Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance

Zhang, Yanwen; Osetsky, Yuri N.; Weber, William J.

doi:10.1021/acs.chemrev.1c00387

Title: Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance

Abstract

The development of advanced structural alloys with performance meeting the requirements of extreme environments in nuclear reactors has been long pursued. In the long history of alloy development, the search for metallic alloys with improved radiation tolerance or increased structural strength has relied on either incorporating alloying elements at low concentrations to synthesize so-called dilute alloys or incorporating nanoscale features to mitigate defects. In contrast to traditional approaches, recent success in synthesizing multicomponent concentrated solid-solution alloys (CSAs), including medium-entropy and high-entropy alloys, has vastly expanded the compositional space for new alloy discovery. Their wide variety of elemental diversity enables tunable chemical disorder and sets CSAs apart from traditional dilute alloys. The tunable electronic structure critically lowers the effectiveness of energy dissipation via the electronic subsystem. The tunable chemical complexity also modifies the scattering mechanisms in the atomic subsystem that control energy transport through phonons. The level of chemical disorder depends substantively on the specific alloying elements, rather than the number of alloying elements, as the disorder does not monotonically increase with a higher number of alloying elements. To go beyond our knowledge based on conventional alloys and take advantage of property enhancement by tuning chemical disorder, this review highlights synergisticmore »« less

Authors:

^[1]; Osetsky, Yuri N. ^[2];

^[3]

Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States, Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States

Publication Date:: Mon Oct 25 00:00:00 EDT 2021

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1827419

Alternate Identifier(s):: OSTI ID: 1839528; OSTI ID: 1872864

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Published Article

Journal Name:: Chemical Reviews

Additional Journal Information:: Journal Name: Chemical Reviews Journal Volume: 122 Journal Issue: 1; Journal ID: ISSN 0009-2665

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Elements; Diseases and disorders; Alloying; Alloys; Electrical energy

Citation Formats


                    Zhang, Yanwen, Osetsky, Yuri N., and Weber, William J. Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance.  United States: N. p., 2021. 
Web.  doi:10.1021/acs.chemrev.1c00387.

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                    Zhang, Yanwen, Osetsky, Yuri N., & Weber, William J. Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance.  United States.  https://doi.org/10.1021/acs.chemrev.1c00387

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                    Zhang, Yanwen, Osetsky, Yuri N., and Weber, William J. Mon .  
"Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance".  United States.  https://doi.org/10.1021/acs.chemrev.1c00387.

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@article{osti_1827419,

  title        = {Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance},

  author       = {Zhang, Yanwen and Osetsky, Yuri N. and Weber, William J.},

  abstractNote = {The development of advanced structural alloys with performance meeting the requirements of extreme environments in nuclear reactors has been long pursued. In the long history of alloy development, the search for metallic alloys with improved radiation tolerance or increased structural strength has relied on either incorporating alloying elements at low concentrations to synthesize so-called dilute alloys or incorporating nanoscale features to mitigate defects. In contrast to traditional approaches, recent success in synthesizing multicomponent concentrated solid-solution alloys (CSAs), including medium-entropy and high-entropy alloys, has vastly expanded the compositional space for new alloy discovery. Their wide variety of elemental diversity enables tunable chemical disorder and sets CSAs apart from traditional dilute alloys. The tunable electronic structure critically lowers the effectiveness of energy dissipation via the electronic subsystem. The tunable chemical complexity also modifies the scattering mechanisms in the atomic subsystem that control energy transport through phonons. The level of chemical disorder depends substantively on the specific alloying elements, rather than the number of alloying elements, as the disorder does not monotonically increase with a higher number of alloying elements. To go beyond our knowledge based on conventional alloys and take advantage of property enhancement by tuning chemical disorder, this review highlights synergistic effects involving valence electrons and atomic-level and nanoscale inhomogeneity in CSAs composed of multiple transition metals. Understanding of the energy dissipation pathways, deformation tolerance, and structural stability of CSAs can proceed by exploiting the equilibrium and non-equilibrium defect processes at the electronic and atomic levels, with or without microstructural inhomogeneities at multiple length scales. Knowledge of tunable chemical disorder in CSAs may advance the understanding of the substantial modifications in element-specific alloy properties that effectively mitigate radiation damage and control a material’s response in extreme environments, as well as overcome strength–ductility trade-offs and provide overarching design strategies for structural alloys.},

  doi          = {10.1021/acs.chemrev.1c00387},

  journal      = {Chemical Reviews},

  number       = 1,

  volume       = 122,

  place        = {United States},

  year         = {Mon Oct 25 00:00:00 EDT 2021},

  month        = {Mon Oct 25 00:00:00 EDT 2021}

}

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Dissipation of radiation energy in concentrated solid-solution alloys: Unique defect properties and microstructural evolution

Journal Article Zhang, Yanwen ; Egami, Takeshi ; Weber, William J. - MRS Bulletin

The effort to develop metallic alloys with increased structural strength and improved radiation performance has focused on the incorporation of either solute elements or microstructural inhomogeneities to mitigate damage. The recent discovery and development of single-phase concentrated solid-solution alloys (SP-CSAs) has prompted fundamental questions that challenge established theories and models currently applicable to conventional alloys. Here, the current understanding of electronic and atomic effects, defect evolution, and microstructure progression suggests that radiation energy dissipates in SP-CSAs at different interaction strengths via energy carriers (electrons, phonons, and magnons). Modification of electronic- and atomic-level heterogeneities and tailoring of atomic transport processes canmore »« less
Cited by 32
https://doi.org/10.1557/mrs.2019.233

Full Text Available
Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys

Journal Article Zhang, Yanwen ; Zhao, Shijun ; Weber, William J. ; ... - Current Opinion in Solid State and Materials Science

Performance enhancement of structural materials in extreme radiation environments has been activelyinvestigated for many decades. Traditional alloys, such as steel, brass and aluminum alloys, normallycontain one or two principal element(s) with a low concentration of other elements. While these existin either a mixture of metallic phases (multiple phases) or in a solid solution (single phase), limited orlocalized chemical disorder is a common characteristic of the main matrix. Fundamentally different fromtraditional alloys, recently developed single-phase concentrated solid-solutio n alloys (CSAs) contain mul-tiple elemental species in equiatomic or high concentrations with different elements randomly arrangedon a crystalline lattice. Due to the lackmore »« less
https://doi.org/10.1016/j.cossms.2017.02.002

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Title: Tunable Chemical Disorder in Concentrated Alloys: Defect Physics and Radiation Performance

Abstract

Citation Formats

Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel journal, August 2019

Enhanced void swelling in NiCoFeCrPd high-entropy alloy by indentation-induced dislocations journal, August 2018

Microstructural development in equiatomic multicomponent alloys journal, July 2004

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order journal, August 2021

Swelling and Helium Bubble Morphology in a Cryogenically Treated FeCrNi Alloy with Martensitic Transformation and Reversion after Helium Implantation journal, September 2019

From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium–transition metal alloys journal, July 2016

Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys journal, October 2018

Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys journal, May 2020

Mechanisms of radiation-induced segregation in CrFeCoNi-based single-phase concentrated solid solution alloys journal, March 2017

Mechanisms of radiation-induced segregation around He bubbles in a Fe-Cr-Ni crystal journal, February 2019

Influence of irradiation temperature on void swelling in NiCoFeCrMn and NiCoFeCrPd journal, January 2019

Impact of Short-Range Forces on Defect Production from High-Energy Collisions journal, May 2016

Lattice distortion in Cu-based dilute alloys: A first-principles study by the KKR Green-function method journal, February 1997

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

Radiation damage tolerant nanomaterials journal, November 2013

Radiation-induced solute segregation in metallic alloys journal, June 2016

Accelerated kinetic Monte Carlo: A case study; vacancy and dumbbell interstitial diffusion traps in concentrated solid solution alloys journal, August 2020

Chemical complexity induced local structural distortion in NiCoFeMnCr high-entropy alloy journal, June 2018

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals journal, August 2007

Charge transfer in alloys: AgAu journal, July 1974

Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling journal, May 2018

Atomic-scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-ray Spectroscopy journal, February 2014

A universal strategy for the creation of machine learning-based atomistic force fields journal, September 2017

Effects of electron-phonon coupling and electronic thermal conductivity in high energy molecular dynamics simulations of irradiation cascades in nickel journal, May 2019

Chemical effects on He bubble superlattice formation in high entropy alloys journal, August 2019

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments journal, October 2015

Tunable chemical complexity to control atomic diffusion in alloys journal, April 2020

Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys journal, August 2016

Irradiation-Dependent Helium Gas Bubble Superlattice in Tungsten journal, February 2019

Gas-bubble superlattice formation in bcc metals journal, March 1995

In situ nanobeam electron diffraction strain mapping of planar slip in stainless steel journal, March 2018

High-entropy alloys: a critical assessment of their founding principles and future prospects journal, April 2016

Direct Observation of Sink-Dependent Defect Evolution in Nanocrystalline Iron under Irradiation journal, May 2017

Additively manufactured hierarchical stainless steels with high strength and ductility journal, October 2017

Evading the strength–ductility trade-off dilemma in steel through gradient hierarchical nanotwins journal, April 2014

From suppressed void growth to significant void swelling in NiCoFeCr complex concentrated solid-solution alloy journal, March 2020

Diffusion of point defects in ordered and disordered Ni–Fe alloys journal, October 2019

Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys journal, September 2018

Spin-orbit interaction and spontaneous galvanomagnetic effects in ferromagnetic alloys journal, April 1996

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

Effects of 3d electron configurations on helium bubble formation and void swelling in concentrated solid-solution alloys journal, December 2019

Modelling radiation effects in solids with two-temperature molecular dynamics journal, May 2018

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys journal, October 2015

Radiation-induced extreme elastic and inelastic interactions in concentrated solid solutions journal, July 2018

On the existence and origin of sluggish diffusion in chemically disordered concentrated alloys journal, June 2018

Radiation-Induced Grain Growth of Nanocrystalline Al x CoCrFeNi High-Entropy Alloys journal, February 2021

Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems journal, January 2018

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

Local lattice distortion in high-entropy alloys journal, July 2017

Designing Radiation Resistance in Materials for Fusion Energy journal, July 2014

Design principles for radiation-resistant solid solutions journal, May 2017

Local lattice distortion in NiCoCr, FeCoNiCr and FeCoNiCrMn concentrated alloys investigated by synchrotron X-ray diffraction journal, October 2018

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys journal, February 2016

Helium gas bubble lattices in face-centred-cubic metals journal, December 1978

High entropy alloys: A focused review of mechanical properties and deformation mechanisms journal, April 2020

Series study of random percolation in three dimensions journal, March 1983

Interstitial migration behavior and defect evolution in ion irradiated pure nickel and Ni-xFe binary alloys journal, October 2018

Crossover from Localized to Cascade Relaxations in Metallic Glasses journal, July 2015

Chemically-biased diffusion and segregation impede void growth in irradiated Ni-Fe alloys journal, April 2019

First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation journal, November 2021

Refractory high-entropy alloys journal, September 2010

Defect identification in semiconductors with positron annihilation: Experiment and theory journal, November 2013

Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements journal, January 2017

The electronegativity parameter for transition metals: Heat of formation and charge transfer in alloys journal, July 1973

Percolative diffusion of a dumbbell interstitial defect on a fcc lattice: Calculation of a percolation threshold with use of a series method journal, December 1994

Tracer diffusion in the Ni–CoCrFeMn system: Transition from a dilute solid solution to a high entropy alloy journal, January 2019

Short-range order and its impact on the CrCoNi medium-entropy alloy journal, May 2020

Quantum Critical Behavior in a Concentrated Ternary Solid Solution journal, May 2016

A comparison study of local lattice distortion in Ni 80 Pd 20 binary alloy and FeCoNiCrPd high-entropy alloy journal, November 2018

Yield strength and misfit volumes of NiCoCr and implications for short-range-order journal, May 2020

Historical review of computer simulation of radiation effects in materials journal, July 2019

Effects of electronic structures on mechanical properties of transition metals and alloys journal, June 2019

Thermoelectric performance of PbSnTeSe high-entropy alloys journal, October 2016

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

Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys journal, August 2018

Microscale residual stresses in additively manufactured stainless steel journal, September 2019

Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni Fe alloys journal, December 2021

Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel
journal, August 2019

Enhanced void swelling in NiCoFeCrPd high-entropy alloy by indentation-induced dislocations
journal, August 2018

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
journal, August 2021

Swelling and Helium Bubble Morphology in a Cryogenically Treated FeCrNi Alloy with Martensitic Transformation and Reversion after Helium Implantation
journal, September 2019

From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium–transition metal alloys
journal, July 2016

Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys
journal, October 2018

Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys
journal, May 2020

Mechanisms of radiation-induced segregation in CrFeCoNi-based single-phase concentrated solid solution alloys
journal, March 2017

Mechanisms of radiation-induced segregation around He bubbles in a Fe-Cr-Ni crystal
journal, February 2019

Influence of irradiation temperature on void swelling in NiCoFeCrMn and NiCoFeCrPd
journal, January 2019

Impact of Short-Range Forces on Defect Production from High-Energy Collisions
journal, May 2016

Lattice distortion in Cu-based dilute alloys: A first-principles study by the KKR Green-function method
journal, February 1997

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

Radiation damage tolerant nanomaterials
journal, November 2013

Radiation-induced solute segregation in metallic alloys
journal, June 2016

Accelerated kinetic Monte Carlo: A case study; vacancy and dumbbell interstitial diffusion traps in concentrated solid solution alloys
journal, August 2020

Chemical complexity induced local structural distortion in NiCoFeMnCr high-entropy alloy
journal, June 2018

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals
journal, August 2007

Charge transfer in alloys: AgAu
journal, July 1974

Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling
journal, May 2018

Atomic-scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-ray Spectroscopy
journal, February 2014

A universal strategy for the creation of machine learning-based atomistic force fields
journal, September 2017

Effects of electron-phonon coupling and electronic thermal conductivity in high energy molecular dynamics simulations of irradiation cascades in nickel
journal, May 2019

Chemical effects on He bubble superlattice formation in high entropy alloys
journal, August 2019

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments
journal, October 2015

Tunable chemical complexity to control atomic diffusion in alloys
journal, April 2020

Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys
journal, August 2016

Irradiation-Dependent Helium Gas Bubble Superlattice in Tungsten
journal, February 2019

Gas-bubble superlattice formation in bcc metals
journal, March 1995

In situ nanobeam electron diffraction strain mapping of planar slip in stainless steel
journal, March 2018

High-entropy alloys: a critical assessment of their founding principles and future prospects
journal, April 2016

Direct Observation of Sink-Dependent Defect Evolution in Nanocrystalline Iron under Irradiation
journal, May 2017

Additively manufactured hierarchical stainless steels with high strength and ductility
journal, October 2017

Evading the strength–ductility trade-off dilemma in steel through gradient hierarchical nanotwins
journal, April 2014

From suppressed void growth to significant void swelling in NiCoFeCr complex concentrated solid-solution alloy
journal, March 2020

Diffusion of point defects in ordered and disordered Ni–Fe alloys
journal, October 2019

Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys
journal, September 2018

Spin-orbit interaction and spontaneous galvanomagnetic effects in ferromagnetic alloys
journal, April 1996

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

Effects of 3d electron configurations on helium bubble formation and void swelling in concentrated solid-solution alloys
journal, December 2019

Modelling radiation effects in solids with two-temperature molecular dynamics
journal, May 2018

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys
journal, October 2015

Radiation-induced extreme elastic and inelastic interactions in concentrated solid solutions
journal, July 2018

On the existence and origin of sluggish diffusion in chemically disordered concentrated alloys
journal, June 2018

Radiation-Induced Grain Growth of Nanocrystalline Al _x CoCrFeNi High-Entropy Alloys
journal, February 2021

Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems
journal, January 2018

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

Local lattice distortion in high-entropy alloys
journal, July 2017

Designing Radiation Resistance in Materials for Fusion Energy
journal, July 2014

Design principles for radiation-resistant solid solutions
journal, May 2017

Local lattice distortion in NiCoCr, FeCoNiCr and FeCoNiCrMn concentrated alloys investigated by synchrotron X-ray diffraction
journal, October 2018

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys
journal, February 2016

Helium gas bubble lattices in face-centred-cubic metals
journal, December 1978

High entropy alloys: A focused review of mechanical properties and deformation mechanisms
journal, April 2020

Series study of random percolation in three dimensions
journal, March 1983

Interstitial migration behavior and defect evolution in ion irradiated pure nickel and Ni-xFe binary alloys
journal, October 2018

Crossover from Localized to Cascade Relaxations in Metallic Glasses
journal, July 2015

Chemically-biased diffusion and segregation impede void growth in irradiated Ni-Fe alloys
journal, April 2019

First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation
journal, November 2021

Refractory high-entropy alloys
journal, September 2010

Defect identification in semiconductors with positron annihilation: Experiment and theory
journal, November 2013

Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements
journal, January 2017

The electronegativity parameter for transition metals: Heat of formation and charge transfer in alloys
journal, July 1973

Percolative diffusion of a dumbbell interstitial defect on a fcc lattice: Calculation of a percolation threshold with use of a series method
journal, December 1994

Tracer diffusion in the Ni–CoCrFeMn system: Transition from a dilute solid solution to a high entropy alloy
journal, January 2019

Short-range order and its impact on the CrCoNi medium-entropy alloy
journal, May 2020

Quantum Critical Behavior in a Concentrated Ternary Solid Solution
journal, May 2016

A comparison study of local lattice distortion in Ni 80 Pd 20 binary alloy and FeCoNiCrPd high-entropy alloy
journal, November 2018

Yield strength and misfit volumes of NiCoCr and implications for short-range-order
journal, May 2020

Historical review of computer simulation of radiation effects in materials
journal, July 2019

Effects of electronic structures on mechanical properties of transition metals and alloys
journal, June 2019

Thermoelectric performance of PbSnTeSe high-entropy alloys
journal, October 2016

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

Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys
journal, August 2018

Microscale residual stresses in additively manufactured stainless steel
journal, September 2019

Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni Fe alloys
journal, December 2021

Physical Metallurgy of High-Entropy Alloys
journal, August 2015

Atomic Level Stresses in Solids and Liquids
journal, November 1987

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