Search NASA⌕ Search

SEARCH · Search NASA

Results for “cerium nitride”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Rapid Sintering Method for Cerium Nitride Pellet: A Uranium Mononitride Surrogate

Uranium mononitride (UN) is a candidate fuel material for light water reactors with higher uranium (U) loading and thermal conductivity than uranium dioxide (UO 2 ). However, the sintering of UN pellets is challenging as the UN powder particles oxidize rapidly at high temperatures unless the oxygen concentration is extremely low. Oxidation during sintering either reduces the relative density of the sintered UN pellet or disintegrates the sintered UN pellet to powder. To address this problem, the present work developed a rapid sintering method for producing highly densified UN surrogate pellets with minimal oxidation. Cerium nitride (CeN) is used as a surrogate for UN to reduce radiation hazards. With the custom-developed fast-heating system, the sintering process was completed within 150 s. The sintering atmosphere was flowing nitrogen (N 2 ). The sintered CeN pellet density was 95% of the theoretical density (TD) or higher. The microstructure was uniform with a 10–25 µm grain size as demonstrated by scanning electron microscopy (SEM) and contained trivial levels of oxides as demonstrated by X-ray diffraction (XRD). The resultant pellets indicate that the rapid sintering method is a promising method to make UN fuel pellets with equivalent or higher density to pellets made by conventional sintering methods, while also being more efficient in time and costs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Synthesis and Characterization of a Bridging Cerium(IV) Nitride Complex

Complexes featuring lanthanide–ligand multiple bonds are rare and highly reactive. They are important synthetic targets to understand 4f/5d-bonding in comparison to d-block and actinide congeners. Herein, the isolation and characterization of a bridging cerium(IV)-nitride complex: [(TriNOx)Ce(Li 2 μ-N)Ce(TriNOx)][BAr F 4 ] is reported, the first example of a molecular cerium-nitride. The compound was isolated by deprotonating a monometallic cerium(IV)-ammonia complex: [Ce IV (NH 3 )(TriNOx)][BAr F 4 ]. The average Ce=N bond length of [(TriNOx)Ce(Li 2 μ-N)Ce(TriNOx)][BAr F 4 ] was 2.117(3) Å. Vibrational studies of the 15 N-isotopomer exhibited a shift of the Ce=N=Ce asymmetric stretch from ν = 644 cm –1 to 640 cm –1 , and X-ray spectroscopic studies confirm the +4 oxidation state of cerium. Furthermore, computational analyses showed strong involvement of the cerium 4f shell in bonding with overall 16% and 11% cerium weight in the σ- and π-bonds of the Ce=N=Ce fragment, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Pressure-induced 𝐵⁢1 to 𝐵⁢2 phase transition in CeN studied by 𝑎⁢𝑏 𝑖⁢𝑛⁢𝑖⁢𝑡⁢𝑖⁢𝑜 correlation matrix renormalization theory calculations

We apply correlation matrix renormalization theory (CMRT) to cerium nitride (CeN) under pressure. For 𝐵⁢1 (NaCl-type) phase, CMRT gives an equation of state consistent with ambient pressure experiments. It produces electronic density-of-state (DOS) characterized by a sharp 4⁢𝑓 quasiparticle resonance peak pinned at the Fermi level and two subbands formed by strong hybridization between the localized Ce-4⁢𝑓 electrons and the itinerant Ce-5⁢𝑑 and N-2⁢𝑝 electrons below the Fermi level, consistent with x-ray photoemission spectroscopy experiments. Upon compression, CMRT predicts a first-order 𝐵⁢1 → 𝐵⁢2 (CsCl-type) transition with ∼11% volume collapse in agreement with experiments. Across the transition, the 4⁢𝑓 spectrum broadens, the 4⁢𝑓 orbital occupancy increases, and the hybridization with conduction states enhances, signaling a crossover from partially localized to more itinerant 4⁢𝑓 behavior. Furthermore, these features are in excellent agreement with experimental observations, demonstrating that CMRT provides a parameter-free description and prediction of correlation-driven structural and electronic transitions in rare-earth compounds.

Ab initio calculations↗
DOE OSTI2020

The HRA/Solarium Project: Feedback Based on 20 Years of Experience in Treatment of Medium Level Waste - 20185

Since the 1980's the management of the historical site of Mol has been transferred to the National Agency for Radioactive Waste and Enriched Fissile Materials (ONDRAF/NIRAS). Belgoprocess is entrusted by ONDRAF/NIRAS with the operational waste management and site remediation. One of the major challenges has been the characterization, treatment and conditioning of approximately 200 m{sup 3} of medium level waste. These waste packages were stored in poor conditions in storage vaults ('HRA') or concrete containers ('Solarium'). They have been produced in various research programs and reactor operations at the Belgian nuclear energy research centre SCK.CEN, isotope production, decontamination and dismantling operations from the 1960's up to the 1980's. Despite the limited volume, this historical waste consists of a great variation of waste characteristics and waste configurations. To tackle these liabilities, a new processing facility was built in the 1990's to allow safe transfers, handling, characterization and treatment of these packages. Also some auxiliary facilities have been built to deal with the by-products, like emptied concrete containers. The engineering of the installation, safety procedures and (characterization) methodology that has been developed generically have been proved to be successful. Nevertheless, the specific nature of some items made it necessary to organize a step-by-step treatment in distinct campaigns in which some relevant extra (safety) measures had to be taken into account. This dynamic approach made it possible to process a great variety of waste types in order to to ensure that this legacy is no longer left for subsequent generations. After about 20 years of operations, there has been a great build-up of experience and feed-back concerning the waste management of these specific waste streams. Some cases will be highlighted to specify the approach followed for treatment of e.g.: - Na/NaK containing equipment; - spent radioactive sources; - fuel element residues; - medium level waste originating from activation experiments; - radium bearing medium level waste originating from Ac-227 production research. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Summary Report on Ion Irradiation Study of Ceramic Coating on Suppressing FCCI

Advanced cladding is critical for advanced nuclear reactors with an enhanced performance in radiation tolerance and neutron transparency. Using advanced cladding will ensure the adequate thermal conductivity and mechanical stability of the cladding base material, corrosion resistance, high-temperature coolant compatibility of the cladding surface, and chemical stability in the cladding inner wall against fuel cladding chemical interaction (FCCI). An innovative cladding with a three-layer structure (i.e., a modified surface, a clad base material, and a modified inner wall) promises to meet all these requirements. Initial research and development (R&D) regarding this innovative cladding seek to demonstrate the effectiveness of a thin ceramic coating in suppressing FCCI under ion irradiation to high dose. This United States (U.S.) Department of Energy (DOE)–Office of Nuclear Energy (NE) project report summarizes the results of recent ion irradiation studies of diffusion-couple samples with details of an ion irradiation experiment, the characterization of the interface microstructure of cerium (Ce)/titanium nitride (TiN)/oxide-dispersion strengthened (ODS), Ce/TiN/iron (Fe), Ce/ODS, and Ce/Fe samples irradiated with 80 million electron-volts (MeV) of xenon (Xe) ions to 100 displacements per atom (dpa) at 500?C using the Argonne Tandem Linac Accelerator System (ATLAS) facility at Argonne National Laboratory (ANL). The results of the ODS-substrate sample are encouraging and demonstrate the effectiveness of a thin ceramic coating on FCCI mitigation under irradiation. The results from an Fe-substrate sample revealed a complex microstructure, and the root cause is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computational discovery of stable and metastable ternary oxynitrides

Materials design from first principles enables exploration of uncharted chemical spaces. Extensive computational searches have been performed for mixed-cation ternary compounds, but mixed-anion systems are gaining increased interest as well. Central to computational discovery is the crystal structure prediction, where the trade-off between reliance on prototype structures and size limitations of unconstrained sampling has to be navigated. We approach this challenge by letting two complementary structure sampling approaches compete. We use the kinetically limited minimization approach for high-throughput unconstrained crystal structure prediction in smaller cells up to 21 atoms. On the other hand, ternary—and, more generally, multinary—systems often assume structures formed by atomic ordering on a lattice derived from a binary parent structure. Thus, we additionally sample atomic configurations on prototype lattices with cells up to 56 atoms. Using this approach, we searched 65 different charge-balanced oxide–nitride stoichiometries, including six known systems as the control sample. The convex hull analysis is performed both for the thermodynamic limit and for the case of synthesis with activated nitrogen sources. We identified 34 phases that are either on the convex hull or within a viable energy window for potentially metastable phases. We further performed structure sampling for “missing” binary nitrides whose energies are needed for the convex hull analysis. Among these, we discovered metastable Ce3N4 as a nitride analog of the tetravalent cerium oxide, which becomes stable under slightly activated nitrogen condition µN > +0.07 eV. Given the outsize role of CeO2 in research and application, Ce3N4 is a potentially important discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Stamping Nanoparticles onto the Electrode for Rapid Electrochemical Analysis in Microfluidics

Electrochemical analysis is an efficient way to study various materials. However, nanoparticles are challenging due to the difficulty in fabricating a uniform electrode containing nanoparticles. We developed novel approaches to incorporate nanoparticles as a working electrode (WE) in a three-electrode microfluidic electrochemical cell. Specifically, conductive epoxy was used as a medium for direct application of nanoparticles onto the electrode surface. Three approaches in this work were illustrated, including sequence stamping, mix stamping, and droplet stamping. Shadow masking was used to form the conductive structure in the WE surface on a thin silicon nitride (SiN) membrane. Two types of nanomaterials, namely cerium oxide (CeO2) and graphite, were chosen as representative nanoparticles. The as-fabricated electrodes with attached particles were characterized using atomic force microscopy (AFM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Electrochemical analysis was performed to verify the feasibility of these nanoparticles as electrodes. Nanomaterials can be quickly assessed for their electrochemical properties using these new electrode fabrication methods in a microfluidic cell, offering a passport for rapid nanomaterial electrochemical analysis in the future.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

MXene/graphitic carbon nitride-supported metal selenide for all-solid-state flexible supercapacitor and oxygen evolution reaction

We report a new type of combination of rare earth metal selenides (Ce 2 Se 3 and Er 2 Se 3 ) with a Ti 3 C 2 T x /S-doped graphitic carbon nitride heterostructure for bifunctional application in flexible supercapacitors and oxygen evolution reactions. The incorporation of S-doped graphitic carbon nitride in MXenes reduced the layer stacking tendency of both two-dimensional sheets and eliminated volume expansion by forming a heterostructure. Cerium and erbium rare earth metal centers induce reactive surface sites, whereas binary layers of Ti 3 C 2 T x /S-doped graphitic carbon nitride provide a conducting matrix for the homogeneous growth of the metal selenides. The assembled all-solid-state flexible asymmetric supercapacitor exhibited a high specific capacitance of 60 F g –1 , an energy density of 10.1 W h kg –1 (volumetric energy density: 0.9 mW h cm –3 ) at 2 A g –1 , and 100% capacitance retention after 10 000 charge–discharge cycles with good flexibility for real-time applications. Furthermore, the optimum nanohybrid showed a low overpotential of 280 mV and a Tafel slope of 99 mV dec –1 with durable electrocatalytic performance. Furthermore, this work is the first to investigate the bifunctional energy efficiency of rare earth metal selenides grown over MXene materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Intergranular Corrosion of Feedstock Modified—Additively Manufactured Stainless Steel After Sensitization

Laser powder bed fusion (LPBF), a metal additive manufacturing technique, was conducted on feedstock-modified 316L stainless steel (316L) powder produced by ball-milling of commercial 316L and 1 wt% additive (cerium oxide—CeO 2 , lanthanum (III) nitrate hexahydrate—La(NO 3 ) 3 ·6H 2 O, and chromium nitride—CrN). The feedstock-modified LPBF-316L specimens were sensitized at 675°C for 24 h, and the influence of additives on intergranular corrosion (IGC) was investigated following ASTM G108-94 and A262-14 standards. The LPBF-316L with La(NO 3 ) 3 ·6H 2 O showed higher IGC resistance. Furthermore, the microstructure of the LPBF specimen was investigated and correlated to understand the improved IGC resistance of LPBF-316L with La(NO 3 ) 3 ·6H 2 O additive.

36 MATERIALS SCIENCE↗