skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries in α -Fe

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1099142
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 85 Journal Issue: 6; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Tschopp, M. A., Solanki, K. N., Gao, F., Sun, X., Khaleel, M. A., and Horstemeyer, M. F. Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries in α -Fe. United States: N. p., 2012. Web. doi:10.1103/PhysRevB.85.064108.
Tschopp, M. A., Solanki, K. N., Gao, F., Sun, X., Khaleel, M. A., & Horstemeyer, M. F. Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries in α -Fe. United States. doi:10.1103/PhysRevB.85.064108.
Tschopp, M. A., Solanki, K. N., Gao, F., Sun, X., Khaleel, M. A., and Horstemeyer, M. F. Fri . "Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries in α -Fe". United States. doi:10.1103/PhysRevB.85.064108.
@article{osti_1099142,
title = {Probing grain boundary sink strength at the nanoscale: Energetics and length scales of vacancy and interstitial absorption by grain boundaries in α -Fe},
author = {Tschopp, M. A. and Solanki, K. N. and Gao, F. and Sun, X. and Khaleel, M. A. and Horstemeyer, M. F.},
abstractNote = {},
doi = {10.1103/PhysRevB.85.064108},
journal = {Physical Review B},
number = 6,
volume = 85,
place = {United States},
year = {2012},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.85.064108

Citation Metrics:
Cited by: 110 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Irradiation-induced grain boundary chromium microchemistry in high alloy ferritic steels
journal, May 2008


Dislocation Models of Crystal Grain Boundaries
journal, May 1950


The multiscale modeling of plastic deformation in metallic nanolayered composites
journal, April 2008


Structure-energy correlation for grain boundaries in F.C.C. metals—III. Symmetrical tilt boundaries
journal, May 1990


Radiation-induced segregation and phase stability in ferritic–martensitic alloy T 91
journal, October 2011


Structural unit and faceting description of Σ3 asymmetric tilt grain boundaries
journal, September 2007


Multiscale modeling approach for calculating grain-boundary energies from first principles
journal, February 1998


Atomic scale modelling of the primary damage state of irradiated fcc and bcc nanocrystalline metals
journal, June 2006


Preferential damage at symmetrical tilt grain boundaries in bcc iron
journal, June 2001

  • Pérez-Pérez, F. Javier; Smith, Roger
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 180, Issue 1-4
  • DOI: 10.1016/S0168-583X(01)00439-6

Modelling radiation effects at grain boundaries in bcc iron
journal, June 1999

  • Pérez Pérez, F. Javier; Smith, Roger
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 153, Issue 1-4
  • DOI: 10.1016/S0168-583X(99)00197-4

Distribution of grain boundaries in aluminum as a function of five macroscopic parameters
journal, July 2004


Radiation damage near grain boundaries
journal, October 2003


On the structural unit model of grain boundary structure
journal, February 1989


On the Structure of Tilt Grain Boundaries in Cubic Metals I. Symmetrical Tilt Boundaries
journal, March 1983

  • Sutton, A. P.; Vitek, V.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 309, Issue 1506
  • DOI: 10.1098/rsta.1983.0020

Point defect annihilation at grain boundaries in gold
journal, April 1985


The influence of ∑3 twin boundaries on the formation of radiation-induced defect clusters in nanotwinned Cu
journal, June 2011

  • Demkowicz, Michael J.; Anderoglu, Osman; Zhang, Xinghang
  • Journal of Materials Research, Vol. 26, Issue 14
  • DOI: 10.1557/jmr.2011.56

Radiation-induced material changes and susceptibility to intergranular failure of light-water-reactor core internals
journal, September 1999


Stacking fault tetrahedra formation in the neighbourhood of grain boundaries
journal, April 2003

  • Samaras, M.; Derlet, P. M.; Van Swygenhoven, H.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 202
  • DOI: 10.1016/S0168-583X(02)01829-3

Development of new interatomic potentials appropriate for crystalline and liquid iron
journal, December 2003


Effects of edge dislocations on interstitial helium and helium cluster behavior in α-Fe
journal, May 2008


The effects of interfaces on radiation damage production in layered metal composites
journal, August 2004


A coincidence — Ledge — Dislocation description of grain boundaries
journal, February 1968


Evolution of structure and free volume in symmetric tilt grain boundaries during dislocation nucleation
journal, November 2010


Five-parameter grain boundary distribution in grain boundary engineered brass
journal, April 2005


Molecular-dynamics studies of grain-boundary diffusion. I. Structural properties and mobility of point defects
journal, May 1984


Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
journal, June 1984


〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies
journal, September 1996


Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces
journal, January 2007


Multiscale modelling of dislocation/grain boundary interactions. II. Screw dislocations impinging on tilt boundaries in Al
journal, October 2007


Multiscale modelling of dislocation/grain-boundary interactions: I. Edge dislocations impinging on Σ11 (1 1 3) tilt boundary in Al
journal, December 2006

  • Dewald, M. P.; Curtin, W. A.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 15, Issue 1
  • DOI: 10.1088/0965-0393/15/1/S16

Correlation between energy and volume expansion for grain boundaries in FCC metals
journal, November 1989


Grain-boundary source/sink behavior for point defects: An atomistic simulation study
journal, April 2009

  • Millett, Paul C.; Aidhy, Dilpuneet S.; Desai, Tapan
  • International Journal of Materials Research, Vol. 100, Issue 4
  • DOI: 10.3139/146.110072

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


Multiscale modeling of dislocation/grain-boundary interactions: III. 60° dislocations impinging on Σ3, Σ9 and Σ11 tilt boundaries in Al
journal, June 2011


Materials informatics
journal, October 2005


Comparing grain boundary energies in face-centered cubic metals: Al, Au, Cu and Ni
journal, November 2010


Changes in the five-parameter grain boundary character distribution in α-brass brought about by iterative thermomechanical processing
journal, October 2006


Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission
journal, March 2010


SIA activity during irradiation of nanocrystalline Ni
journal, December 2003


The radiation damage tolerance of ultra-high strength nanolayered composites
journal, September 2007


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


Grain boundary dislocation sources in nanocrystalline copper
journal, February 2008


Interface Structure and Radiation Damage Resistance in Cu-Nb Multilayer Nanocomposites
journal, April 2008


Grain-boundary dissociation by the emission of stacking faults
journal, February 1996


Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys
journal, April 2011


A read-shockley model for high-angle grain boundaries
journal, October 1989


Survey of computed grain boundary properties in face-centered cubic metals—II: Grain boundary mobility
journal, August 2009


Nucleation of dislocations from [001] bicrystal interfaces in aluminum
journal, August 2005


Combinatorial Materials Sciences: Experimental Strategies for Accelerated Knowledge Discovery
journal, August 2008


Evidence for Vacancy Mechanism in Grain Boundary Diffusion in bcc Iron: A Molecular-Dynamics Study
journal, October 1981


Controlling Radiation Damage
journal, March 2010


Energetic driving force for preferential binding of self-interstitial atoms to Fe grain boundaries over vacancies
journal, May 2011


On the multiplicity of structures and grain boundaries
journal, February 1983


Atomic-scale design of radiation-tolerant nanocomposites
journal, December 2010

  • Demkowicz, M. J.; Bellon, P.; Wirth, B. D.
  • MRS Bulletin, Vol. 35, Issue 12
  • DOI: 10.1557/mrs2010.704

Atomic mechanisms of grain boundary diffusion: Low versus high temperatures
journal, June 2005


Structures and energies of Σ 3 asymmetric tilt grain boundaries in copper and aluminium
journal, August 2007


Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals
journal, April 1983


Comparison of empirical interatomic potentials for iron applied to radiation damage studies
journal, November 2010


Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy
journal, August 2009


A computer simulation study of 〈001〉 and 〈111〉 tilt boundaries: the multiplicity of structures
journal, July 1984


Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit
journal, June 2007


Asymmetric tilt grain boundary structure and energy in copper and aluminium
journal, September 2007


On the mechanism of radiation-induced segregation in austenitic Fe–Cr–Ni alloys
journal, May 1998