Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

Zhang, Yanwen; Stocks, George Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C.; Wang, Lumin; Béland, Laurent K.; Stoller, Roger E.; Samolyuk, German D.; Caro, Magdalena; Caro, Alfredo; Weber, William J.

doi:10.1038/ncomms9736

Title: Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

Abstract

A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel to binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys.

Authors:

Zhang, Yanwen ^[1]; Stocks, George Malcolm ^[1]; Jin, Ke ^[2]; Lu, Chenyang ^[3]; Bei, Hongbin ^[1]; Sales, Brian C. ^[4]; Wang, Lumin ^[3]; Béland, Laurent K. ^[1]; Stoller, Roger E. ^[1]; Samolyuk, German D. ^[1]; Caro, Magdalena ^[5]; Caro, Alfredo ^[5];

^[6]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering

Publication Date:: Wed Oct 28 00:00:00 EDT 2015

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

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

OSTI Identifier:: 1241463

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Nature Communications

Additional Journal Information:: Journal Volume: 6; Related Information: EDDE partners with Oak Ridge National Laboratory (lead); Lawrence Livermore National Laboratory; University of Michigan; University of Tennessee; University of Wisconsin; University of Wyoming; Virginia Tech; Journal ID: ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Zhang, Yanwen, Stocks, George Malcolm, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Sales, Brian C., Wang, Lumin, Béland, Laurent K., Stoller, Roger E., Samolyuk, German D., Caro, Magdalena, Caro, Alfredo, and Weber, William J. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys.  United States: N. p., 2015. 
Web.  doi:10.1038/ncomms9736.

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                    Zhang, Yanwen, Stocks, George Malcolm, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Sales, Brian C., Wang, Lumin, Béland, Laurent K., Stoller, Roger E., Samolyuk, German D., Caro, Magdalena, Caro, Alfredo, & Weber, William J. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys.  United States.  https://doi.org/10.1038/ncomms9736

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                    Zhang, Yanwen, Stocks, George Malcolm, Jin, Ke, Lu, Chenyang, Bei, Hongbin, Sales, Brian C., Wang, Lumin, Béland, Laurent K., Stoller, Roger E., Samolyuk, German D., Caro, Magdalena, Caro, Alfredo, and Weber, William J. Wed .  
"Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys".  United States.  https://doi.org/10.1038/ncomms9736.  https://www.osti.gov/servlets/purl/1241463.

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@article{osti_1241463,

  title        = {Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys},

  author       = {Zhang, Yanwen and Stocks, George Malcolm and Jin, Ke and Lu, Chenyang and Bei, Hongbin and Sales, Brian C. and Wang, Lumin and Béland, Laurent K. and Stoller, Roger E. and Samolyuk, German D. and Caro, Magdalena and Caro, Alfredo and Weber, William J.},

  abstractNote = {A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel to binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys.},

  doi          = {10.1038/ncomms9736},

  journal      = {Nature Communications},

  number       = ,

  volume       = 6,

  place        = {United States},

  year         = {Wed Oct 28 00:00:00 EDT 2015},

  month        = {Wed Oct 28 00:00:00 EDT 2015}

}

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Jin, Ke; Zhang, Chuan; Zhang, Fan
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Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys [Supplementary Data]
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DOI: 10.48550/arxiv.1704.02812

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DOI: 10.1038/srep29798

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Chen, Nanjun; Niu, Liang-Liang; Zhang, Ying
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Hu, Q.; Guo, S.; Wang, J. M.
Scientific Reports, Vol. 7, Issue 1
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Outstanding radiation resistance of tungsten-based high-entropy alloys
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DOI: 10.3929/ethz-b-000249954

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Title: Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

Abstract

Citation Formats

Ionization-induced annealing of pre-existing defects in silicon carbide journal, August 2015

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Recovery, recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys journal, March 2014

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

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Lattice thermal conductivity of multi-component alloys journal, November 2015

Introducing ONETEP : Linear-scaling density functional simulations on parallel computers journal, February 2005

Coherent displacement of atoms during ion irradiation journal, March 1999

Accelerated exploration of multi-principal element alloys with solid solution phases journal, March 2015

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Gas effects on void formation in 14 MeV nickel ion irradiated pure nickel journal, November 1986

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Theory of electronic transport in random alloys: Korringa-Kohn-Rostoker coherent-potential approximation journal, March 1985

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys journal, April 2013

Density-Functional Theory for Random Alloys: Total Energy within the Coherent-Potential Approximation journal, May 1986

Micro- and Nanoengineering with Ion Tracks book, January 2009

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

Lattice thermal conductivity of multi-component alloys journal, November 2015

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Accelerated exploration of multi-principal element alloys with solid solution phases journal, March 2015

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability journal, March 2013

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Quantum critical behavior in the asymptotic limit of high disorder in the medium entropy alloy NiCoCr0.8 journal, June 2017

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Ionization-induced annealing of pre-existing defects in silicon carbide
journal, August 2015

Metastability of structure and radiation resistance of nickel-chromium alloys
journal, January 2006

Recovery, recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys
journal, March 2014

Solid Solution or Intermetallics in a High-Entropy Alloy
journal, August 2009

Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys
journal, May 2011

Elastic constants of single crystal Cr3Si and Cr–Cr3Si lamellar eutectic composites: a comparison of ultrasonic and nanoindentation measurements
journal, November 2004

Microstructural development in equiatomic multicomponent alloys
journal, July 2004

The role of electronic energy loss in ion beam modification of materials
journal, February 2015

Radiation damage and copper distribution in 14 MeV copper-ion-implanted nickel — TEM and AEM analyses in cross-section
journal, May 1989

Refractory high-entropy alloys
journal, September 2010

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

First-Principles Calculation of the Residual Electrical Resistivity of Random Alloys
journal, September 1986

Synthesis, characterization, and nanoindentation response of single crystal Fe–Cr–Ni alloys with FCC and BCC structures
journal, August 2014

Synthesis and Characterization of High-Entropy Alloy FeCoNiCuCr by Laser Cladding
journal, January 2011

Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy
journal, January 2015

Electronic and transport properties of disordered transition-metal alloys
journal, June 2011

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009

Calculating properties with the coherent-potential approximation
journal, April 1980

Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy
journal, October 2013

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability
journal, March 2013

Thermal conductivity of ten selected binary alloy systems
journal, July 1978

On the use of SRIM for computing radiation damage exposure
journal, September 2013

Structural factor and effects of low-temperature radiation damage in structural materials
journal, September 2006

Lattice thermal conductivity of multi-component alloys
journal, November 2015

Introducing ONETEP : Linear-scaling density functional simulations on parallel computers
journal, February 2005

Coherent displacement of atoms during ion irradiation
journal, March 1999

Accelerated exploration of multi-principal element alloys with solid solution phases
journal, March 2015

Neutron-induced swelling of binary NiAl alloys
journal, April 1992

Anomalous decrease in X-ray diffraction intensities of Cu–Ni–Al–Co–Cr–Fe–Si alloy systems with multi-principal elements
journal, May 2007

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

Microstructures and mechanical properties of a directionally solidified NiAl–Mo eutectic alloy
journal, January 2005

Gas effects on void formation in 14 MeV nickel ion irradiated pure nickel
journal, November 1986

Effect of solute atoms on swelling in Ni alloys and pure Ni under He+ ion irradiation
journal, December 2002

Theory of electronic transport in random alloys: Korringa-Kohn-Rostoker coherent-potential approximation
journal, March 1985

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys
journal, April 2013

Density-Functional Theory for Random Alloys: Total Energy within the Coherent-Potential Approximation
journal, May 1986

Micro- and Nanoengineering with Ion Tracks
book, January 2009

Channeling Within the Crystal
book, January 1982

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

Lattice thermal conductivity of multi-component alloys
journal, November 2015

Coherent displacement of atoms during ion irradiation
journal, March 1999

Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy
journal, January 2015

Accelerated exploration of multi-principal element alloys with solid solution phases
journal, March 2015

High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity and Malleability
journal, March 2013

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

High-Entropy Alloys: Potential Candidates for High-Temperature Applications - An Overview
journal, October 2017

Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys
journal, June 2017

Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys
journal, July 2017

Fabrication of ODS Austenitic Steels and CoCrFeNi High-Entropy Alloys by Spark Plasma Sintering for Nuclear Energy Applications
journal, May 2019

High-Throughput Nanomechanical Screening of Phase-Specific and Temperature-Dependent Hardness in AlxFeCrNiMn High-Entropy Alloys
journal, August 2019

Science and technology in high-entropy alloys
journal, January 2018

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

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi
journal, May 2017

Superplastic nanoscale pore shaping by ion irradiation
journal, February 2018

Atomic and electronic basis for the serrations of refractory high-entropy alloys
journal, June 2017

Phonon broadening in high entropy alloys
journal, September 2017

Temperature-dependent phonon spectra of magnetic random solid solutions
journal, February 2018

Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
journal, January 2019

Quantum critical behavior in the asymptotic limit of high disorder in the medium entropy alloy NiCoCr0.8
journal, June 2017

Enhanced strength and ductility in a high-entropy alloy via ordered oxygen complexes
journal, November 2018

Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy
journal, May 2017

The Exceptional Strong Face-centered Cubic Phase and Semi-coherent Phase Boundary in a Eutectic Dual-phase High Entropy Alloy AlCoCrFeNi
journal, October 2018

A strategy of designing high-entropy alloys with high-temperature shape memory effect
journal, September 2019

Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system
journal, September 2017

Effect of atomic order/disorder on Cr segregation in Ni-Fe alloys
journal, September 2018

Melts of CrCoNi-based high-entropy alloys: Atomic diffusion and electronic/atomic structure from ab initio simulation
journal, September 2018

Phase transformations of Al-bearing high-entropy alloys Al _x CoCrFeNi (x = 0, 0.1, 0.3, 0.75, 1.5) at high pressure
journal, March 2019

Electronic structure and atomic level complexity in Al _0.5 TiZrPdCuNi high-entropy alloy in glass phase
journal, September 2019

Effect of interstitial carbon on the evolution of early-stage irradiation damage in equi-atomic FeMnNiCoCr high-entropy alloys
journal, January 2020

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

Effect of irradiation on microstructure and hardening of Cr–Fe–Ni–Mn high-entropy alloy and its strengthened version
journal, December 2019

Influence of compositional complexity on interdiffusion in Ni-containing concentrated solid-solution alloys
journal, March 2018

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

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

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

Phase composition and microhardness of the as-cast and long-time annealed Co _x Ni _2−x CrFeTi multi-component alloys
journal, February 2019

Hidden Mn magnetic-moment disorder and its influence on the physical properties of medium-entropy NiCoMn solid solution alloys
journal, January 2019

Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys
journal, October 2019

(Hf _0.2 Zr _0.2 Ta _0.2 Nb _0.2 Ti _0.2 )C high‐entropy ceramics with low thermal conductivity
journal, May 2018