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Title: Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing

Abstract

The development of revolutionary new alloys and composites is crucial to meeting materials requirements for next generation nuclear reactors. The newly developed amorphous silicon oxycarbide (SiOC) and crystalline Fe composite system has shown radiation tolerance over a wide range of temperatures. To advance understanding of this new composite, we investigate the structure and thermal stability of the interface between amorphous SiOC and crystalline Fe by combining various experimental techniques and simulation methods. We show that the SiOC/Fe interface is thermally stable up to at least 400 °C. When the annealing temperature reaches 600 °C, an intermixed region forms at this interface. This region appears to be a crystalline phase that forms an incoherent interface with the Fe layer. Density functional theory (DFT) Molecular dynamics (MD) is performed on the homogeneous SiFeOC phase to study the early stages of 2 formation of the intermixed layer. Both experimental and simulation results suggest this phase has the fayalite crystal structure. As a result, the physical processes involved in the formation of the intermixed region are discussed.

Authors:
ORCiD logo [1];  [2];  [3];  [3];  [4];  [5];  [6];  [3];  [3]; ORCiD logo [1]
  1. Univ. of Nebraska, Lincoln, NE (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Texas A & M Univ., College Station, TX (United States)
  4. Argonne National Lab. (ANL), Argonne, IL (United States)
  5. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  6. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
Argonne National Laboratory, Advanced Photon Source; USDOE Office of Nuclear Energy (NE), Nuclear Energy Enabling Technologies (NEET); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1372391
Alternate Identifier(s):
OSTI ID: 1392212
Report Number(s):
BNL-114110-2017-JA
Journal ID: ISSN 1359-6454; 136394
Grant/Contract Number:  
AC02-06CH11357; NE0000533; SC0012704; AC52-06NA25396; AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 135; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; amorphous silicon oxycarbide; amorphous/crystalline interface; nanocrystalline Fe; thermal stability

Citation Formats

Su, Qing, Zhernenkov, Mikhail, Ding, Hepeng, Price, Lloyd, Haskel, Daniel, Watkins, Erik Benjamin, Majewski, Jaroslaw, Shao, Lin, Demkowicz, Michael J., and Nastasi, Michael. Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing. United States: N. p., 2017. Web. doi:10.1016/j.actamat.2017.06.020.
Su, Qing, Zhernenkov, Mikhail, Ding, Hepeng, Price, Lloyd, Haskel, Daniel, Watkins, Erik Benjamin, Majewski, Jaroslaw, Shao, Lin, Demkowicz, Michael J., & Nastasi, Michael. Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing. United States. doi:10.1016/j.actamat.2017.06.020.
Su, Qing, Zhernenkov, Mikhail, Ding, Hepeng, Price, Lloyd, Haskel, Daniel, Watkins, Erik Benjamin, Majewski, Jaroslaw, Shao, Lin, Demkowicz, Michael J., and Nastasi, Michael. Mon . "Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing". United States. doi:10.1016/j.actamat.2017.06.020. https://www.osti.gov/servlets/purl/1372391.
@article{osti_1372391,
title = {Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing},
author = {Su, Qing and Zhernenkov, Mikhail and Ding, Hepeng and Price, Lloyd and Haskel, Daniel and Watkins, Erik Benjamin and Majewski, Jaroslaw and Shao, Lin and Demkowicz, Michael J. and Nastasi, Michael},
abstractNote = {The development of revolutionary new alloys and composites is crucial to meeting materials requirements for next generation nuclear reactors. The newly developed amorphous silicon oxycarbide (SiOC) and crystalline Fe composite system has shown radiation tolerance over a wide range of temperatures. To advance understanding of this new composite, we investigate the structure and thermal stability of the interface between amorphous SiOC and crystalline Fe by combining various experimental techniques and simulation methods. We show that the SiOC/Fe interface is thermally stable up to at least 400 °C. When the annealing temperature reaches 600 °C, an intermixed region forms at this interface. This region appears to be a crystalline phase that forms an incoherent interface with the Fe layer. Density functional theory (DFT) Molecular dynamics (MD) is performed on the homogeneous SiFeOC phase to study the early stages of 2 formation of the intermixed layer. Both experimental and simulation results suggest this phase has the fayalite crystal structure. As a result, the physical processes involved in the formation of the intermixed region are discussed.},
doi = {10.1016/j.actamat.2017.06.020},
journal = {Acta Materialia},
number = C,
volume = 135,
place = {United States},
year = {Mon Jun 12 00:00:00 EDT 2017},
month = {Mon Jun 12 00:00:00 EDT 2017}
}

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