Search NASA⌕ Search

SEARCH · Search NASA

Results for “Cr(OF)2”

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.

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Revealing the corrosion mechanism of an Al 0.1 CoCrFeNi high entropy alloy in high temperature carbon dioxide environment

The corrosion behavior of an Al 0.1 CoCrFeNi HEA in high temperature CO 2 at 850 °C for different exposure periods was investigated using different characterization methods. Further, weight gain increased with extended exposure periods, yet it remained lower than most conventional alloys. A double-layer oxide film consisting of Cr 2 O 3 and Al 2 O 3 formed after 100 and 500 h of exposure, while a single layer of Cr 2 O 3 developed after 1000 h of exposure. CoCrFeNi particles with an FCC structure were embedded in the oxide films irrespective of the exposure periods. Moreover, a transition zone containing numerous striped-like Al 2 O 3 oxides along the grain boundaries was developed underneath the oxide films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Three-dimensional Ising ferrimagnetism of Cr-Fe-Cr trimers in FeCr2Te4

We carried out a comprehensive study of magnetic critical behavior in single crystals of ternary chalcogenide Fe Cr 2 Te 4 that undergoes a ferrimagnetic transition below T c ~ 123 K. Detailed critical behavior analysis and scaled magnetic entropy change indicate a second-order ferrimagnetic transition. Critical exponents β = 0.30 ( 1 ) with T c = 122.4 ( 5 ) K , γ = 1.22 ( 1 ) with T c = 122.8 ( 1 ) K , and δ = 4.24 ( 2 ) at T c ~ 123 K suggest that the spins approach the three-dimensional Ising ( β = 0.325 , γ = 1.24 , and δ = 4.82 ) model coupled with attractive long-range interactions between spins that decay as J ( r ) ≈ r - 4.88 . Our results suggest that the ferrimagnetism in Fe Cr 2 Te 4 is due to itinerant ferromagnetism among the antiferromagnetically coupled Cr-Fe-Cr trimers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Isothermal and Cyclic Oxidation of Haynes 282 Processed by Electron Beam Melting (EBM) and Laser Powder Bed Fusion (LPBF) in Dry Air at 800 and 950°C

Here, the isothermal and cyclic oxidation behavior of Haynes 282 (H282) processed by laser powder bed fusion and electron beam melting was compared to its cast counterpart during exposures in air at 800 and 950°C. The specific microstructure of the AM alloys compared to coarse-grain cast 282 resulted in differences in oxidation rates, internal oxidation and spallation behavior. At 800°C, faster Ti diffusion to the surface due to the smaller grain size of the AM alloys led to Ti doping of the Cr 2 O 3 scale and faster oxidation rates. The higher density of grain boundaries also resulted in more pronounced internal oxidation. At 950°C, a duplex Cr 2 O 3 scale was observed with a dense inner layer and porous cracked outer layer with embedded TiO 2 particles. The impact of the external and internal oxide compositions and oxidation-induced elemental depletions on the oxidation lifetime, creep properties and spallation behavior is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(iii) complexes

Understanding how the ligand shell controls low-frequency electron paramagnetic resonance (EPR) spectroscopic properties of metal ions is essential if they are to be used in EPR-based bioimaging schemes. In this work, we probe how specific variations in the ligand structure impact L-band (ca. 1.3 GHz) EPR spectroscopic linewidths in the trichloride salts of five Cr(III) complexes: [Cr(RR-dphen) 3 ] 3+ (RR-dphen = (1R,2R)-(+)-diphenylethylenediamine, 1), [Cr(en) 3 ] 3+ (en = ethylenediamine, 2), [Cr(me-en) 3 ] 3+ (me-en = 1,2-diaminopropane, 3), [Cr(tn) 3 ] 3+ (tn = 1,3-diaminopropane, 4) [Cr(trans-chxn) 3 ] 3+ (trans-chxn = trans-(±)-1,2-diaminocyclohexane, 5). Spectral broadening varies in a nonintuitive manner across the series, showing the sharpest peaks for 1 and broadest for 5. Molecular dynamics simulations provide evidence that the broadening is correlated to rigidity in the inner coordination sphere and reflected in ligand-dependent distribution of Cr–N bond distances that can be found in frozen solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electronic and magnetic properties of iridium-based novel Heusler alloys

We report half-metallicity and magnetism including exchange splitting are the most significant physical parameters to predict and design a candidate material for spintronic applications. We report here an ab-initio investigation on chemical formation and dynamical stability along with electronic structure and magnetic properties of Ir 2 Cr (Si, Ge) and IrRhCr (Si, Ge) Heusler alloys. The negative formation and cohesive energies with positive phonon dispersions confirm the stabilities of these alloys. Electronic structure calculations reveal that Ir 2 Cr (Si, Ge) and IrRhCrSi alloys are half-metallic ferromagnets with unprecedented exchange splitting. In addition, IrRhCrGe also shows semi-metallic nature. All of these materials follow Slater Pauling rule with large magnetic moments and 100% spin-polarization. With Cr bearing the majority of the local magnetic moment and exchange splitting, a ferromagnetic state is more stable than a nonmagnetic state. The electronic charge distribution and population analysis confirm mixed ionic and covalent bonding. The magnetocrystalline anisotropy energy, with the easy magnetization along the [1 1 1] direction, is significantly high in Ir 2 CrGe. Elastic constants such as shear (G), bulk (B), Young’s moduli, and Poisson’s ratio indicate that the IrRhCrSi and IrRhCrGe alloys are mechanically stable, and Ir 2 CrSi and Ir 2 CrGe are mechanically unstable. The Pugh’s (B/G) and Poisson’s ratios confirm that the stable alloys are ductile.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observation of Quantum Anomalous Hall Effect and Exchange Interaction in Topological Insulator/Antiferromagnet Heterostructure

Integration of a quantum anomalous Hall insulator with a magnetically ordered material provides an additional degree of freedom through which the resulting exotic quantum states can be controlled. Here, an experimental observation is reported of the quantum anomalous Hall e?ect in a magnet-ically-doped topological insulator grown on the antiferromagnetic insulator Cr?O?. The exchange coupling between the two materials is investigated using ?eld-cooling-dependent magnetometry and polarized neutron re?ec-tometry. Both techniques reveal strong interfacial interaction between the antiferromagnetic order of the Cr?O? and the magnetic topological insulator, manifested as an exchange bias when the sample is ?eld-cooled under an out-of-plane magnetic ?eld, and an exchange spring-like magnetic depth pro?le when the system is magnetized within the ?lm plane. These results identify antiferromagnetic insulators as suitable candidates for the manipula-tion of magnetic and topological order in topological insulator ?lms.

Pan, Lei↗
DOE OSTI2025

Chemical and Chemical-Mechanical Polishing of Surface Roughness on L-PBF/GRCop-42 Cu-Cr-Nb Additive Manufactured 10-GHz RF Structures

Laser-based powder bed fusion (L-PBF) allows additive manufacture (AM) of lower hybrid current drive (LHCD) radio-frequency (RF) launchers from Glenn Research Copper, a Cr 2 Nb precipitation-hardened alloy (GRCop-42) in configurations unachievable with conventional machining. Rough surfaces in AM components increase RF losses and lead to arcing in high-power vacuum RF applications. Chemical polishing, chemical-mechanical polishing, or a combination of both were utilized to planarize the internal surfaces of RF structures, resulting in surface roughness as low as R a = 0.2 µm. Refinement in polishing techniques now enables GRCop-42 alloys (4 at. % Cr, 2 at. % Nb) to achieve similar surface roughness to GRCop-84 (8 at. % Cr, 4 at. % Nb) and equivalent cavity losses to extruded oxygen-free copper waveguides at 10 GHz.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A Van der Waals Interface Hosting Two Groups of Magnetic Skyrmions

Multiple magnetic skyrmion phases add an additional degree of freedom for skyrmion-based ultrahigh-density spin memory devices. Extending the field to 2D van der Waals magnets is a rewarding challenge, where the realizable degree of freedoms (e.g., thickness, twist angle, and electrical gating) and high skyrmion density result in intriguing new properties and enhanced functionality. In this work, a van der Waals interface, formed by two 2D ferromagnets Cr 2 Ge 2 Te 6 and Fe 3 GeTe 2 with a Curie temperature of ≈65 and ≈205 K, respectively, hosting two groups of magnetic skyrmions, is reported. Two sets of topological Hall effect signals are observed below 6s0 K when Cr 2 Ge 2 Te 6 is magnetically ordered. These two groups of skyrmions are directly imaged using magnetic force microscopy, and supported by micromagnetic simulations. Interestingly, the magnetic skyrmions persist in the heterostructure with zero applied magnetic field. The results are promising for the realization of skyrmionic devices based on van der Waals heterostructures hosting multiple skyrmion phases.

2D magnetism↗
DOE OSTI2022

Physical and Flow Properties of Glass Forming Chemicals (V2O5, SnO, SnO2, Cr2O3, FeCr2O4, and ZrSiO4) and Mixtures

For a sustainable nuclear waste vitrification process at the Hanford Tank Waste Treatment and Immobilization Plant (WTP), proper selection and consistent supply of glass-forming chemicals (GFCs) are crucial. Establishing rigorous acceptance criteria for the characterization of GFCs will be required to operate the vitrification facility and to mitigate any processing issues or failures. Low-activity wastes (LAW) are blended with GFCs to form slurry melter feeds and vitrified in a melter. To enhance properties of waste glasses, new chemicals are being introduced to the current GFC mixture (Vienna et al. 2016; Muller et al. 2017, 2019). In this study, three new GFCs were evaluated for enhanced LAW glass formulations: chromium oxide (Cr 2 O 3 ), vanadium oxide (V 2 O 5 ), and stannic oxide (SnO 2 ). These three oxide components are included in enhanced waste glass (EWG) formulations and GFCs with the appropriate physical and flow properties are needed. As a starting point, single metal oxide GFCs: Cr 2 O 3 , V 2 O 5 , and SnO 2 were sourced and tested. To characterize these new individual GFCs and mixtures of GFCs, the industrial bulk characterization consultant, Jenike and Johanson, was employed to measure physical and flow properties of individual GFCs and their mixtures. Pacific Northwest National Laboratory (PNNL) also measured several selected physical properties for data evaluation as a quality assurance step. In addition, PNNL measured physical and rheological properties of slurry melter feeds containing those GFCs. Subsequent data analyses and verification were conducted. The purpose of this report is to assess the applicability of these GFCs for LAW vitrification based on their properties. This report will help understand measured data and evaluate new GFCs for use. Moreover, this report may give useful insights to help troubleshoot any GFC and melter feed transport and mixing issues that arise during processing, leading to a successful cleanup mission at WTP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Transmission electron microscopy characterization of the fuel-cladding chemical interactions in HT9 cladded U-10Zr fuel

Fuel cladding chemical interaction (FCCI) is a key phenomenon needs to be better understood to establish the design basis for U-10Zr metallic fuel performance. Characterizing the microstructure and chemical composition of FCCI at micron and sub-micron scale is critically important toward a more mechanistic understanding of FCCI phenomenon and its potential effects on cladding integrity and metallic fuel performance. This paper, by using transmission electron microscopy, investigated the FCCI region in HT9 cladded U-10Zr fuel irradiated to 5.7% FIMA burnup at a peak inner cladding temperature of 615 °C in Fast Flux Test Facility (FFTF). Four distinct layers are identified in the FCCI region. The migration of Fe into the fuel side leads to the formation of several U-Zr-Fe ternary phases, including ?-Fe0.5Zr0.32U0.18, e-Fe0.3Zr0.4U0.3, and ?-Fe0.06Zr0.23U0.71, mingled with UFe2, U6Fe, and U phase at various Fe penetration depth up to ~ 150 µm. On the cladding side, grain coarsening and significant lanthanides infiltration along grain boundaries are observed. Laves phase, (Fe,Cr)2(Mo,W), which typically does not exist in fresh HT9, is identified in a wide radial range in the cladding. The typical HT9 martensitic lath structure and pre-existing M23C6 precipitates disappear, partially or completely, depending on the radial distance from the fuel-cladding interface. Those microstructural and compositional changes could cause mechanical degradation in the HT9 cladding. The present characterization results will improve the understanding of FCCI phenomenon and facilitate the development of microstructure-informed FCCI modeling for metallic fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

The quest for safer nuclear fuels

Here, to increase the safety and performance of nuclear reactors, researchers are working on developing ‘accident tolerant’ fuels. Ideally, these fuel pellets will be less susceptible to swelling and be more resistant to extreme heat. This led chemists to develop uranium dioxide (UO 2 ) doped with divalent elements, E 2+ . These dopants can introduce vacancies into the lattice that lead to larger grain sizes, which create longer pathways for fission gasses to migrate out of the grains. In undoped fuel, fission gas build-up at grain boundaries causes the fuel pellet to swell. Therefore, having larger grains that slow fission gas migration into grain boundaries is highly desired. Divalent Cr 2+ ions are a commonly explored dopant for UO 2 fuels. These materials have larger grain sizes while maintaining the dissolution kinetics of undoped UO 2 , making their long-term storage and disposal paths similarly safe. Atomistic models have suggested that Mn 2+ is a conceivable alternative doping material, with the potential to increase the sizes of grains even more than Cr 2+ dopants. As such, experimental studies are required to understand the physical chemistry and reactivity of these potential fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Ferromagnetic Cr 4 PtGa 17 : A Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice

Here, we describe the crystal structure and elementary magnetic properties of a previously unreported ternary intermetallic compound, Cr 4 PtGa 17 , which crystallizes in a rhombohedral unit cell in the noncentrosymmetric space group R3m. The crystal structure is closely related to those of XYZ half-Heusler compounds, where X, Y, and Z are reported to be single elements only, occupying three different face-centered-cubic sublattices. The new material, Cr 4 PtGa 17 , can be most straightforwardly illustrated by writing the formula as (PtGa 2 )(Cr 4 Ga 14 )Ga (X = PtGa 2 , Y = Cr 4 Ga 14 , Z = Ga); that is, the X and Y sites are occupied by clusters instead of single elements. The magnetic Cr occupies a breathing pyrochlore lattice. Ferromagnetic ordering is found below T C ~ 61 K, by both neutron diffraction and magnetometer studies, with a small, saturated moment of ~0.25 μ B /Cr observed at 2 K, making Cr 4 PtGa 17 the first ferromagnetically ordered material with a breathing pyrochlore lattice. A magnetoresistance of ~140% was observed at 2 K. DFT calculations suggest that the material has a nearly half-metallic electronic structure. The new material, Cr 4 PtGa 17 , the first realization of both a half-Heusler-type structure and a breathing pyrochlore lattice, might pave a new way to achieve novel types of half-Heusler compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles

We present a polynomial-scaling algorithm for the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. In this approach, cluster excitations are selected based on a threshold ϵ determined by the absolute gradients of the LAS-UCCSD energy with respect to cluster amplitudes. Using the generalized Wick’s theorem for multireference wave functions, we derive the gradient expression as a polynomial function of one-, two-, and three-body reduced density matrices and 1- and 2-electron integrals, valid for any multireference wave function. The resulting gradient implementation exhibits a memory scaling of 𝒪(N 6 ), with N spin orbitals in the combined active space of all fragments. The variational quantum eigensolver is used to optimize the selected cluster excitations on a quantum simulator. Furthermore, by plotting the energy error, defined as the difference between the LAS-USCCSD and corresponding CASCI energies, against the inverse cluster amplitude selection threshold (ϵ –1 ) for polyene chains containing 2 to 5 π-bond units, we establish a relationship between the energy error and the threshold. To further validate the accuracy of LAS-USCCSD, we computed the cis–trans isomerization energy of stilbene (a 20-qubit system) and the magnetic coupling constant of the tris-hydroxo-bridged chromium dimer [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ (evaluated as both 12- and 20-qubit systems) using the Qiskit-Qulacs simulator. Assessing such examples is important to determine the practical feasibility of quantum simulations for chemically realistic systems. Toward this goal, with the LAS-USCCSD algorithm we estimated the quantum resources required for simulating an active space of (30e,22o) in [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ , a size that remains beyond the reach of current quantum simulators for accurate treatment.

Algorithms↗
DOE OSTI2021

Emulation of neutron damage with proton irradiation and its effects on microstructure and microchemistry of Zircaloy-4

This work assesses the potential of proton irradiation to simulate the neutron damage to the matrix and laves phase Zr(Fe,Cr) 2 precipitates in Zircaloy-4. Isothermal proton irradiation has been performed on Zircaloy-4 samples at irradiation temperatures ranging from 250 to 350 °C. Two-step proton irradiation was also performed to enhance the amorphization of and iron loss from the laves phase Zr(Fe,Cr) 2 precipitates. The irradiated microstructures, including dislocation loops and rafts near SPPs, were observed in proton irradiated Zircaloy-4, which are consistent with neutron irradiated material at a similar damage level. The amount of irradiation-induced hardening after proton irradiation was similar to post neutron irradiated data. The significant amorphization of the SPPs and concurrent Fe redistribution observed on neutron irradiated materials can be effectively emulated using a two-step proton irradiation on Zircaloy-4. Hence, the neutron irradiation effect on Zircaloy-4 can be mostly captured using the two-step proton irradiation described in this study.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanistic insights into sulfate and phosphate-mediated hexavalent chromium removal by tea polyphenols wrapped nano-zero-valent iron

Nano zero-valent iron via green synthesis (g-nZVI) has great potential in removing toxic hexavalent Cr(VI) from industrial wastewater. Sulfate and phosphate in wastewater can influence Cr(VI) removal by g-nZVI. Here, in this study, the Cr(VI) removal kinetics by different g-nZVI materials were investigated with the existence of sulfate and/or phosphate, and the corresponding mechanisms were first revealed using multiple characterizations, including X-ray absorption near-edge spectra (XANES) and X-ray photoelectron spectroscopy (XPS). The results showed that Cr(OH) 3 was the dominant species initially formed on the surface of g-nZVI particles before transforming to Cr 2 O 3 during the reaction of g-nZVI with Cr(VI). Sulfate in wastewater can promote the reduction from Cr(VI) to Cr(OH) 3 by g-nZVI, because sulfate triggers the release of Fe(II) and tea polyphenols (from tea extracts) from the g-nZVI surface due to the corrosion of Fe 0 core, which is in line with an obvious increase in pseudo-second-order rate constant (k 2 ) and subtle change in Cr(VI) removal capacity (q e ). However, phosphate impedes the g-nZVI corrosion and inhibits q e because of the inner-sphere complexation of phosphate onto g-nZVI decreasing the released Fe(II) for Cr 2 O 3 production. When sulfate and phosphate coexisted in contaminated water, the inhibition effect of phosphate in Cr(VI) removal by g-nZVI was stronger than the promotion of sulfate. Accordingly, q e value of g-nZVI declined from 93.4 mg g –1 to 77.5 mg g –1 , while k 2 remained constant as the molar ratio of phosphate/sulfate increased from 0.1 to 10 in water. This study provides new insights into applying g-nZVI in efficient Cr(VI) removal from contaminated water with enrichment of sulphates and phosphates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A comparative study on the physicochemical characteristics of nanoparticles released in vivo from CoCrMo tapers and cement–stem interfaces of total hip replacements

The good biocompatibility and corrosion resistance of the bulk CoCrMo alloy has resulted in it being used in the manufacture of implants and load bearing medical devices. These devices, however, can release wear and corrosion products which differ from the composition of the bulk CoCrMo alloy. The physicochemical characteristics of the particles and the associated in vivo reactivity are dictated by the wear mechanisms and electrochemical conditions at the sites of material loss. Debris released from CoCrMo hip bearings, taper junctions, or cement–stem interfaces can, therefore, have different chemical and morphological characteristics, which provide them with different in vivo toxicities. Here, we propose to assess and compare the characteristics of the particles released in vivo from CoCrMo tapers and cement–stem interfaces which have received less attention compared to debris originating from the hip bearings. The study uses state–of–art characterization techniques to provide a detailed understanding of the size, morphology, composition, and chemistry of the particles liberated from the wear and corrosion flakes from revised hip replacements, with an enzymatic treatment. The phase analyses identified Cr 2 O 3 nanoparticles released from tapers and cement–stem interfaces, whose composition did not vary with origin or particle morphology. The size distributions showed significantly smaller particles were released from the stems, compared to the particles originating from the corresponding tapers. Furthermore, the investigation demonstrates that the tribocorrosive processes occurring at the taper and stem interfaces both result in Cr 2 O 3 nanoparticle formation.

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

Topological surface magnetism and Néel vector control in a magnetoelectric antiferromagnet

Antiferromagnetic states with no stray magnetic fields can enable high-density ultra-fast spintronic technologies. However, the detection and control of antiferromagnetic Néel vectors remain challenging. Linear magnetoelectric antiferromagnets (LMAs) may provide new pathways, but applying simultaneous electric and magnetic fields, necessary to control Néel vectors in LMAs, is cumbersome and impractical for most applications. Herein, we show that Cr 2 O 3 , a prototypical room-temperature LMA, carries a topologically-protected surface magnetism in all surfaces, which stems from intrinsic surface electric fields due to band bending, combined with the bulk linear magnetoelectricity. Consequently, bulk Néel vectors with zero bulk magnetization can be simply tuned by magnetic fields through controlling the magnetizations associated with the surface magnetism. Our results imply that the surface magnetizations discovered in Cr 2 O 3 should be also present in all LMAs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron Energy-Loss Spectroscopy and Differential Phase Contrast Imaging with Active Decision in Multimodal Electron Microscopy: Isotopic detection at the atomic scale

Isotopic engineering provides a powerful route to control phonon behavior in crystalline solids, enabling fundamental studies of lattice dynamics and heat transport at the atomic scale. Here, we directly visualize isotope-dependent phonon propagation in epitaxial Cr 2 O 3 using aberration-corrected scanning transmission electron microscopy (STEM) combined with monochromated, high-energy-resolution electron energy-loss spectroscopy (EELS). Guided by ab initio phonon calculations, we demonstrate that optical phonon modes above 70 meV are predominantly oxygen-derived and exhibit measurable redshifts upon substitution of natural 16 O by enriched 18 O. Spatially resolved vibrational spectrum imaging reveals isotope-enriched tracer layers within Cr 2 O 3 thin films, correlating isotope concentration with phonon intensity variations and vibrational energy shifts. At the nanometer and atomic scales, vibrational EELS mapping uncovers coherent phonon propagation across isotopic interfaces, consistent with theoretical phonon density of states and dispersion relations. These results establish vibrational EELS as a quantitative probe for isotope-dependent phonon transport in materials, opening new possibilities for studying energy dissipation and lattice dynamics.

36 MATERIALS SCIENCE↗