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

Title: The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC

Journal Article · · Scientific Reports
DOI:https://doi.org/10.1038/srep42358· OSTI ID:1347521
 [1];  [1];  [1]
  1. Univ. of Wisconsin, Madison, WI (United States)

Lattice defects generated by radiation damage can diffuse to grain boundaries (GBs) and be annihilated at GBs. However, the precise role of GBs in annihilating the segregated defects remains unclear. Here, we employed multi-scale models to determine how interstitials are annihilated at small-angle tilt GBs (STGBs) in SiC. First of all, we found the pipe diffusion of interstitials in STGBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, we found both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled and can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of STGBs in annihilating radiation damage. This model includes defect flux to GBs, pipe diffusion in STGBs, and the interaction of defects with jogs. The model predicts the role of STGBs in annihilating defects depends on the rate of defects segregation to and diffusion along STGBs. STGBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. As a result, when defect diffusivity is low, most of the defects segregated to STGBs are annihilated by dislocation climb.

Research Organization:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-08ER46493
OSTI ID:
1347521
Journal Information:
Scientific Reports, Vol. 7; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 16 works
Citation information provided by
Web of Science

References (36)

Is pipe diffusion in metals vacancy controlled? A molecular dynamics study of an edge dislocation in copper journal August 1989
Nanoscale engineering of radiation tolerant silicon carbide journal January 2012
Simulations of the mechanical properties of crystalline, nanocrystalline, and amorphous SiC and Si journal February 2007
Ag diffusion in cubic silicon carbide journal January 2011
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC text January 2016
The relationship between grain boundary structure, defect mobility and grain boundary sink efficiency journal March 2015
Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon journal September 2015
Point Defects and Dislocation Climb in Iii-V Compounds Semiconductors journal June 1979
Electron-beam-induced amorphization in SiC journal October 2003
Volume swelling of amorphous SiC during ion-beam irradiation journal July 2005
Defect-interface interactions journal October 2015
Effect of Grain Boundary Stresses on Sink Strength journal November 2013
Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission journal March 2010
Structural materials for fission & fusion energy journal November 2009
Silicon carbide as an inert-matrix for a thermal reactor fuel journal August 1999
Radiation effects in SiC for nuclear structural applications journal June 2012
Amorphization of nanocrystalline 3C-SiC irradiated with Si + ions journal December 2010
Transition from Irradiation-Induced Amorphization to Crystallization in Nanocrystalline Silicon Carbide journal October 2011
Temperature and irradiation species dependence of radiation response of nanocrystalline silicon carbide journal December 2014
Experimental and ab initio study of enhanced resistance to amorphization of nanocrystalline silicon carbide under electron irradiation journal February 2014
Response of nanocrystalline 3 C silicon carbide to heavy-ion irradiation journal October 2009
Ab initio based rate theory model of radiation induced amorphization in β-SiC journal July 2011
Effects of fast neutron irradiation on zirconium carbide journal April 2010
Non-random walk diffusion enhances the sink strength of semicoherent interfaces journal January 2016
Elastic models of symmetrical 〈001〉 and 〈011〉 tilt grain boundaries in diamond journal January 2000
Finding the low-energy structures of Si[001] symmetric tilted grain boundaries with a genetic algorithm journal November 2009
Energetics and structure of ⟨0 0 1⟩ tilt grain boundaries in SiC journal September 2010
Atomistic study of intrinsic defect migration in 3C-SiC journal June 2004
Grain boundary diffusion metals versus non-stoichiometric compounds journal July 2001
Atomistic study of pipe diffusion in Al–Mg alloys journal January 2004
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC journal June 2014
Dislocation climb model in compound semiconductors with zinc blende structure journal October 1976
Empirical potential approach for defect properties in 3C-SiC journal May 2002
Structural stability and energetics of grain boundary triple junctions in face centered cubic materials journal March 2015
Origin of radiation tolerance in 3C-SiC with nanolayered planar defects journal July 2013
Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Deuxième mémoire. Recherches sur les parallélloèdres primitifs. journal July 1908

Cited By (1)

Small-Angle Twist Grain Boundaries as Sinks for Point Defects journal February 2018