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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Influence of non-stationary field of magnetospheric convection on the D-region

Perturbations of F region electron density caused by the extension of magnetospheric convection electric field to middle latitudes are already well known. For the D region of the first observations are believed to be reported by Eliseyev, Kashpar and Nikitin (1988). On several occasions, following the southward turning of the Bz-component of interplanetary magnetic field (IMF) small disturbances of the D region electron density were detected at night by steep-incidence VLF sounding, which may be attributed to the influence of the penetrated convection electric field (CEF). Some evidence is given of a local time dependence of the CEF effect in the D region and a rather good correlation is demonstrated at the initial stage of disturbance between high latitude magnetic field variations and simultaneous perturbation of the midlatitude ionospheric reflection height.

Eliseyev, A. YU.↗
DOE OSTI2018

Transcriptome and phenotyping analyses support a role for chloroplast sigma factor 2 in red‐light‐dependent regulation of growth, stress, and photosynthesis

Abstract Sigma factor ( SIG ) proteins contribute to promoter specificity of the plastid‐encoded RNA polymerase during chloroplast genome transcription. All six members of the SIG family, that is, SIG 1– SIG 6, are nuclear‐encoded proteins targeted to chloroplasts. Sigma factor 2 ( SIG 2) is a phytochrome‐regulated protein important for stoichiometric control of the expression of plastid‐ and nuclear‐encoded genes that impact plastid development and plant growth and development. Among SIG factors, SIG 2 is required not only for transcription of chloroplast genes (i.e., anterograde signaling), but also impacts nuclear‐encoded, photosynthesis‐related, and light signaling‐related genes (i.e., retrograde signaling) in response to plastid functional status. Although SIG 2 is involved in photomorphogenesis in Arabidopsis, the molecular bases for its role in light signaling that impacts photomorphogenesis and aspects of photosynthesis have only recently begun to be investigated. Previously, we reported that SIG 2 is necessary for phytochrome‐mediated photomorphogenesis specifically under red (R) and far‐red light, thereby suggesting a link between phytochromes and nuclear‐encoded SIG 2 in light signaling. To explore transcriptional roles of SIG 2 in R‐dependent growth and development, we performed RNA sequencing analysis to compare gene expression in sig2‐2 mutant and Col‐0 wild‐type seedlings at two developmental stages (1‐ and 7‐day). We identified a subset of misregulated genes involved in growth, hormonal cross talk, stress responses, and photosynthesis. To investigate the functional relevance of these gene expression analyses, we performed several comparative phenotyping tests. In these analyses, strong sig2 mutants showed insensitivity to bioactive GA 3 , high intracellular levels of hydrogen peroxide (H 2 O 2 ) indicative of a stress response, and specific defects in photosynthesis, including elevated levels of cyclic electron flow ( CEF ) and nonphotochemical quenching ( NPQ ). We demonstrated that SIG 2 regulates a broader range of physiological responses at the molecular level than previously reported, with specific roles in red‐light‐mediated photomorphogenesis.

Oh, Sookyung↗
DOE OSTI2020

Identification of Blue Discoloration in PBX 9404 using Ultrahigh Pressure Liquid Chromatography with Quadrupole Time-of-Flight Mass Spectrometry

PBX 9404, composed of 94 wt% HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazoctane), 3 wt% NC (nitrocellulose), 2.9 wt% CEF (tris(beta-chloroethyl) phosphate) and 0.1 wt% DPA (diphenylamine), has often been observed with a slight to entire blue discoloration of the manufactured prills. This blue discoloration has been observed since the formulation development of PBX 9404 in the late 1950s. In order to determine the source of the blue discoloration in PBX 9404, ultraviolet/visible (UV/Vis) absorbance of PBX 9404 and two potential candidates for the discoloration, p-nitrosodiphenylamine (p-NDPA) and N-nitrosodiphenylamine (N-NDPA) were evaluated. An absorbance band at 590 nm in PBX 9404 sample was attributed to the blue discoloration while p-NDPA and N-NPDA had different absorbance bands. Using the knowledge gained from the UV/Vis analysis, a semi-targeted approach using ultrahigh pressure liquid chromatography coupled to UV/Vis detector and quadrupole time of flight mass spectrometry (UHPLC-UV/Vis-QTOF) was implemented. Investigating the UHPLC-UV/Vis-QTOF chromatograms at a wavelength of 590 nm, a single compound was tentatively identified as being the source of the blue discoloration. Targeted tandem mass spectrometry (MS/MS) on the compound and subsequent analysis indicated that 4,4 -{[4-(Phenylimino)-2,5-cyclohexadien-1-ylidene]methylene}bis(N-phenylaniline), also known as Spirit Blue Base, was the source of the blue discoloration, which was confirmed using a standard. Here, a theory on the formation of Spirit Blue Base in PBX 9404 involving DPA, nitric acid (HNO 3 ) / nitrogen oxide(s) NO x , and formaldehyde is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Thermodynamic assessment of the U–La–O system

The CALPHAD methodology was used to develop a thermodynamic assessment of the U-La-O system. The solid solution and liquid phases are described with the compound energy formalism and the partially ionic two-sublattice liquid model respectively. A density functional theory (DFT) calculation for the lattice stability of the fictive lanthanum oxide fluorite structure compound is used to determine the Gibbs energies for the La containing end-members in the CEF model for U 1-y La y O 2+x . Experimental thermodynamic and phase equilibria data were then used in optimizations to develop representations of the phases in the system that can be extended to include other actinide and fission products to develop multi-component models. The models that comprise this assessment very well reproduce experimentally determined oxygen potentials and the observed phase relations for the U-La-O system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thermodynamic assessment of the U–Y–O system

We developed a CALPHAD assessment of the U-Y-O system. To represent the YO2 compound in the compound energy formalism (CEF) for U 1-y Y y O 2± x , the lattice stability was calculated using density functional theory (DFT) while a partially ionic liquid sub-lattice model is used to describe the liquid phase. Moreover, a Gibbs function for the stoichiometric rhombohedral UY 6 O 12 phase is proposed. Models representing the phases in the U-O and Y-O systems taken from the literature along with the phases that appear in the U-Y-O ternary are combined to form a unified assessment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Production of anhydrous ƒ-element fluorides through the ionothermal treatment of ƒ-element oxalates

The pivotal role of uranium and plutonium fluorides in the nuclear fuel cycle, particularly in the pyrochemical reduction process, is well recognized. Traditionally, the fluorination of uranium and plutonium materials relies on the use of highly toxic and corrosive gases (e.g., HF (g) , F 2(g) ). Herein, we present an alternative approach using the ionic liquid 1‑butyl‑3-methylimidazolium hexafluorophosphate ([Bmim][PF 6 ] (l) ) and/or hexafluorophosphoric acid (HPF 6(aq) ) as fluorinating agents for the ƒ-element oxalates M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) M$^{III}_{2}$(C 2 O 4 ) 3 ∙ 9H 2 O (s) (M III = Ce, Pu) and M IV (C 2 O 4 ) 2 ∙ 6H 2 O (s) (M IV = Th, U). Our findings demonstrate that [Bmim][PF 6 ] (l) and HPF 6(aq) enable the ionothermal fluorination of ƒ-element oxalates, resulting in the formation of anhydrous CeF 3(s) , ThF 4(s) , and UF 4(s) within 2 hours at 200 °C. This method also facilitates the partial fluorination of plutonium(III) oxalate, yielding a mixture of anhydrous PuF 3(s) and an unidentified phase. Overall, the ionothermal treatment approach offers a safer and more efficient means of producing anhydrous ƒ-element fluorides than conventional methods involving hazardous gases. In addition, we describe the morphology of UF 4(s) materials as a function of production route and demonstrate the presence of morphological signatures that could be used during a nuclear forensic investigation.

Cerium↗
DOE OSTI2017

Investigation on the preparation and luminescence emission of LaF{sub 3}:Eu{sup 3+}@LaF{sub 3}/SiO{sub 2} core-shell nanostructure

LaF{sub 3}:Eu{sup 3+}, LaF{sub 3}:Eu{sup 3+}@LaF{sub 3}, LaF{sub 3}:Eu{sup 3+}@CeF{sub 3} and LaF{sub 3}:Eu{sup 3+}@SiO{sub 2} nanoparticles were successfully synthesized via hydrothermal route and modified Stöber method. The surface property of LaF{sub 3}:Eu{sup 3+} particle was successfully modified by coating LaF{sub 3} and SiO{sub 2} shell onto the particle, which resulted in the change of the surface property and luminescence emission of LaF{sub 3}:Eu{sup 3+}. It was found that the surface quenchers were decreased and thus the nonradiative pathways were reduced with core/shell structure, which not only enhanced the yellow emission of the sample, but also changed the intensity ratio of the yellow to orange emission. The dependence of the shell property and shell thickness on the luminescence emission spectra were investigated systematically. The current investigation can provide useful information for developing applications in biological imaging, detection, and sensing and other aspects.

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

Examination of Molten Salt Reactor Relevant Elements Using Hydrothermal Synthesis

The structural chemistry of elements relevant to the FLiBe molten salt reactor, Th, U, Np, and Zr, including Ce andNd (as analogues for Pu and Am, respectively), have been examined using hydrothermal synthesis at 200 °C. These reactions serve to model the reaction of molten salts under hydrolysis conditions. The results show that U and Np formed LiAnF 5 , while Ce formed Li 4 CeF 8 . The source of U also controlled the crystal quality, where UO 2 gave small crystals, while UO 3 ·2H 2 O gave very large crystals. It is likely that Be incorporation was not observed because of the high solubility of [BeF 4 ] 2– in water. Zr formed a third product, Li 6 BeF 4 ZrF 8 , which features isolated [BeF 4 ] 2– and [ZrF 8 ] 4– units bridged by Li + . Additionally, Li 2 BeF 4 was regularly isolated. As a result, when little to no alkali metal was included in the reaction, M 3 F 12 (H 2 O) was isolated for Np, U, and Ce.

Anions↗
DOE OSTI2015

Heavy fermion Ce{sub 3}Co{sub 4}Sn{sub 13} compound under pressure

The non-magnetic heavy fermion compound Ce{sub 3}Co{sub 4}Sn{sub 13} was studied under pressure. We report single crystalline measurements of electrical resistivity as a function of temperature ρ(T) under pressure. Some characteristic features related to a structural transition (T{sub S}), crystalline field effects (T{sub CEF}), and a low temperature maximum (T{sub max}), possibly connected simultaneously to the onset of Kondo lattice coherence and short range magnetic correlations, were identified in the ρ(T) data. A pressure-temperature phase diagram with T{sub S} and T{sub max} was constructed by mapping these features. Like for most Ce-based heavy fermion compounds, T{sub max} moves to higher temperatures with pressure, indicating that it is related to the Kondo energy scale, due to the increase of hybridization induced by pressure. On the other hand, T{sub S}, associated to a superlattice distortion and probably combined with a charge density wave transition, decreases as a function of pressure. However, differently from the Sr{sub 3−x}Ca{sub x}Ir{sub 4}Sn{sub 13} system, where a superlattice quantum phase transition is observed [L. E. Klintberg et al., Phys. Rev. Lett. 109, 237 008 (2012)], in Ce{sub 3}Co{sub 4}Sn{sub 13} T{sub S} ∼ 154 K, at ambient pressure (P = 0), seems to stabilize at around 143 K for P ≥ 19 kilobars. We also investigated ρ(T) in external magnetic fields, at P = 0. Negative magnetoresistance and increase of T{sub max} are observed, suggesting suppression of low temperature short range magnetic correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Hidden frustration in the triangular-lattice antiferromagnet NdCd 3 ⁢P 3

We report a study of the magnetic ground state and crystal electric field (CEF) scheme in the triangular-lattice antiferromagnet NdCd 3 ⁢P 3 . Combined neutron scattering, magnetization, and heat capacity measurements demonstrate that the Nd 3+ moments occupying the triangular lattice in this material harbor hidden signs of frustration not detected in typical Curie-Weiss-based parametrization of the frustration index (𝑓 = Θ 𝐶⁢𝑊 /𝑇 𝑁 ). This is evidenced by a zero-field splitting of the Kramers' ground state and first excited state doublets at temperatures far in excess of 𝑇 𝑁 as well as signatures of low-energy fluctuations for 𝑇 ≫ 𝑇 𝑁 . As a result, a suppression of the zero-field ordered moment relative to its field saturation value is observed, and the impacts of this magnetic frustration as well as the coexisting bond frustration in the CdP honeycomb network on the physical properties of NdCd 3 ⁢P3 are discussed.

Frustrated magnetism↗
DOE OSTI2015

Decoupling of the antiferromagnetic and insulating states in Tb-doped Sr 2 IrO 4

Sr 2 IrO 4 is a spin-orbit coupled insulator with an antiferromagnetic (AFM) transition at T N = 240 K. We report results of a comprehensive study of single-crystal Sr 2 Ir 1-x Tb x O 4 (0≤x≤0.03). This study found that mere 3% (x=0.03) tetravalent Tb 4+ (4f 7 ) substituting for Ir 4+ (rather than Sr 2+ ) completely suppresses the long-range collinear AFM transition but retains the insulating state, leading to a phase diagram featuring a decoupling of magnetic interactions and charge gap. The insulating state at x = 0.03 is characterized by an unusually large specific heat at low temperatures and an incommensurate magnetic state having magnetic peaks at (0.95, 0, 0) and (0, 0.95, 0) in the neutron diffraction, suggesting a spiral or spin density wave order. It is apparent that Tb doping effectively changes the relative strength of the SOI and the tetragonal CEF and enhances the Hund’s rule coupling that competes with the SOI, and destabilizes the AFM state. However, the disappearance of the AFM accompanies no metallic state chiefly because an energy level mismatch for the Ir and Tb sites weakens charge carrier hopping and renders a persistent insulating state. Furthermore, this work highlights an unconventional correlation between the AFM and insulating states in which the magnetic transition plays no critical role in the formation of the charge gap in the iridate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Antiferromagnetic ordering and dipolar interactions of YbAlO 3

Here, we report low-temperature magnetic properties of the rare-earth perovskite material YbAlO 3 . Results of elastic and inelastic neutron scattering experiment, magnetization measurements along with the crystalline electrical field (CEF) calculations, indicate that the ground state of Yb moments is a strongly anisotropic Kramers doublet, and the moments are confined in the ab plane, pointing at an angle of φ=±23.5° to the $a$ axis. With temperature decreasing below T N =0.88 K, Yb moments order into the coplanar but noncollinear antiferromagnetic (AFM) structure $AxGy$, where the moments are pointed along their easy axes. In addition, we highlight the importance of the dipole-dipole interaction, which selects the type of magnetic ordering and may be crucial for understanding magnetic properties of other rare-earth orthorhombic perovskites. Further analysis of the broad diffuse neutron scattering shows that one-dimensional interaction along the c axis is dominant and implies YbAlO 3 as a new member of one-dimensional quantum magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Synthesis, magnetization, and heat capacity of triangular lattice materials NaErSe 2 and KErSe 2

In this paper we report the synthesis, magnetization, and heat capacity of the frustrated magnets A ErSe 2 ( A = Na , K ) which contain perfect triangular lattices of Er 3 + . The magnetization data suggests no long-range magnetic order exists in A ErSe 2 ( A = Na , K ), which is consistent with the heat capacity measurements. Large anisotropy is observed between the magnetization within the a b plane and along the c axis of both compounds. When the magnetic field is applied along the a b plane, anomalies are observed at 1.8 μ B in NaErSe 2 at 0.2 T and 2.1 μ B in KErSe 2 at 0.18 T. Unlike NaErSe 2 , a plateaulike field-induced metamagnetic transition is observed for H ∥ c below 1 K in KErSe 2 . Two broad peaks are observed in the heat capacity below 10 K indicating possible crystal electric field (CEF) effects and magnetic entropy released under different magnetic fields. All results indicate that A ErSe 2 are strongly anisotropic, frustrated magnets with field-induced transition at low temperature. The lack of signatures for long-range magnetic order implies that these materials are candidates for hosting a quantum spin liquid ground state.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A combined experimental and computational thermodynamic investigation of the U-Th-O system

Here, the thermodynamics of the U–Th–O system have been assessed using the Calphad method. The compound energy formalism (CEF) and a partially ionic two-sublattice liquid model (TSLM) were used for the fluorite U 1–y Th y O 2±x , γ-(U,Th) 4 O 9 , and the U–Th–O melt. The O 2 activity of fluorite U 1–y Th y O 2±x with temperature and composition was determined by thermogravimetric analysis. Thermodynamic studies for the Th–O binary and U–Th–O ternary available in the open literature were critically reviewed. A self-consistent data set was selected and compiled with the equilibrium oxygen pressures determined by thermogravimetry in order to optimize the adjustable parameters of models selected to represent the phases in the Th–O and U–Th–O systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modernization of PLC-Based Control Systems at SNS

When the SNS site was built around 20 years ago, the Conventional Facilities (CF) control systems were de-signed using 2 communication protocols to allow pro-grammable logic controllers (PLCs) to interface with motors, variable frequency drives (VFDs), and remote input and output (I/O) devices. The protocol chosen to control motors and VFDs is DeviceNet, a CANbus-based protocol developed by Allen-Bradley, a subsidiary of Rockwell Automation. The protocol chosen to communi-cate with remote I/O is ControlNet, another protocol developed by Allen-Bradley. Both of these protocols are obsolete and present reliability and maintainability is-sues, particularly DeviceNet. As the Control Systems Section at SNS is working to modernize control systems throughout the machine, a major goal for PLC-based systems is to remove the obsolete communication proto-cols in favor of standard, ubiquitous Ethernet. To this end, any new VFDs installed use Ethernet communica-tion. Many VFDs are currently being replaced in the Central Utilities Building (CUB) and the Central Exhaust Facility (CEF) and are being removed from DeviceNet in favor of Ethernet communication. Planning is underway to retrofit Eaton Intelligent Technology motor control centers (MCCs) in the Target Building to remove particu-larly troublesome DeviceNet adaptors and replace them with Ethernet adaptors for each motor starter. The Con-trolNet network in the CUB has been demolished, with I/O drops integrated into a local Ethernet network, im-proving sustainability and maintainability.

Beaushaw, Isaiah [ORNL]↗
DOE OSTI2017

Transactive Campus Energy Systems: Final Report

Transactive energy refers to the combination of economic and control techniques to improve grid reliability and efficiency. The fundamental purpose of transactive energy management is to seamlessly coordinate the operation of large numbers of new intelligent assets—such as distributed solar, energy storage and responsive building loads—to provide the flexibility needed to operate the power grid reliably and at minimum cost, particularly one filled with intermittent renewable generation such as the Pacific Northwest. It addresses the key challenge of providing smooth, stable, and predictable “control” of these assets, despite the fact that most are neither owned nor directly controlled by the power grid. The Clean Energy and Transactive Campus (CETC) work described in this report was done as part of a Cooperative Research and Development Agreement (CRADA) between the U.S. Department of Energy’s Pacific Northwest National Laboratory (PNNL) and the Washington State Department of Commerce (Commerce) through the Clean Energy Fund (CEF). The project team consisted of PNNL, the University of Washington (UW) and Washington State University (WSU), to connect the PNNL, UW, and WSU campuses to form a multi-campus testbed for transaction-based energy management—transactive—solutions. Building on the foundational transactive system established by the Pacific Northwest Smart Grid Demonstration (PNWSGD), the purpose of the project was to construct the testbed as both a regional flexibility resource and as a platform for research and development (R&D) on buildings/grid integration and information-based energy efficiency. This report provides a summary of the various tasks performed under the CRADA.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗