DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Cs diffusion in SiC high-energy grain boundaries

 [1];  [1]; ORCiD logo [1]
  1. Department of Material Science and Engineering, University of Wisconsin-Madison, Wisconsin 53706, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Name: Journal of Applied Physics Journal Volume: 122 Journal Issue: 10; Journal ID: ISSN 0021-8979
American Institute of Physics
Country of Publication:
United States

Citation Formats

Ko, Hyunseok, Szlufarska, Izabela, and Morgan, Dane. Cs diffusion in SiC high-energy grain boundaries. United States: N. p., 2017. Web. doi:10.1063/1.4989389.
Ko, Hyunseok, Szlufarska, Izabela, & Morgan, Dane. Cs diffusion in SiC high-energy grain boundaries. United States.
Ko, Hyunseok, Szlufarska, Izabela, and Morgan, Dane. Thu . "Cs diffusion in SiC high-energy grain boundaries". United States.
title = {Cs diffusion in SiC high-energy grain boundaries},
author = {Ko, Hyunseok and Szlufarska, Izabela and Morgan, Dane},
abstractNote = {},
doi = {10.1063/1.4989389},
journal = {Journal of Applied Physics},
number = 10,
volume = 122,
place = {United States},
year = {2017},
month = {9}

Works referenced in this record:

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

Silver Release from Coated Particle Fuel
journal, September 1977

  • Nabielek, H.; Brown, P. E.; Offermann, P.
  • Nuclear Technology, Vol. 35, Issue 2
  • DOI: 10.13182/NT35-483

Ag diffusion in SiC high-energy grain boundaries: Kinetic Monte Carlo study with first-principle calculations
journal, August 2016

The Performance of High-Temperature Reactor Fuel Particles at Extreme Temperatures
journal, January 1989

  • Nabielek, Heinz; Schenk, Werner; Heit, Werner
  • Nuclear Technology, Vol. 84, Issue 1
  • DOI: 10.13182/NT89-A34196

Projector augmented-wave method
journal, December 1994

Kinetic activation-relaxation technique
journal, October 2011

Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations
journal, June 2009

  • Hao, Shiqiang; Sholl, David S.
  • The Journal of Chemical Physics, Vol. 130, Issue 24
  • DOI: 10.1063/1.3158619

Development of a multi-layer diffusion couple to study fission product transport in β-SiC
journal, January 2014

Short- and intermediate-range structural correlations in amorphous silicon carbide: A molecular dynamics study
journal, July 2004

Silver and Cesium Diffusion Dynamics at the β-SiC Σ5 Grain Boundary Investigated with Density Functional Theory Molecular Dynamics and Metadynamics
journal, January 2014

  • Rabone, Jeremy; López-Honorato, Eddie; Van Uffelen, Paul
  • The Journal of Physical Chemistry A, Vol. 118, Issue 5
  • DOI: 10.1021/jp411156c

Diffusion behavior of cesium in silicon carbide at T>1000°C
journal, September 2012

  • Friedland, E.; van der Berg, N. G.; Hlatshwayo, T. T.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 286
  • DOI: 10.1016/j.nimb.2011.11.048

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

Single-file diffusion and reaction in zeolites
journal, August 1992

First-principles study of Cu/TiN and Al/TiN interfaces: weak versus strong interfaces
journal, March 2014

  • Yadav, S. K.; Ramprasad, R.; Wang, J.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 22, Issue 3
  • DOI: 10.1088/0965-0393/22/3/035020

Diffusion of fission products and radiation damage in SiC
journal, October 2013

Ab initio study of the annealing of vacancies and interstitials in cubic SiC: Vacancy-interstitial recombination and aggregation of carbon interstitials
journal, June 2004

Cs diffusion in cubic silicon carbide
journal, February 2012

Grain boundaries in semiconductors
journal, July 1985

A computational method to identify interstitial sites in complex materials
journal, May 2008

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

Interstitial-based boron diffusion dynamics in amorphous silicon
journal, August 2008

  • Kong, Ning; Kirichenko, Taras A.; Hwang, Gyeong S.
  • Applied Physics Letters, Vol. 93, Issue 8
  • DOI: 10.1063/1.2976556

Microstructure of TRISO coated particles from the AGR-1 experiment: SiC grain size and grain boundary character
journal, January 2013

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

Stability of Pristine and Defective SnTe Surfaces from First Principles
journal, July 2013

Theoretical study of the diffusion of lithium in crystalline and amorphous silicon
journal, April 2012

Using first-principles calculations to accelerate materials discovery for hydrogen purification membranes by modeling amorphous metals
journal, January 2008

  • Hao, Shiqiang; Sholl, David S.
  • Energy & Environmental Science, Vol. 1, Issue 1
  • DOI: 10.1039/b806909n

Time scale bridging in atomistic simulation of slow dynamics: viscous relaxation and defect activation
journal, August 2011

First-principles study of native point defects in ZnO
journal, June 2000

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Silver Diffusion in Silicon Carbide Coatings: Silver Diffusion in Silicon Carbide Coatings
journal, April 2011

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC
journal, June 2014

The diffusion of cesium, strontium, and europium in silicon carbide
journal, August 2016

Multiscale modeling of oxygen diffusion through the oxide during silicon oxidation
journal, November 2004

New empirical approach for the structure and energy of covalent systems
journal, April 1988

Ab initio density functional theory calculation of stacking fault energy and stress in 3C-SiC
journal, February 2012

  • Umeno, Yoshitaka; Yagi, Kuniaki; Nagasawa, Hiroyuki
  • physica status solidi (b), Vol. 249, Issue 6
  • DOI: 10.1002/pssb.201147487

Diffusion of Silver and Cesium in Silicon-Carbide Coatings of Fuel Particles for High-Temperature Gas-Cooled Reactors
journal, June 1983

  • Amian, Winfried; Stöver, Detlev
  • Nuclear Technology, Vol. 61, Issue 3
  • DOI: 10.13182/NT61-475

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

Nuclear fuels – Present and future
journal, May 2009

Radiation damage tolerant nanomaterials
journal, November 2013

Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study
journal, October 2012

  • Tritsaris, Georgios A.; Zhao, Kejie; Okeke, Onyekwelu U.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 42
  • DOI: 10.1021/jp307221q

Metal fission product behaviour in high temperature reactors -UO2 coated particle fuel
journal, January 1976

Covalent radii revisited
journal, January 2008

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

The effect of radiation upon diffusion in metals
journal, February 1978

Ion implantation of Cs into silicon carbide: Damage production and diffusion behaviour
journal, April 2007

  • Audren, A.; Benyagoub, A.; Thomé, L.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 257, Issue 1-2
  • DOI: 10.1016/j.nimb.2007.01.005

A new algorithm for Monte Carlo simulation of Ising spin systems
journal, January 1975

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

Influence of radiation damage on strontium and iodine diffusion in silicon carbide
journal, June 2012

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

Influence of dislocations on diffusion kinetics in solids with particular reference to the alkali halides
journal, January 1961

Lithium transport through lithium-ion battery cathode coatings
journal, January 2015

  • Xu, Shenzhen; Jacobs, Ryan M.; Nguyen, Ha M.
  • Journal of Materials Chemistry A, Vol. 3, Issue 33
  • DOI: 10.1039/C5TA01664A

Radiation enhanced diffusion of cesium, strontium, and europium in silicon carbide
journal, June 2016

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Diffusion Mechanism of Hydrogen in Amorphous Silicon: Ab Initio Molecular Dynamics Simulation
journal, April 2002

Radiation Enhanced Diffusion in Solids
journal, December 1958

  • Dienes, G. J.; Damask, A. C.
  • Journal of Applied Physics, Vol. 29, Issue 12
  • DOI: 10.1063/1.1723032

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

Behavior of solid fission products in coated fuel particles of a high-temperature gas-cooled reactor
journal, August 1989

  • Gudkov, A. N.; Kashparov, V. A.; Kotlyarov, A. A.
  • Soviet Atomic Energy, Vol. 67, Issue 2
  • DOI: 10.1007/BF01125254

Thermodynamic Criterion for the Stability of Amorphous Intergranular Films in Covalent Materials
journal, September 1996

Nickel atomic diffusion in amorphous silicon
journal, April 1995

  • Kuznetsov, A. Yu.; Svensson, B. G.
  • Applied Physics Letters, Vol. 66, Issue 17
  • DOI: 10.1063/1.113175

Lithium Transport in Amorphous Al 2 O 3 and AlF 3 for Discovery of Battery Coatings
journal, April 2013

  • Hao, Shiqiang; Wolverton, C.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 16
  • DOI: 10.1021/jp311982d

Ag diffusion in cubic silicon carbide
journal, January 2011

Diffusion of Ag along Σ 3 grain boundaries in 3C-SiC
journal, December 2011

Irradiation enhanced diffusion of boron in delta-doped silicon
journal, May 2001

  • Lévêque, P.; Kuznetsov, A. Yu.; Christensen, J. S.
  • Journal of Applied Physics, Vol. 89, Issue 10
  • DOI: 10.1063/1.1363685

First-principles study of phosphorus diffusion in silicon: Interstitial- and vacancy-mediated diffusion mechanisms
journal, March 2003

  • Liu, Xiang-Yang; Windl, Wolfgang; Beardmore, Keith M.
  • Applied Physics Letters, Vol. 82, Issue 12
  • DOI: 10.1063/1.1562342

Identification of silver and palladium in irradiated TRISO coated particles of the AGR-1 experiment
journal, March 2014

Energy barriers for point-defect reactions in 3 C -SiC
journal, August 2013

Influence of radiation damage on diffusion of fission products in silicon carbide
journal, January 2013

  • Friedland, Erich; Hlatshwayo, Thulani; van der Berg, Nic
  • physica status solidi (c), Vol. 10, Issue 2
  • DOI: 10.1002/pssc.201200457

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

Single Crystalline Nanostructures of Topological Crystalline Insulator SnTe with Distinct Facets and Morphologies
journal, October 2013

First-principles theory of ionic diffusion with nondilute carriers
journal, October 2001

The Harrison diffusion kinetics regimes in solute grain boundary diffusion
journal, May 2012