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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.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Evaluation of quartz melt rate furnace with the nitric-glycolic flowsheet

The Savannah River National Laboratory (SRNL) was tasked to support validation of the Defense Waste Processing Facility (DWPF) melter offgas flammability model for the Nitric-Glycolic (NG) flowsheet. The work is supplemental to the Cold Cap Evaluation Furnace (CEF) testing conducted in 20141 and the Slurry-fed Melt Rate Furnace (SMRF) testing conducted in 20162 that supported Deliverable 4 of the DWPF & Saltstone Facility Engineering Technical Task Request (TTR).3 The Quartz Melt Rate Furnace (QMRF) was evaluated as a bench-scale scoping tool to potentially be used in lieu of or simply prior to the use of the larger-scale SMRF or CEF. The QMRF platform has been used previously to evaluate melt rate behavior and offgas compositions of DWPF glasses prepared from the Nitric-Formic (NF) flowsheet but not for the NG flowsheet and not with continuous feeding.4 The overall objective of the 2016-2017 testing was to evaluate the efficacy of the QMRF as a lab-scale platform for steady state, continuously fed melter testing with the NG flowsheet as an alternative to more expensive and complex testing with the SMRF or CEF platforms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

High-Efficiency Thermoelectric Clothes Dryer (CRADA Final Report)

A typical clothes dryer in the US accounts for 7% of the average residential customer’s electric bill. Nationwide, consumers pay about $\$$9 billion annually for clothes drying. While energy efficiency for most household appliances has improved by a factor of 2 or more in recent decades, today’s clothes dryers perform similarly to units from the 1970s. Dryer efficiency is measured by the combined energy factor (CEF), with today’s units typically drying 3.73 lb of cloth per kWh consumed. An ENERGY STAR qualified unit must achieve 3.93 lb/kWh (for standard size electric units) and dry in less than 80 minutes. ORNL and CRADA partner Samsung Electronics America have developed an efficient prototype clothes dryer that uses thermoelectric heat pumps instead of electric resistance to dry the clothes. The prototype fabricated at ORNL successfully demonstrated in the laboratory a CEF of 6.89 lb/kWh at standard conditions of 75°F and 50% Relative Humidity (RH), exceeding the original project target of 6.0 lb/kWh. Additional trials on the same prototype achieved faster dry time with slightly lower CEF, meeting all requirements for ENERGY STAR product qualification. Deploying dryers with energy factor of 6 nationwide represents a technical potential of 234 TBtu/yr primary energy savings. The modeling and prototype development activities for the thermoelectric clothes dryer under this CRADA are summarized in this final report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Neutron Spectroscopy Study on Crystalline Electric Field Excitations in NdB 4

Herein, the f-electron states of NdB 4 were determined by observing crystalline electric field (CEF) excitations in inelastic neutron scattering experiments. The resulting CEF excitation energies were 2.8, 12.4, 17.2, and 25.4 meV. The f-electron states were simply described by one of the J-multiplets |±J z $\rangle$ with negligibly small mixing. The ground state was the pseudoquartet comprising the ground doublet dominated by |±$\frac{5}{2}$$\rangle$ and the first excited doublet dominated by |±$\frac{7}{2}$$\rangle$ at 2.8 meV, consistent with magnetic specific heat and entropy reported in a previous study. In conclusion, the simple f-electron states in NdB 4 were the consequence of the strong uniaxial and in-plane isotropic CEF potential due to the local structure of Nd 3+ with point symmetry C 2v .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evolution of the Kondo lattice electronic structure above the transport coherence temperature

Significance The temperature ( T )-dependent evolution of the Kondo lattice electronic structure is a long-standing topic of theoretical and experimental investigation, still lacking a truly microscopic theory that agrees with a full experimental characterization. Here multiple characteristic T scales of the interaction of localized f moments with conduction electrons in the Kondo lattice CeCo I n 5 are identified and investigated using angle-resolved photoemission measurements that substantiate dynamical mean-field theory which newly includes the full realism of crystalline electric-field (CEF) f splittings. Thereby errors in the itinerant versus localized f -state classification from standard density functional theory are corrected, microscopic insight into the broad T -range crossover of f -hybridization effects is gained, and a prediction of CEF degeneracy crossover below the lattice coherence T is made.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Boosting Proton Conductivity in Highly Robust 3D Inorganic Cationic Extended Frameworks through Ion Exchange with Dihydrogen Phosphate Anions

The limited long-term hydrolytic stability of rapidly emerging 3D-extended framework materials (MOFs, COFs, MOPs, etc.) is still one of major barriers for their practical applications as new solid-state electrolytes in fuel cells. To obtain hydrolytically stable materials, two H 2 PO 4 − -exchanged 3D inorganic cationic extended frameworks (CEFs) were successfully prepared by a facile anion-exchange method. Both anion-exchanged CEFs (YbO(OH)P and NDTBP) show significantly enhanced proton conductivity when compared with the original materials (YbO(OH)Cl and NDTB) with an increase of up to four orders-of-magnitude, reaching 2.36×10 −3 and 1.96×10 −2 S cm −1 at 98 % RH and 85 °C for YbO(OH)P and NDTBP, respectively. These values are comparable to the most efficient proton-conducting MOFs. In addition, these two anion-exchanged materials are stable in boiling water, which originates from the strong electrostatic interaction between the H 2 PO 4 − anion and the cationic host framework, showing a clear advance over all the acid-impregnated materials (H 2 SO 4 @MIL-101, H 3 PO 4 @MIL-101, and H 3 PO 4 @Tp-Azo) as practical solid-state fuel-cell electrolytes. Finally, this work offers a new general and efficient approach to functionalize 3D-extended frameworks through an anion-exchange process and achieves water-stability with ultra-high proton conductivity above 10 −2 S cm −1 .

anion exchange↗
DOE OSTI2016

Magnetization and transport properties of single crystalline RPd 2 P 2 (R=Y, La–Nd, Sm–Ho, Yb)

Single crystals of RPd 2 P 2 (R=Y, La–Nd, Sm–Ho, Yb) were grown out of a high temperature solution rich in Pd and P and characterized by room-temperature powder X-ray diffraction, anisotropic temperature- and field-dependent magnetization and temperature-dependent in-plane resistivity measurements. In this series, YPd 2 P 2 and LaPd 2 P 2 YbPd 2 P 2 (with Yb 2+ ) are non-local-moment bearing. Furthermore, YPd 2 P 2 and LaPd 2 P 2 are found to be superconducting with Tc≃0.75 and 0.96 K respectively. CePd 2 P 2 and PrPd 2 P 2 magnetically order at low temperature with a ferromagnetic component along the crystallographic c-axis. The rest of the series manifest low temperature antiferromagnetic ordering. EuPd 2 P 2 has Eu 2+ ions and both EuPd 2 P 2 and GdPd 2 P 2 have isotropic paramagnetic susceptibilities consistent with L =0 and J=S= $\frac{7}{2}$ and exhibit multiple magnetic transitions. For R=Eu–Dy, there are multiple, T>1.8 K transitions in zero applied magnetic field and for R=Nd, Eu, Gd, Tb, and Dy there are clear metamagnetic transitions at T=2.0 K for H< 55 kOe. Strong anisotropies arising mostly from crystal electric field (CEF) effects were observed for most magnetic rare earths with L≠0. The experimentally estimated CEF parameters B$_2^0$ were calculated from the anisotropic paramagnetic θ ab and θ c values and compared to theoretical trends across the rare earth series. Lastly, the ordering temperatures as well as the polycrystalline averaged paramagnetic Curie–Weiss temperature, θ ave , were extracted from magnetization and resistivity measurements, and compared to the de-Gennes factor.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Improving thermal and electrochemical performances of LiCoO{sub 2} cathode at high cut-off charge potentials by MF{sub 3} (M=Ce, Al) coating

Highlights: • Fluoride metal is successfully coated on the surface of LiCoO{sub 2}. • Easy and scalable method is adopted for the synthesis of coated-LiCoO{sub 2}. • Appropriate amount of AlF{sub 3} or CeF{sub 3} is beneficial to reduce cation disorder. • The electrochemical performances of coated LiCoO{sub 2} is significantly enhanced at higher potential (cycling efficiency and reversible capacity). • The coated cathode exhibits excellent thermal stability highlighted by calorimetric technique. - Abstract: Surface coating of LiCoO{sub 2} remained one of the efficient methods to enhance its electrochemical and thermal performances, especially at high cut-off potential. In this work, MF{sub 3} (M = Ce, Al) coated LiCoO{sub 2} was synthesized via co-precipitation method followed by a solid state reaction at 400 °C. The morphology and structure of the modified cathode material were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the fluoride compound MF{sub 3} is successfully coated on the surface of LiCoO{sub 2} cathode particles with an average layer thickness about 12 nm and 40 nm for AlF{sub 3} and CeF{sub 3}, respectively. The electrochemical tests show that the AlF{sub 3}-coating layer significantly enhances the cycling performance of LiCoO{sub 2} cathode material, even at high cut-off potential. While the bare LiCoO{sub 2} cathode displays fast fading at 4.6 V vs. Li{sup +}/Li cutoff potential, the surface-modified electrode exhibits the great capacity of 160 mAh g{sup −1} with excellent capacity retention on several cycles. We concluded that the electrochemical and the thermal enhancement at high potential are ascribed to the presence of MF{sub 3} coating layer which prevent the side reaction during the charge discharge process, alleviate the attack by the acidic electrolyte and reduce the damage of electrode structure.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Substitution effect on the magnetic and transport properties of CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}

We report the results of Mn substitution for Ni in CeNi{sub 0.8}Bi{sub 2} (i.e., CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}). All the samples have an antiferromagnetic ordered state below T{sub N} = 5.0 K due to localized 4f-magnetic moment on the Ce ions. Besides this antiferromagnetic ordering caused by Ce, the magnetic and transport properties are abruptly changed with increasing Mn contents at the boundary composition of x = 0.4. The magnetic state is changed into a ferromagnetic state around 200 K for x > 0.4, where the electrical resistivity is strongly suppressed to become simple metallic. These results of ferromagnetism and metallicity can be explained by the double exchange mechanism, rather than the simple picture of Doniach phase diagram. The mixed valence states of Ni and Mn ions are confirmed by X-ray photoelectron spectroscopy. For x ≤ 0.4, the initial Ni{sup 3+} state gradually changes to the Ni{sup 2+} state with increasing x up to 0.4. On further increase of x > 0.4, the Ni{sup 2+} state is replaced by the Mn{sup 2+} state, which gradually changes to the final Mn{sup 3+} state. We also present an inelastic neutron scattering (INS) measurements on CeNi{sub 0.8}Bi{sub 2} (i.e., x = 0) between 1.2 and 12 K. The high energy INS study reveals the presence of two well-defined crystal electric field (CEF) excitations near 9 meV and 19 meV at 1.2 K and 6 K, while the low energy INS study reveals the presence of quasielastic scattering above 4 K. We will discuss our INS results of CeNi{sub 0.8}Bi{sub 2} based on the CEF model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Activation of cyclic electron flow by hydrogen peroxide in vivo

Significance Cyclic electron flow around photosystem I (CEF) is critical for balancing the energy budget of photosynthesis, but its regulation is not well understood. Our results provide evidence that hydrogen peroxide, which is produced as a result of imbalances in chloroplast redox state, acts as a signaling agent to activate CEF in higher plants in vivo.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds

Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the 5f shell directly in the HERFD-XAS spectra of actinides. Using ThO 2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO 2 is not an ionic compound as previously believed. The Th 6d occupancy in the ground state was estimated to be twice that of the Th 5f states. Here, we demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems.

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

Magnetic ground state and perturbations of the distorted kagome Ising metal TmAgGe

Here, we present the magnetic orders and excitations of the distorted kagome intermetallic magnet TmAgGe. Using neutron single crystal diffraction we identify the propagation vectors k = ($\frac{1}{2}$ 0 0) and k = (0 0 0) and determine the magnetic structures of the zero-field and magnetic field-induced phases for H along the $\mathcal{a}$ and [–110] crystal directions. We determine the experimental magnetic field- temperature (H, T)-phase diagram and reproduce it by Monte Carlo simulations of an effective spin exchange Hamiltonian for one distorted kagome layer. Our model includes a strong axial single-ion anisotropy and significantly smaller exchange couplings, which span up to the third-nearest neighbors within the layer. Single crystal inelastic neutron scattering (INS) measurements reveal an almost flat, only weakly dispersive mode around 7 meV that we use alongside bulk magnetization data to deduce the crystal-electric field (CEF) scheme for the Tm 3+ ions. Random phase approximation (RPA) calculations based on the determined CEF wave functions of the two lowest quasidoublets enable an estimation of the interlayer coupling that is compatible with the experimental INS spectra. No evidence for low-energy spin waves associated to the magnetic order was found, which is consistent with the strongly Ising nature of the ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Crystal electric field excitations in the quasicrystal approximant TbCd 6 studied by inelastic neutron scattering

Here, we have performed inelastic neutron scattering measurements on powder samples of the quasicrystal approximant, TbCd 6 , grown using isotopically enriched 112 Cd. Both quasielastic scattering and distinct inelastic excitations were observed below 3 meV. The intensity of the quasielastic scattering measured in the paramag- netic phase diverges as T N ~ 22 K is approached from above. The inelastic excitations, and their evolution with temperature, are well characterized by the leading term, B$0\atop{2}$O$0\atop{2}$, of the crystalline electric field (CEF) level scheme for local pentagonal symmetry for the rare-earth ions [1] indicating that the Tb moment is directed primarily along the unique local pseudo-five-fold axis of the Tsai-type clusters. We also find good agreement between the inverse susceptibility determined from magnetization measurements using a magnetically diluted Tb 0.05 Y 0.95 Cd 6 sample and that calculated using the CEF level scheme determined from the neutron measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Crystal field levels and magnetic anisotropy in the kagome compounds Nd 3 Sb 3 Mg 2 O 14 , Nd 3 Sb 3 Zn 2 O 14 , and Pr 3 Sb 3 Mg 2 O 14

Here, we report the crystal field levels of several newly discovered rare-earth kagome compounds: Nd 3 Sb 3 Mg 2 O 14 , Nd 3 Sb 3 Zn 2 O 14 , and Pr 3 Sb 3 Mg 2 O 14 . We determine the crystal electric field (CEF) Hamiltonian by fitting to neutron scattering data using a point charge Hamiltonian as an intermediate fitting step. The fitted Hamiltonians accurately reproduce bulk susceptibility measurements, and the results indicate easy-axis ground-state doublets for Nd 3 Sb 3 Mg 2 O 14 and Nd 3 Sb 3 Zn 2 O 14 and a singlet ground state for Pr 3 Sb 3 Mg 2 O 14 . These results provide the groundwork for future investigations of these compounds and a template for CEF analysis of other low-symmetry materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Excitation spectrum and low-temperature magnetism in the disordered defect-fluorite Ho2⁢Zr2⁢O7

In this work, we report on the thermomagnetic characterization and crystalline-electric field (CEF) energy scheme of the disordered defect-fluorite Ho2⁢Zr2⁢O7. This structural phase is distinguished by the coexistence of magnetic frustration and extensive disorder, with Ho3+ and Zr4+ sharing randomly the same 4⁢𝑎 site with even 50% occupancy, and an average 1/8 oxygen vacancy per unit cell. AC magnetic susceptibility measurements performed on powder samples down to 0.5 K revealed signs of slowing spin dynamics without glassy behavior, including a frequency dependent peak at ∼1K. Yet, no evidence for long-range magnetic order is found down to 200 mK in the specific heat. Inelastic neutron scattering measurements show a weak, low-lying CEF excitation around 2 meV, accompanied by a broad level centered at 60 meV. To fit our observations, we propose an approach to account for structural disorder in the crystal-field splitting of the non-Kramers Ho3+. Our model provides an explanation to the broadening of the high-energy, single-ion excitations and suggests that the zirconate ground-state wavefunction has zero magnetic moment. Through the breaking of local symmetry, structural disorder enables the magnetic response observed in Ho2⁢Zr2⁢O7, allowing the mixing of low-lying states at finite temperatures. Finally, we show that this scenario is in good agreement with the bulk properties reported in this work.

Gardner, Jason [ORNL] (ORCID:0000000278234072)↗
DOE OSTI2022

Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data

We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty in CEF parameters can be large despite visually excellent fits. These results show Yb ^{3+} 3 + compounds have particularly large g g -tensor uncertainty because of the few available peaks. In such cases, additional constraints are necessary for meaningful fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Nitric-glycolic flowsheet evaluation with the slurry-fed melt rate furnace

The Savannah River National Laboratory (SRNL) was tasked to support validation of the Defense Waste Processing Facility (DWPF) melter offgas flammability model for the nitric-glycolic (NG) flowsheet. The work supports Deliverable 4 of the DWPF & Saltstone Facility Engineering Technical Task Request (TTR)1 and is supplemental to the Cold Cap Evaluation Furnace (CEF) testing conducted in 2014.2 The Slurry-fed Melt Rate Furnace (SMRF) was selected for the supplemental testing as it requires significantly less resources than the CEF and could provide a tool for more rapid analysis of melter feeds in the future. The SMRF platform has been used previously to evaluate melt rate behavior of DWPF glasses, but was modified to accommodate analysis of the offgas stream. Additionally, the Melt Rate Furnace (MRF) and Quartz Melt Rate Furnace (QMRF) were utilized for evaluations. MRF data was used exclusively for melt behavior observations and REDuction/OXidation (REDOX) prediction comparisons and will be briefly discussed in conjunction with its support of the SMRF testing. The QMRF was operated similarly to the SMRF for the same TTR task, but will be discussed in a separate future report. The overall objectives of the SMRF testing were to; 1) Evaluate the efficacy of the SMRF as a platform for steady state melter testing with continuous feeding and offgas analysis; and 2) Generate supplemental melter offgas flammability data to support the melter offgas flammability modelling effort for DWPF implementation of the NG flowsheet.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Washington Clean Energy Fund: Energy Storage System Consolidated Performance Test Results

This report provides an overview of test results for four energy storage systems funded under the Washington Clean Energy Fund deployed at three utilities in Washington State. Integration of energy storage into the U.S. grid has been gathering momentum across the industry, especially as penetration of power generated by renewable resources increases. Several states have storage procurement targets to deal with a variety of issues, such as afternoon total system load ramping requirements, frequency regulation/control, and integration power generated from by renewable resources. This report presents the performance test results for battery energy storage systems (BESS) funded by the Washington Clean Energy Fund (CEF) 1 Program ($\$$14.3 million in state funding supporting a total investment of $\$$43 million). For each project, the technical attributes of the BESS were tested, defined, and evaluated in detail. These projects were funded jointly by Avista, the Snohomish Public Utility District (SnoPUD), Puget Sound Energy (PSE), the Washington CEF, and the U.S. Department of Energy Office of Electricity Delivery and Energy Reliability (DOE-OE).

24 POWER TRANSMISSION AND DISTRIBUTION↗