Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC

Khalil, Sarah; Swaminathan, Narasimhan; Shrader, David; Heim, Andrew J.; Morgan, Dane D.; Szlufarska, Izabela

doi:10.1103/PhysRevB.84.214104

Title: Diffusion of Ag along $Σ$ 3 grain boundaries in 3C-SiC

Authors:: Khalil, Sarah; Swaminathan, Narasimhan; Shrader, David; Heim, Andrew J.; Morgan, Dane D.; Szlufarska, Izabela

Publication Date:: Wed Dec 07 00:00:00 EST 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1098372

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 84 Journal Issue: 21; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Khalil, Sarah, Swaminathan, Narasimhan, Shrader, David, Heim, Andrew J., Morgan, Dane D., and Szlufarska, Izabela. Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.84.214104.

Copy to clipboard


                    Khalil, Sarah, Swaminathan, Narasimhan, Shrader, David, Heim, Andrew J., Morgan, Dane D., & Szlufarska, Izabela. Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC.  United States.  https://doi.org/10.1103/PhysRevB.84.214104

Copy to clipboard


                    Khalil, Sarah, Swaminathan, Narasimhan, Shrader, David, Heim, Andrew J., Morgan, Dane D., and Szlufarska, Izabela. Wed .  
"Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC".  United States.  https://doi.org/10.1103/PhysRevB.84.214104.

Copy to clipboard


                    
@article{osti_1098372,

  title        = {Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC},

  author       = {Khalil, Sarah and Swaminathan, Narasimhan and Shrader, David and Heim, Andrew J. and Morgan, Dane D. and Szlufarska, Izabela},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.84.214104},

  journal      = {Physical Review B},

  number       = 21,

  volume       = 84,

  place        = {United States},

  year         = {Wed Dec 07 00:00:00 EST 2011},

  month        = {Wed Dec 07 00:00:00 EST 2011}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.84.214104

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 45 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Silver Diffusion in Coated Fuel Particles: Rapid Communications of the American Ceramic Society
journal, September 2010

López-Honorato, Eddie; Yang, DaXiang; Tan, Jun
Journal of the American Ceramic Society, Vol. 93, Issue 10
DOI: 10.1111/j.1551-2916.2010.04055.x

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Key differences in the fabrication, irradiation and high temperature accident testing of US and German TRISO-coated particle fuel, and their implications on fuel performance
journal, June 2003

Petti, D. A.; Buongiorno, J.; Maki, J. T.
Nuclear Engineering and Design, Vol. 222, Issue 2-3
DOI: 10.1016/S0029-5493(03)00033-5

Study of silver diffusion in silicon carbide
journal, May 2009

Friedland, E.; Malherbe, J. B.; van der Berg, N. G.
Journal of Nuclear Materials, Vol. 389, Issue 2
DOI: 10.1016/j.jnucmat.2009.02.022

First-principles calculations for defects and impurities: Applications to III-nitrides
journal, April 2004

Van de Walle, Chris G.; Neugebauer, Jörg
Journal of Applied Physics, Vol. 95, Issue 8
DOI: 10.1063/1.1682673

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
journal, March 1989

Tersoff, J.
Physical Review B, Vol. 39, Issue 8
DOI: 10.1103/PhysRevB.39.5566

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

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

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Investigation of silver and iodine transport through silicon carbide layers prepared for nuclear fuel element cladding
journal, March 2011

Friedland, E.; van der Berg, N. G.; Malherbe, J. B.
Journal of Nuclear Materials, Vol. 410, Issue 1-3
DOI: 10.1016/j.jnucmat.2010.12.243

Diffusion mechanisms and structural effects in grain boundaries
journal, November 1986

Peterson, N. L.
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 4, Issue 6
DOI: 10.1116/1.573629

Fuel accident performance testing for small HTRs
journal, April 1990

Schenk, W.; Pott, G.; Nabielek, H.
Journal of Nuclear Materials, Vol. 171, Issue 1
DOI: 10.1016/0022-3115(90)90342-K

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

Kresse, G.; Hafner, J.
Journal of Physics: Condensed Matter, Vol. 6, Issue 40
DOI: 10.1088/0953-8984/6/40/015

EBSD for microstructure and property characterization of the SiC-coating in TRISO fuel particles
journal, January 2008

Tan, L.; Allen, T. R.; Hunn, J. D.
Journal of Nuclear Materials, Vol. 372, Issue 2-3
DOI: 10.1016/j.jnucmat.2007.04.048

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993

Kresse, G.; Hafner, J.
Physical Review B, Vol. 48, Issue 17
DOI: 10.1103/PhysRevB.48.13115

Out-of-reactor studies of fission product-silicon carbide interactions in HTGR fuel particles
journal, February 1984

Lauf, R. J.; Lindemer, T. B.; Pearson, R. L.
Journal of Nuclear Materials, Vol. 120, Issue 1
DOI: 10.1016/0022-3115(84)90166-1

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

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

Plimpton, Steve
Journal of Computational Physics, Vol. 117, Issue 1
DOI: 10.1006/jcph.1995.1039

The effect of annealing at 1500°C on migration and release of ion implanted silver in CVD silicon carbide
journal, October 2006

MacLean, H. J.; Ballinger, R. G.; Kolaya, L. E.
Journal of Nuclear Materials, Vol. 357, Issue 1-3
DOI: 10.1016/j.jnucmat.2006.05.043

A Crossover in the Mechanical Response of Nanocrystalline Ceramics
journal, August 2005

Szlufarska, I.
Science, Vol. 309, Issue 5736
DOI: 10.1126/science.1114411

Release behavior of metallic fission products from HTGR fuel particles at 1600 to 1900°C
journal, June 1993

Minato, Kazuo; Ogawa, Toru; Fukuda, Kousaku
Journal of Nuclear Materials, Vol. 202, Issue 1-2
DOI: 10.1016/0022-3115(93)90027-V

The inclination dependence of gold tracer diffusion along a Σ3 twin grain boundary in copper
journal, March 1999

Minkwitz, C.; Herzig, Chr.; Rabkin, E.
Acta Materialia, Vol. 47, Issue 4
DOI: 10.1016/S1359-6454(98)00429-7

Diffusion in Solids: Fundamentals, Methods, Materials, Diffusion-Controlled Processes
book, January 2007

Mehrer, Helmut
Springer Series in Solid-State Sciences
DOI: 10.1007/978-3-540-71488-0

Ag diffusion in cubic silicon carbide
journal, January 2011

Shrader, David; Khalil, Sarah M.; Gerczak, Tyler
Journal of Nuclear Materials, Vol. 408, Issue 3
DOI: 10.1016/j.jnucmat.2010.10.088

Grain boundary self-diffusion in Ni: Effect of boundary inclination
journal, May 2005

Mendelev, Mikhail I.; Zhang, Hao; Srolovitz, David J.
Journal of Materials Research, Vol. 20, Issue 5
DOI: 10.1557/JMR.2005.0177

Energetics and structure of ⟨0 0 1⟩ tilt grain boundaries in SiC
journal, September 2010

Wojdyr, Marcin; Khalil, Sarah; Liu, Yun
Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 7
DOI: 10.1088/0965-0393/18/7/075009

Kinetic Monte Carlo (KMC) simulation of fission product silver transport through TRISO fuel particle
journal, June 2011

Méric de Bellefon, G.; Wirth, B. D.
Journal of Nuclear Materials, Vol. 413, Issue 2
DOI: 10.1016/j.jnucmat.2011.04.010

Molecular-dynamics studies of grain-boundary diffusion. II. Vacancy migration, diffusion mechanism, and kinetics
journal, May 1984

Kwok, Thomas; Ho, Paul S.; Yip, Sidney
Physical Review B, Vol. 29, Issue 10
DOI: 10.1103/PhysRevB.29.5363

Fission-product release during postirradiation annealing of several types of coated fuel particles
journal, August 1984

Bullock, R. E.
Journal of Nuclear Materials, Vol. 125, Issue 3
DOI: 10.1016/0022-3115(84)90558-0

Covalent radii revisited
journal, January 2008

Cordero, Beatriz; Gómez, Verónica; Platero-Prats, Ana E.
Dalton Transactions, Issue 21
DOI: 10.1039/b801115j

Similar Records in DOE PAGES and OSTI.GOV collections:

Deformation and spallation of shocked Cu bicrystals with $Σ$ 3 coherent and symmetric incoherent twin boundaries

Journal Article Han, W. Z. ; An, Q. ; Luo, S. N. ; ... - Physical Review B
Cited by 36
https://doi.org/10.1103/PhysRevB.85.024107
Observation of the $ψ (3686)$ decays into $Σ^{+} {\bar{Σ}}^{-} ω$ and $Σ^{+} {\bar{Σ}}^{-} ϕ$

Journal Article Ablikim, M. ; Achasov, M. N. ; Adlarson, P. ; ... - Physical Review. D.
https://doi.org/10.1103/PhysRevD.108.092011
From Asymptotic Freedom to $θ$ Vacua: Qubit Embeddings of the O(3) Nonlinear $σ$ Model

Journal Article Caspar, Stephan ; Singh, Hersh - Physical Review Letters

Conventional lattice formulations of θ vacua in the 1+1-dimensional O(3) nonlinear sigma model suffer from a sign problem. Here, we construct the first sign-problem-free regularization for arbitrary θ. Using efficient lattice Monte Carlo algorithms, we demonstrate how a Hamiltonian model of spin-12 degrees of freedom on a two-dimensional spatial lattice reproduces both the infrared sector for arbitrary θ, as well as the ultraviolet physics of asymptotic freedom. Furthermore, as a model of qubits on a two-dimensional square lattice with only nearest-neighbor interactions, it is naturally suited for studying the physics of θ vacua and asymptotic freedom on near-term quantum devices.more »« less
https://doi.org/10.1103/PhysRevLett.129.022003
Measurement of branching fractions of $Λ_{c}^{+} \to η Λ π^{+}$ , $η Σ^{0} π^{+}$ , $Λ (1670) π^{+}$ , and $η Σ (1385)^{+}$

Journal Article Lee, J. Y. ; Tanida, K. ; Kato, Y. ; ... - Physical Review. D.

We report branching fraction measurements of four decay modes of themore »« less
https://doi.org/10.1103/PhysRevD.103.052005
Measurements of weak decay asymmetries of $Λ_{c}^{+} \to p K_{s}^{0}$ , $Λ π^{+}$ , $Σ^{+} π^{0}$ , and $Σ^{0} π^{+}$

Journal Article Ablikim, M. ; Achasov, M. N. ; Adlarson, P. ; ... - Physical Review D

Usingmore »« less
Cited by 22
https://doi.org/10.1103/PhysRevD.100.072004

Similar Records

Title: Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC

Citation Formats

Silver Diffusion in Coated Fuel Particles: Rapid Communications of the American Ceramic Society journal, September 2010

Generalized Gradient Approximation Made Simple journal, October 1996

Key differences in the fabrication, irradiation and high temperature accident testing of US and German TRISO-coated particle fuel, and their implications on fuel performance journal, June 2003

Study of silver diffusion in silicon carbide journal, May 2009

First-principles calculations for defects and impurities: Applications to III-nitrides journal, April 2004

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems journal, March 1989

Projector augmented-wave method journal, December 1994

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

Investigation of silver and iodine transport through silicon carbide layers prepared for nuclear fuel element cladding journal, March 2011

Diffusion mechanisms and structural effects in grain boundaries journal, November 1986

Fuel accident performance testing for small HTRs journal, April 1990

Special points for Brillouin-zone integrations journal, June 1976

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements journal, October 1994

EBSD for microstructure and property characterization of the SiC-coating in TRISO fuel particles journal, January 2008

Ab initio molecular dynamics for open-shell transition metals journal, November 1993

Out-of-reactor studies of fission product-silicon carbide interactions in HTGR fuel particles journal, February 1984

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

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

The effect of annealing at 1500°C on migration and release of ion implanted silver in CVD silicon carbide journal, October 2006

A Crossover in the Mechanical Response of Nanocrystalline Ceramics journal, August 2005

Release behavior of metallic fission products from HTGR fuel particles at 1600 to 1900°C journal, June 1993

The inclination dependence of gold tracer diffusion along a Σ3 twin grain boundary in copper journal, March 1999

Diffusion in Solids: Fundamentals, Methods, Materials, Diffusion-Controlled Processes book, January 2007

Ag diffusion in cubic silicon carbide journal, January 2011

Grain boundary self-diffusion in Ni: Effect of boundary inclination journal, May 2005

Energetics and structure of ⟨0 0 1⟩ tilt grain boundaries in SiC journal, September 2010

Kinetic Monte Carlo (KMC) simulation of fission product silver transport through TRISO fuel particle journal, June 2011

Molecular-dynamics studies of grain-boundary diffusion. II. Vacancy migration, diffusion mechanism, and kinetics journal, May 1984

Fission-product release during postirradiation annealing of several types of coated fuel particles journal, August 1984

Covalent radii revisited journal, January 2008

Title: Diffusion of Ag along $Σ$ 3 grain boundaries in 3C-SiC

Silver Diffusion in Coated Fuel Particles: Rapid Communications of the American Ceramic Society
journal, September 2010

Generalized Gradient Approximation Made Simple
journal, October 1996

Key differences in the fabrication, irradiation and high temperature accident testing of US and German TRISO-coated particle fuel, and their implications on fuel performance
journal, June 2003

Study of silver diffusion in silicon carbide
journal, May 2009

First-principles calculations for defects and impurities: Applications to III-nitrides
journal, April 2004

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
journal, March 1989

Projector augmented-wave method
journal, December 1994

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

Investigation of silver and iodine transport through silicon carbide layers prepared for nuclear fuel element cladding
journal, March 2011

Diffusion mechanisms and structural effects in grain boundaries
journal, November 1986

Fuel accident performance testing for small HTRs
journal, April 1990

Special points for Brillouin-zone integrations
journal, June 1976

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994

EBSD for microstructure and property characterization of the SiC-coating in TRISO fuel particles
journal, January 2008

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993

Out-of-reactor studies of fission product-silicon carbide interactions in HTGR fuel particles
journal, February 1984

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

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

The effect of annealing at 1500°C on migration and release of ion implanted silver in CVD silicon carbide
journal, October 2006

A Crossover in the Mechanical Response of Nanocrystalline Ceramics
journal, August 2005

Release behavior of metallic fission products from HTGR fuel particles at 1600 to 1900°C
journal, June 1993

The inclination dependence of gold tracer diffusion along a Σ3 twin grain boundary in copper
journal, March 1999

Diffusion in Solids: Fundamentals, Methods, Materials, Diffusion-Controlled Processes
book, January 2007

Ag diffusion in cubic silicon carbide
journal, January 2011

Grain boundary self-diffusion in Ni: Effect of boundary inclination
journal, May 2005

Energetics and structure of ⟨0 0 1⟩ tilt grain boundaries in SiC
journal, September 2010

Kinetic Monte Carlo (KMC) simulation of fission product silver transport through TRISO fuel particle
journal, June 2011

Molecular-dynamics studies of grain-boundary diffusion. II. Vacancy migration, diffusion mechanism, and kinetics
journal, May 1984

Fission-product release during postirradiation annealing of several types of coated fuel particles
journal, August 1984

Covalent radii revisited
journal, January 2008