Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

Tong, Yang; Velisa, Gihan; Zhao, Shiteng; Guo, Wei; Yang, Taini; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Ko, J. Y. P.; Pagan, D. C.; Zhang, Yanwen; Wang, Lumin; Zhang, F. X.

doi:10.1016/j.mtla.2018.06.008

Title: Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

Abstract

Here, a major challenge for future nuclear reactors is to design nuclear materials that can sustain extremely prolonged radiation damage. Local lattice distortion, considered as a core effect of high-entropy alloys (HEAs), can suppress the growth of radiation defects to control radiation performance. However, local lattice distortion in HEAs is rarely quantitatively measured. Here we employed total scattering technique to study the local structure of the face-centered cubic (fcc) equiatomic FeCoNiCr MEA, and FeCoNiCrMn and FeCoNiCrPd HEAs before and after ion irradiation. Their local lattice distortions were quantitatively evaluated based on the difference of lattice constant between the local structure and the average structure. We revealed that the mean local lattice distortion in the pristine samples varies in the following order: FeCoNiCr < FeCoNiCrMn < FeCoNiCrPd. Density functional theory (DFT) calculations further unveiled that the fluctuation of local distortions in FeCoNiCr and FeCoNiCrMn is less than 5%, whereas the highest bond-length fluctuation in FeCoNiCrPd can approach to 8%. Under irradiation the mean local lattice distortion in FeCoNiCr and FeCoNiCrMn evolves differently from FeCoNiCrPd by showing a relaxation behavior at low dose. And the impact of local lattice distortion on dislocation loops after a prolonged ion-irradiation was investigated by transmission electronmore »« less

Authors:

Tong, Yang ^[1];

^[1]; Zhao, Shiteng ^[1]; Guo, Wei ^[1]; Yang, Taini ^[2];

^[1]; Lu, Chenyang ^[2];

^[1]; Ko, J. Y. P. ^[3]; Pagan, D. C. ^[3];

^[4]; Wang, Lumin ^[2];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Michigan, Ann Arbor, MI (United States)
Cornell Univ., Ithaca, NY (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); The Univ. of Tennessee, Knoxville, TN (United States)

Publication Date:: Wed Jun 27 00:00:00 EDT 2018

Research Org.:: Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1460240

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Materialia

Additional Journal Information:: Journal Volume: 2; Journal ID: ISSN 2589-1529

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; High-entropy alloys; Lattice distortion; Pair distribution function; Ion irradiation; Density functional theory calculation

Citation Formats


                    Tong, Yang, Velisa, Gihan, Zhao, Shiteng, Guo, Wei, Yang, Taini, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Ko, J. Y. P., Pagan, D. C., Zhang, Yanwen, Wang, Lumin, and Zhang, F. X. Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys.  United States: N. p., 2018. 
Web.  doi:10.1016/j.mtla.2018.06.008.

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                    Tong, Yang, Velisa, Gihan, Zhao, Shiteng, Guo, Wei, Yang, Taini, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Ko, J. Y. P., Pagan, D. C., Zhang, Yanwen, Wang, Lumin, & Zhang, F. X. Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys.  United States.  https://doi.org/10.1016/j.mtla.2018.06.008

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                    Tong, Yang, Velisa, Gihan, Zhao, Shiteng, Guo, Wei, Yang, Taini, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Ko, J. Y. P., Pagan, D. C., Zhang, Yanwen, Wang, Lumin, and Zhang, F. X. Wed .  
"Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys".  United States.  https://doi.org/10.1016/j.mtla.2018.06.008.  https://www.osti.gov/servlets/purl/1460240.

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@article{osti_1460240,

  title        = {Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys},

  author       = {Tong, Yang and Velisa, Gihan and Zhao, Shiteng and Guo, Wei and Yang, Taini and Jin, Ke and Lu, Chenyang and Bei, Hongbin and Ko, J. Y. P. and Pagan, D. C. and Zhang, Yanwen and Wang, Lumin and Zhang, F. X.},

  abstractNote = {Here, a major challenge for future nuclear reactors is to design nuclear materials that can sustain extremely prolonged radiation damage. Local lattice distortion, considered as a core effect of high-entropy alloys (HEAs), can suppress the growth of radiation defects to control radiation performance. However, local lattice distortion in HEAs is rarely quantitatively measured. Here we employed total scattering technique to study the local structure of the face-centered cubic (fcc) equiatomic FeCoNiCr MEA, and FeCoNiCrMn and FeCoNiCrPd HEAs before and after ion irradiation. Their local lattice distortions were quantitatively evaluated based on the difference of lattice constant between the local structure and the average structure. We revealed that the mean local lattice distortion in the pristine samples varies in the following order: FeCoNiCr < FeCoNiCrMn < FeCoNiCrPd. Density functional theory (DFT) calculations further unveiled that the fluctuation of local distortions in FeCoNiCr and FeCoNiCrMn is less than 5%, whereas the highest bond-length fluctuation in FeCoNiCrPd can approach to 8%. Under irradiation the mean local lattice distortion in FeCoNiCr and FeCoNiCrMn evolves differently from FeCoNiCrPd by showing a relaxation behavior at low dose. And the impact of local lattice distortion on dislocation loops after a prolonged ion-irradiation was investigated by transmission electron microscope (TEM) and the underlying mechanism was discussed.},

  doi          = {10.1016/j.mtla.2018.06.008},

  journal      = {Materialia},

  number       = ,

  volume       = 2,

  place        = {United States},

  year         = {Wed Jun 27 00:00:00 EDT 2018},

  month        = {Wed Jun 27 00:00:00 EDT 2018}

}

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Works referencing / citing this record:

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Title: Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

Abstract

Citation Formats

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes journal, May 2004

Alloy Design Strategies and Future Trends in High-Entropy Alloys journal, October 2013

A fracture-resistant high-entropy alloy for cryogenic applications journal, September 2014

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures journal, February 2016

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys journal, April 2016

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys journal, October 2015

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys journal, December 2016

High-Entropy Alloys: A Critical Review journal, April 2014

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity journal, February 2016

Effects of compositional complexity on the ion-irradiation induced swelling and hardening in Ni-containing equiatomic alloys journal, July 2016

Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys journal, April 2017

Grain boundary segregation under electron irradiation in austenitic stainless steels modified with oversized elements journal, July 1992

Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys journal, April 2011

On the mechanism of radiation-induced segregation in austenitic Fe–Cr–Ni alloys journal, May 1998

Void-swelling in irons and ferritic steels journal, November 1979

Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys journal, October 2017

Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study journal, November 2012

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An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy journal, January 2017

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Calibration and correction of spatial distortions in 2D detector systems journal, July 1994

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal, July 2007

The effect of injected interstitials on void formation in self-ion irradiated nickel containing concentrated solid solution alloys journal, May 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Generalized Gradient Approximation Made Simple journal, October 1996

Projector augmented-wave method journal, December 1994

Special quasirandom structures journal, July 1990

Stacking fault energies of face-centered cubic concentrated solid solution alloys journal, August 2017

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures journal, December 2014

Multistep damage evolution process in cubic zirconia irradiated with MeV ions journal, October 2009

Influence of elastic properties on the strain induced by ion irradiation in crystalline materials journal, December 2012

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Substitutional solution hardening journal, March 1963

Diffusion rates of 3d transition metal solutes in nickel by first-principles calculations journal, May 2005

Solute Diffusion in Metals: Larger Atoms Can Move Faster journal, February 2004

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A geometric model for intrinsic residual strain and phase stability in high entropy alloys journal, August 2015

Atomic-size and lattice-distortion effects in newly developed high-entropy alloys with multiple principal elements journal, September 2015

High-entropy alloy: challenges and prospects journal, July 2016

Atomic displacement in the CrMnFeCoNi high-entropy alloy – A scaling factor to predict solid solution strengthening journal, December 2016

Phase stability, physical properties and strengthening mechanisms of concentrated solid solution alloys journal, October 2017

Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys journal, August 2015

Theory of strengthening in fcc high entropy alloys journal, October 2016

Thermal activation mechanisms and Labusch-type strengthening analysis for a family of high-entropy and equiatomic solid-solution alloys journal, November 2016

Local structure of Ni 80 X 20 (X: Cr, Mn, Pd) solid-solution alloys and its response to ion irradiation journal, November 2019

Critical Review of Chemical Complexity Effect on Local Structure of Multi-principal-Element Alloys journal, August 2019

Lattice Distortion and Phase Stability of Pd-Doped NiCoFeCr Solid-Solution Alloys journal, November 2018

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004

Alloy Design Strategies and Future Trends in High-Entropy Alloys
journal, October 2013

A fracture-resistant high-entropy alloy for cryogenic applications
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Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures
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Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys
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Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
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Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys
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High-Entropy Alloys: A Critical Review
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Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity
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Effects of compositional complexity on the ion-irradiation induced swelling and hardening in Ni-containing equiatomic alloys
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Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys
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Grain boundary segregation under electron irradiation in austenitic stainless steels modified with oversized elements
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Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys
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On the mechanism of radiation-induced segregation in austenitic Fe–Cr–Ni alloys
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Void-swelling in irons and ferritic steels
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Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys
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Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study
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Size-dependent plasticity in an Nb25Mo25Ta25W25 refractory high-entropy alloy
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An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy
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Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment
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Microstructural development in equiatomic multicomponent alloys
journal, July 2004

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy
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Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys
journal, August 2013

New ion beam materials laboratory for materials modification and irradiation effects research
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Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy
journal, May 2017

Calibration and correction of spatial distortions in 2D detector systems
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PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
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The effect of injected interstitials on void formation in self-ion irradiated nickel containing concentrated solid solution alloys
journal, May 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Generalized Gradient Approximation Made Simple
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Projector augmented-wave method
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Special quasirandom structures
journal, July 1990

Stacking fault energies of face-centered cubic concentrated solid solution alloys
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Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures
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Multistep damage evolution process in cubic zirconia irradiated with MeV ions
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Influence of elastic properties on the strain induced by ion irradiation in crystalline materials
journal, December 2012

Evolution of irradiation-induced strain in an equiatomic NiFe alloy
journal, November 2017

Substitutional solution hardening
journal, March 1963

Diffusion rates of 3d transition metal solutes in nickel by first-principles calculations
journal, May 2005

Solute Diffusion in Metals: Larger Atoms Can Move Faster
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Direct Observation of Dopant Atom Diffusion in a Bulk Semiconductor Crystal Enhanced by a Large Size Mismatch
journal, October 2014

Calculation of impurity diffusivities in α-Fe using first-principles methods
journal, April 2010

Solid-Solution Phase Formation Rules for Multi-component Alloys
journal, June 2008

A geometric model for intrinsic residual strain and phase stability in high entropy alloys
journal, August 2015

Atomic-size and lattice-distortion effects in newly developed high-entropy alloys with multiple principal elements
journal, September 2015

High-entropy alloy: challenges and prospects
journal, July 2016

Atomic displacement in the CrMnFeCoNi high-entropy alloy – A scaling factor to predict solid solution strengthening
journal, December 2016

Phase stability, physical properties and strengthening mechanisms of concentrated solid solution alloys
journal, October 2017

Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys
journal, August 2015

Theory of strengthening in fcc high entropy alloys
journal, October 2016

Thermal activation mechanisms and Labusch-type strengthening analysis for a family of high-entropy and equiatomic solid-solution alloys
journal, November 2016

Local structure of Ni ₈₀ X ₂₀ (X: Cr, Mn, Pd) solid-solution alloys and its response to ion irradiation
journal, November 2019

Critical Review of Chemical Complexity Effect on Local Structure of Multi-principal-Element Alloys
journal, August 2019

Lattice Distortion and Phase Stability of Pd-Doped NiCoFeCr Solid-Solution Alloys
journal, November 2018