Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes

Schuler, Thomas; Bellon, Pascal; Trinkle, Dallas R.; Averback, Robert S.

doi:10.1103/PhysRevMaterials.2.073605

Title: Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes

Authors:: Schuler, Thomas; Bellon, Pascal; Trinkle, Dallas R.; Averback, Robert S.

Publication Date:: 2018-07-16

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI Identifier:: 1460491

Grant/Contract Number:: FG02-05ER46217

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 7; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Schuler, Thomas, Bellon, Pascal, Trinkle, Dallas R., and Averback, Robert S. Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes.  United States: N. p., 2018. 
        Web.  doi:10.1103/PhysRevMaterials.2.073605.

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                    Schuler, Thomas, Bellon, Pascal, Trinkle, Dallas R., & Averback, Robert S. Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes.  United States.  doi:https://doi.org/10.1103/PhysRevMaterials.2.073605

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                    Schuler, Thomas, Bellon, Pascal, Trinkle, Dallas R., and Averback, Robert S. Mon .  
        "Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes".  United States.  doi:https://doi.org/10.1103/PhysRevMaterials.2.073605.

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@article{osti_1460491,

  title        = {Modeling the long-term evolution of dilute solid solutions in the presence of vacancy fluxes},

  author       = {Schuler, Thomas and Bellon, Pascal and Trinkle, Dallas R. and Averback, Robert S.},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.2.073605},

  journal      = {Physical Review Materials},

  number       = 7,

  volume       = 2,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.1103/PhysRevMaterials.2.073605

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Citation Formats

Radiation-accelerated precipitation in Fe–Cr alloys journal, January 2016

Predicting vacancy-mediated diffusion of interstitial solutes in α -Fe journal, September 2015

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Transport properties in dilute UN ( X ) solid solutions ( X = Xe , Kr ) journal, November 2016

Effects of oversized solutes on radiation-induced segregation in austenitic stainless steels journal, May 2009

Modeling solute-vacancy trapping at oversized solutes and its effect on radiation-induced segregation in Fe–Cr–Ni alloys journal, May 2009

Self-consistent formulation of configurational kinetics close to equilibrium: The phenomenological coefficients for diffusion in crystalline solids journal, January 2000

Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations journal, December 2016

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Frequency factors and isotope effects in solid state rate processes journal, January 1957

Adsorption and diffusion of hydrogen and oxygen in FCC-Co: a first-principles study journal, January 2017

Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach journal, June 2017

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

Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni journal, October 2013

Diffuse X-ray scattering studies of neutron- and electron-irradiated Ni, Cu and dilute alloys journal, September 1989

Quantitative modeling of solute drag by vacancies in face-centered-cubic alloys journal, April 2014

Direct Diffusion through Interpenetrating Networks: Oxygen in Titanium journal, July 2011

Transport properties of C and O in UN fuels journal, March 2017

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On the abnormal fast diffusion of solute atoms in α-Ti: A first-principles investigation journal, April 2018

Atomic diffusion theory challenging the Cahn-Hilliard method journal, October 2014

Diffusion coefficients of rare earth elements in fcc Fe: A first-principles study journal, January 2018

Reciprocal Relations in Irreversible Processes. II. journal, December 1931

Phenomenological coefficients for matter transport by vacancies from linear response theory: II. Completion of the five-frequency model journal, December 1981

Ab initio modeling of point defects, self-diffusion, and incorporation of impurities in thorium journal, February 2017

High-throughput ab-initio dilute solute diffusion database journal, July 2016

A mean field theory for diffusion in a dilute multi-component alloy: a new model for the effect of solutes on self-diffusion journal, November 2005

CXXXIII. Impurity diffusion in crystals (mainly ionic crystals with the sodium chloride structure) journal, November 1955

Equilibrium Vacancy Concentration Driven by Undetectable Impurities journal, June 2015

Segregation of Zinc to Vacancy Sinks in Aluminum journal, September 1970

Ion-irradiation studies of the damage function of copper and silver journal, October 1978

Correlation factor for diffusion in cubic crystals with solute–vacancy interactions of arbitrary range journal, October 2014

A proposed method of calculating displacement dose rates journal, August 1975

The effects of impurity trapping on irradiation-induced swelling and creep journal, June 1978

Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron journal, May 2016

Solute drag by vacancies in body-centered cubic alloys journal, October 2013

Ratio of Vacancy Jump Frequencies around and away from Copper Impurity Atoms in Aluminum journal, July 1970

Exact Model of Vacancy-Mediated Solute Transport in Magnesium journal, March 2017

First-principles analysis of solute diffusion in dilute bcc Fe- X alloys journal, September 2017

Transport properties of dilute α − Fe ( X ) solid solutions ( X = C, N, O) journal, June 2016

Migration mechanism for oversized solutes in cubic lattices: The case of yttrium in iron journal, June 2017

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

The effect of oversized solute additions on the microstructure of 316SS irradiated with 5 MeV Ni++ ions or 3.2 MeV protons journal, February 2004

Production rate of freely migrating defects for ion irradiation journal, February 1992

Radiation-accelerated precipitation in Fe–Cr alloys
journal, January 2016

Predicting vacancy-mediated diffusion of interstitial solutes in $α$ -Fe
journal, September 2015

Revisiting the diffusion mechanism of helium in UO 2 : A DFT+ U study
journal, January 2018

First-principles nickel database: Energetics of impurities and defects
journal, April 2015

Reciprocal Relations in Irreversible Processes. I.
journal, February 1931

The depletion of germanium solute around vacancy sinks in aluminum
journal, March 1970

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

Transport properties in dilute $UN (X)$ solid solutions $(X = Xe, Kr)$
journal, November 2016

Effects of oversized solutes on radiation-induced segregation in austenitic stainless steels
journal, May 2009

Modeling solute-vacancy trapping at oversized solutes and its effect on radiation-induced segregation in Fe–Cr–Ni alloys
journal, May 2009

Self-consistent formulation of configurational kinetics close to equilibrium: The phenomenological coefficients for diffusion in crystalline solids
journal, January 2000

Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations
journal, December 2016

Light-element diffusion in Mg using first-principles calculations: Anisotropy and elastodiffusion
journal, August 2016

Frequency factors and isotope effects in solid state rate processes
journal, January 1957

Adsorption and diffusion of hydrogen and oxygen in FCC-Co: a first-principles study
journal, January 2017

Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach
journal, June 2017

Radiation-induced solute segregation in metallic alloys
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Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni
journal, October 2013

Diffuse X-ray scattering studies of neutron- and electron-irradiated Ni, Cu and dilute alloys
journal, September 1989

Quantitative modeling of solute drag by vacancies in face-centered-cubic alloys
journal, April 2014

Direct Diffusion through Interpenetrating Networks: Oxygen in Titanium
journal, July 2011

Transport properties of C and O in UN fuels
journal, March 2017

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On the abnormal fast diffusion of solute atoms in α-Ti: A first-principles investigation
journal, April 2018

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journal, October 2014

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Reciprocal Relations in Irreversible Processes. II.
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Phenomenological coefficients for matter transport by vacancies from linear response theory: II. Completion of the five-frequency model
journal, December 1981

Ab initio modeling of point defects, self-diffusion, and incorporation of impurities in thorium
journal, February 2017

High-throughput ab-initio dilute solute diffusion database
journal, July 2016

A mean field theory for diffusion in a dilute multi-component alloy: a new model for the effect of solutes on self-diffusion
journal, November 2005

CXXXIII. Impurity diffusion in crystals (mainly ionic crystals with the sodium chloride structure)
journal, November 1955

Equilibrium Vacancy Concentration Driven by Undetectable Impurities
journal, June 2015

Segregation of Zinc to Vacancy Sinks in Aluminum
journal, September 1970

Ion-irradiation studies of the damage function of copper and silver
journal, October 1978

Correlation factor for diffusion in cubic crystals with solute–vacancy interactions of arbitrary range
journal, October 2014

A proposed method of calculating displacement dose rates
journal, August 1975

The effects of impurity trapping on irradiation-induced swelling and creep
journal, June 1978

Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron
journal, May 2016

Solute drag by vacancies in body-centered cubic alloys
journal, October 2013

Ratio of Vacancy Jump Frequencies around and away from Copper Impurity Atoms in Aluminum
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Exact Model of Vacancy-Mediated Solute Transport in Magnesium
journal, March 2017

First-principles analysis of solute diffusion in dilute bcc Fe- $X$ alloys
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Transport properties of dilute $α − Fe (X)$ solid solutions ( $X$ = C, N, O)
journal, June 2016

Migration mechanism for oversized solutes in cubic lattices: The case of yttrium in iron
journal, June 2017

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

The effect of oversized solute additions on the microstructure of 316SS irradiated with 5 MeV Ni++ ions or 3.2 MeV protons
journal, February 2004

Production rate of freely migrating defects for ion irradiation
journal, February 1992