to the differences in the mechanical properties of the material. The variant selection mechanism, i.e. formation of different variants under different stress loading directions, is also nicely captured by our model.},
doi = {10.1016/j.msea.2015.03.035},
journal = {Materials Science and Engineering. A, Structural Materials: Properties, Microstructure and Processing},
number = C,
volume = 634,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2015},
month = {Fri May 01 00:00:00 EDT 2015}
}

Journal Article:

Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Microstructure and mechanical properties of as-cast Zr–Nb alloys
journal, July 2011


First-principles investigations on elastic and thermodynamic properties of zirconium under pressure
journal, August 2012


Microstructural evolution in zirconium based alloys
journal, December 2008


Omega phase transformation – morphologies and mechanisms: Dedicated to Professor Dr. Knut Urban on the occasion of his 65th birthday
journal, July 2006

  • Banerjee, S.; Tewari, R.; Dey, G. K.
  • International Journal of Materials Research, Vol. 97, Issue 7
  • DOI: 10.3139/146.101327

Review on ω Phase in Body-Centered Cubic Metals and Alloys
journal, January 2014


Modelling the effect of carbon on deformation behaviour of twinning induced plasticity steels
journal, June 2011

  • Huang, Mingxin; Bouaziz, Olivier; Barbier, David
  • Journal of Materials Science, Vol. 46, Issue 23
  • DOI: 10.1007/s10853-011-5703-5

A constitutive model for the formation of martensite in austenitic steels under large strain plasticity
journal, July 2007


Phase-Field Models for Microstructure Evolution
journal, August 2002


Microstructure Simulation for Solidification of Magnesium–Zinc–Yttrium Alloy by Multi-phase-field Method Coupled with CALPHAD Database
journal, January 2010


Three-dimensional phase-field modeling of martensitic microstructure evolution in steels
journal, February 2012


Martensitic textures: Multiscale consequences of elastic compatibility
journal, November 1999


Three-dimensional field model and computer modeling of martensitic transformations
journal, February 1997


A phase-field study of the physical concepts of martensitic transformations in steels
journal, March 2012

  • Yeddu, Hemantha Kumar; Borgenstam, Annika; Hedström, Peter
  • Materials Science and Engineering: A, Vol. 538
  • DOI: 10.1016/j.msea.2012.01.026

Three-dimensional phase field model of proper martensitic transformation
journal, April 2001


Effect of martensite embryo potency on the martensitic transformations in steels—A 3D phase-field study
journal, November 2013


Three dimensional elasto-plastic phase field simulation of martensitic transformation in polycrystal
journal, October 2012

  • Malik, Amer; Yeddu, Hemantha Kumar; Amberg, Gustav
  • Materials Science and Engineering: A, Vol. 556
  • DOI: 10.1016/j.msea.2012.06.080

Landau theory for shape memory polycrystals
journal, January 2004


Stress-assisted martensitic transformations in steels: A 3-D phase-field study
journal, April 2013


Dynamic strain loading of cubic to tetragonal martensites
journal, May 2006


Multi-length scale modeling of martensitic transformations in stainless steels
journal, November 2012


Elastoplastic phase-field simulation of self- and plastic accommodations in martensitic transformation
journal, September 2008


Strain-induced martensitic transformation in stainless steels: A three-dimensional phase-field study
journal, October 2013


A phase-field approach to athermal β→ω transformation
journal, February 2012


Reverse phase transformation of martensite to austenite in stainless steels: a 3D phase-field study
journal, February 2014

  • Yeddu, Hemantha Kumar; Lookman, Turab; Saxena, Avadh
  • Journal of Materials Science, Vol. 49, Issue 10
  • DOI: 10.1007/s10853-014-8067-9

The simultaneous occurrence of martensitic transformation and reversion of martensite
journal, January 2014

  • Yeddu, Hemantha Kumar; Lookman, Turab; Saxena, Avadh
  • Materials Science and Engineering: A, Vol. 594
  • DOI: 10.1016/j.msea.2013.11.036

Shape memory effect and pseudoelasticity behavior in tetragonal zirconia polycrystals: A phase field study
journal, September 2014


Martensite formation in stainless steels under transient loading
journal, July 2014

  • Yeddu, Hemantha Kumar; Lookman, Turab; Borgenstam, Annika
  • Materials Science and Engineering: A, Vol. 608
  • DOI: 10.1016/j.msea.2014.04.063

A phase-field model for incoherent martensitic transformations including plastic accommodation processes in the austenite
journal, October 2011

  • Kundin, J.; Raabe, D.; Emmerich, H.
  • Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 10
  • DOI: 10.1016/j.jmps.2011.07.001

Elastoplastic phase field model for microstructure evolution
journal, November 2005

  • Guo, X. H.; Shi, San-Qiang; Ma, X. Q.
  • Applied Physics Letters, Vol. 87, Issue 22
  • DOI: 10.1063/1.2138358

A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening
journal, June 1979


Structural properties and high-temperature reactions of the metastable Ω phase in Zr–Nb alloys
journal, May 2005

  • Aurelio, Gabriela; Fernández Guillermet, Armando; Cuello, Gabriel J.
  • Journal of Nuclear Materials, Vol. 341, Issue 1
  • DOI: 10.1016/j.jnucmat.2004.12.001

Simultaneous ultrasonic and synchrotron x-ray studies on pressure induced α-ω phase transition in zirconium
journal, January 2008

  • Liu, Wei; Li, Baosheng; Wang, Liping
  • Journal of Applied Physics, Vol. 104, Issue 7
  • DOI: 10.1063/1.2987001

Deformation of high β-phase fraction Zr–Nb alloys at room temperature
journal, May 2012


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

Works referencing / citing this record:

Formation of stress- and thermal-induced martensitic nanostructures in a single crystal with phase-dependent elastic properties
journal, October 2019