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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effect of TiN coating on suppressing Ce-Fe interaction under irradiation

Advanced cladding is critical for fast reactors with the adequate thermal conductivity, mechanical stability and radiation tolerance of the cladding base material, corrosion resistance and high temperature coolant compatibility of the cladding surface, and chemical stability of the cladding inner wall against fuel cladding chemical interaction (FCCI). The preliminary results of recent ion irradiation studies of two diffusion-couple samples of cerium (Ce)/oxide-dispersion strengthened steel (ODS) and Ce/TiN/ODS, irradiated with 80 MeV xenon (Xe) ions to 100 displacements per atom (dpa) at 500°C, are summarized. Significant Ce-Fe interaction occurred in the Ce/ODS sample, and no noticeable Ce-Fe interaction was found in the Ce/TiN/ODS sample. It shows the effectiveness of 1-µm TiN diffusion barrier coated by the pulsed laser deposition on suppressing Ce-Fe interaction, a major contributor to FCCI in cladding. Here, density function theory (DFT) calculations of the impurity diffusivities of Ce and Fe within the Ti sublattice of TiN were performed to assist a mechanistic understanding of the experimental results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Materials Data on CeFe5 by Materials Project

CeFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.89 Å) and twelve longer (3.22 Å) Ce–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Ce and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeCe4Fe8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeFe2 by Materials Project

CeFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Ce–Fe bond lengths are 3.00 Å. Fe is bonded to six equivalent Ce and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeCe6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Fe17 by Materials Project

Ce2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.99–3.29 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ce and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.76 Å. In the second Fe site, Fe is bonded to two equivalent Ce and ten Fe atoms to form FeCe2Fe10 cuboctahedra that share corners with fourteen FeCe2Fe10 cuboctahedra, edges with six equivalent FeCe3Fe9 cuboctahedra, and faces with ten FeCe2Fe10 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.45 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ce and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.62 Å. In the fourth Fe site, Fe is bonded to three equivalent Ce and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeCe3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4Fe by Materials Project

Ce4Fe is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Ce4Fe clusters. Ce is bonded in a single-bond geometry to one Fe atom. The Ce–Fe bond length is 2.41 Å. Fe is bonded in a tetrahedral geometry to four equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Fe17 by Materials Project

Ce2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to eight Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.78–3.08 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Fe atoms. There are a spread of Ce–Fe bond distances ranging from 2.81–3.10 Å. There are eight inequivalent Fe sites. In the first Fe site, Fe is bonded in a 1-coordinate geometry to one Ce and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.80 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Ce and seven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.18–2.77 Å. In the third Fe site, Fe is bonded in a 8-coordinate geometry to two Ce and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–3.10 Å. In the fourth Fe site, Fe is bonded in a distorted rectangular see-saw-like geometry to three Ce and three Fe atoms. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to one Ce and five Fe atoms. Both Fe–Fe bond lengths are 2.56 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to five Fe atoms. There is one shorter (1.98 Å) and one longer (1.99 Å) Fe–Fe bond length. In the seventh Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ce and six Fe atoms. In the eighth Fe site, Fe is bonded in a 2-coordinate geometry to six Fe atoms.

36 MATERIALS SCIENCE↗