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Title: Interplay between atomic disorder, lattice swelling and defect energy in ion-irradiation-induced amorphization of SiC

We present a combination of experimental and computational evaluations of disorder level and lattice swelling in ion-irradiated materials. Information obtained from X-ray diffraction experiments is compared to X-ray diffraction data generated using atomic-scale simulations. The proposed methodology, which can be applied to a wide range of crystalline materials, is used to study the amorphization process in irradiated SiC. Results show that this process can be divided into two steps. In the first step, point defects and small defect clusters are produced and generate both large lattice swelling and high elastic energy. In the second step, enhanced coalescence of defects and defect clusters occurs to limit this increase in energy, which rapidly leads to complete amorphization.
 [1] ;  [2] ;  [3] ;  [4] ;  [5]
  1. Univ. of Paris-Sud, Orsay (France). Centre for Nuclear Science and Matter Sciences (CSNSM)
  2. Centre National de la Recherche Scientifique (CNRS), Limoges (France). Science des Proc'ed'es C'eramiques et Traitements de Surface (SPCTS)
  3. Commissariat a l'Energie Atomique et aux Energies Alternatives (CEA-DEN-DPC-SCCME), Gif-sur-Yvette (France)
  4. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
  5. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
OSTI Identifier:
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 17; Journal ID: ISSN 1098-0121
American Physical Society (APS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
36 MATERIALS SCIENCE; 38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY Silicon carbide; radiation damage; x-ray diffraction; molecular dynamics