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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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12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Micro-scale energy valorization of grape marcs in winery production plants

Highlights: • BioMethane Potential of grape marcs was investigated. • Grape marcs were characterized to realize a micro-scale energy recovery. • Comparative BMP batch-tests utilizing lab-scale reactors were performed. • Biogas valorization by grape marcs anaerobic digestion at small scale is evaluated. - Abstract: The BiochemicalMethanePotential (BMP) of winery organic waste, with reference to two Italian red and white grapes (i.e. Nero Buono and Greco) by-products was investigated. The study was carried out to verify the possibility to reduce the production impact in a green-waste-management-chain-perspective. The possibility to efficiently utilize wine-related-by-products for energy production at a micro-scale (i.e. small-medium scale winery production plant) was also verified. Results showed as a good correlation can be established between the percentage of COD removal and the biogas production, as the winery can produce, from its waste methanization, about 7800 kW h year{sup −1} electrical and 8900 kW h year{sup −1} thermal. A critical evaluation was performed about the possibility to utilize the proposed approach to realize an optimal biomass waste management and an energetic valorization in a local-energy-production-perspective.

09 BIOMASS FUELS↗
DOE OSTI2024

β -delayed neutron emission of Mn 64 , Cr 62 , and Fe 65

The β-decay properties of nuclei near the second nuclear “island of inversion” around neutron rich nuclei with neutron number 40 are important tests of nuclear structure models and interactions. In particular, the β-delayed neutron emission branch (Ρ n ), is useful for investigating β-strength and neutron-γ competition above the neutron separation energies of the daughter nuclei. We report new constraints for Ρ n values for three nuclei in the region: 62 Cr (Ρ n <1%), 64 Mn (Ρ n = 1.5⁢(6)%), and 65 Fe (Ρ n < 1%), measured with the Neutron Emission Ratio Observer (NERO) neutron long counter system and the Beta Counting Station (BCS) at the National Superconducting Cyclotron Laboratory (NSCL). Our results resolve the large discrepancy between previous direct and indirect measurements for 64 Mn and confirm the predictions of global theoretical models when a statistical treatment of the γ and neutron decays of the daughter states is included. Here we also obtain improved half-lives for 62 Cr [206(5) ms] and the short-lived isomer in the 62 Fe daughter [112(7) ms] from β-delayed γ emission data obtained in the same experiment with the Summing NaI (SuN) total absorption spectrometer. Finally, we use γ emission data to obtain a new upper limit for the 62 Cr β-decay population of the long-lived isomeric state in 62 Mn.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

β Decay of 61 V and its Role in Cooling Accreted Neutron Star Crusts

The interpretation of observations of cooling neutron star crusts in quasipersistent x-ray transients is affected by predictions of the strength of neutrino cooling via crust Urca processes. The strength of crust Urca neutrino cooling depends sensitively on the electron-capture and β -decay ground-state-to-ground-state transition strengths of neutron-rich rare isotopes. Nuclei with a mass number of A = 61 are predicted to be among the most abundant in accreted crusts, and the last remaining experimentally undetermined ground-state-to-ground-state transition strength was the β decay of 61 V. This Letter reports the first experimental determination of this transition strength, a ground-state branching of $8.1^{+4.0}_{- 3.1}%$, corresponding to a log ft value of $5.5^{+0.2}_{-0.2}$. This result was achieved through the measurement of the β -delayed γ rays using the total absorption spectrometer SuN and the measurement of the β -delayed neutron branch using the neutron long counter system NERO at the National Superconducting Cyclotron Laboratory at Michigan State University. This method helps to mitigate the impact of the pandemonium effect in extremely neutron-rich nuclei on experimental results. The result implies that A = 61 nuclei do not provide the strongest cooling in accreted neutron star crusts as expected by some predictions, but that their cooling is still larger compared to most other mass numbers. Finally, only nuclei with mass numbers 31, 33, and 55 are predicted to be cooling more strongly. However, the theoretical predictions for the transition strengths of these nuclei are not consistently accurate enough to draw conclusions on crust cooling. With the experimental approach developed in this work, all relevant transitions are within reach to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Abstract A novel ab initio methodology based on high‐throughput simulations has permitted designing unique biselective organic structure‐directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth materials with controlled phase compositions. Distinctive local crystallographic ordering of the CHA/AEI intergrowths was revealed at the nanoscale level using integrated differential phase contrast scanning transmission electron microscopy (iDPC STEM). These novel CHA/AEI materials have been tested for the selective catalytic reduction (SCR) of NOx, presenting an outstanding catalytic performance and hydrothermal stability, even surpassing the performance of the well‐established commercial CHA‐type catalyst. This methodology opens the possibility for synthetizing new zeolite intergrowths with more complex structures and unique catalytic properties.

Bello‐Jurado, Estefanía↗
DOE OSTI2022

Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Abstract A novel ab initio methodology based on high‐throughput simulations has permitted designing unique biselective organic structure‐directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth materials with controlled phase compositions. Distinctive local crystallographic ordering of the CHA/AEI intergrowths was revealed at the nanoscale level using integrated differential phase contrast scanning transmission electron microscopy (iDPC STEM). These novel CHA/AEI materials have been tested for the selective catalytic reduction (SCR) of NOx, presenting an outstanding catalytic performance and hydrothermal stability, even surpassing the performance of the well‐established commercial CHA‐type catalyst. This methodology opens the possibility for synthetizing new zeolite intergrowths with more complex structures and unique catalytic properties.

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

Synthesis and Reactivity of Heteroleptic U 4+ Alkyl, Benzyl, and Hydride Imidophosphorane Complexes

A series of heteroleptic U 4+ benzyl, neopentyl, and methyl complexes supported by the imidophosphorane ligand, [N = P(N,N′-ditert-butylethylenediamide)(diethylamide)] 1− (NP*), were synthesized from the monoiodide precursor, [UI(NP*) 3 ]. These heteroleptic complexes were synthesized through the selective formation of [UI(NP*) 3 ] under transmetalation conditions in the reaction between [UI 4 (1,4-dioxane) 2 ] and K[NP*]. Formation of the homoleptic complex [U(NP*) 4 ] was not observed even in the presence of excess K[NP*]. The oxidation and hydrogenolysis reactivity of the neopentyl complex, [U(Npt)- (NP*) 3 ] (Npt = neopentyl) was explored. While cyclic voltammetry indicates a potentially isolable U5+ alkyl cation, chemical oxidation of the neopentyl complex results in the isolation of a cationic U 4+ complex with a bound diethyl ether in the primary coordination sphere, [U4+(NP*)) 3 (Et 2 O)][(BArF 24 )] (BArF 24 = tetrakis(3,5-bis(trifluoromethyl)phenyl)borate). Notably, hydrogenolysis of [U(Npt)(NP*) 3 ] with H2 gas at −20 °C results in the formation of a terminal hydride intermediate confirmed by in situ NMR spectroscopy and deuterium labeling with D 2 . The connectivity and structural parameters of this hydride intermediate, [UH(NP*) 3 ], which rapidly thermally decomposes to the homoleptic complex, [U(NP*) 4 ], can be confirmed by single-crystal X-ray diffraction studies of a crystal grown by chilling the reaction mixture. The identity of [U(NP*) 4 ] was confirmed by its direct, bulk synthesis from [U(Me)(NP*) 3 ] and HNP* in a protonolysis reaction.

Alkyls↗
DOE OSTI2014

Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors

Endoplasmic reticulum (ER) stress activates the unfolded protein response and its dysfunction is linked to multiple diseases. The stress transducer IRE1α is a transmembrane kinase endoribonuclease (RNase) that cleaves mRNA substrates to re-establish ER homeostasis. Aromatic ring systems containing hydroxy–aldehyde moieties, termed hydroxy–aryl–aldehydes (HAA), selectively inhibit IRE1α RNase and thus represent a novel chemical series for therapeutic development. We solved crystal structures of murine IRE1α in complex with three HAA inhibitors. HAA inhibitors engage a shallow pocket at the RNase-active site through pi-stacking interactions with His910 and Phe889, an essential Schiff base with Lys907 and a hydrogen bond with Tyr892. Structure–activity studies and mutational analysis of contact residues define the optimal chemical space of inhibitors and validate the inhibitor-binding site. These studies lay the foundation for understanding both the biochemical and cellular functions of IRE1α using small molecule inhibitors and suggest new avenues for inhibitor design.

Sanches, Mario↗
DOE OSTI2018

Topological insulator-metal transition and molecular electronics device based on zigzag phagraphene nanoribbon

Here, we explore the electronic transport properties of a graphene allotrope composed of 5–6-7 carbon aromatic rings called phagraphene and compare with the results of the transition-voltage spectroscopy (TVS) and propose the behavior at low voltage characteristic of a topological insulator. Phagraphene properties were compared to those of graphene in a zigzag nanoribbon configuration, zigzag graphene vs zigzag phagraphene nanoribbon (zzGNR and zzPGNR). The molecular geometry and the electronic properties were calculated by density functional theory (DFT) without spin, and the electronic transport and TVS were obtained by means of DFT combined with non-equilibrium Green´s function when we couple the optimized geometry of zzGNR and zzPGNR to the leads (left and right), forming the molecular junction that will be subjected to the action of an external bias voltage (V e ) to generate the molecular device. The findings exhibit (i) a metal-insulator transition when V e is increased until V e = 1.4 V which corresponds to the nonlinear region (resonance), showing the field effect transistor behaviour for zzGNR junctions; and (ii) two nonlinear regions (two negative differential resistances), showing a resonant tunnel diode behaviour with two operation windows (V e = 0.5 V and V e = 1.7 V) for the zzPGNR junction. In addition, the zzPGNR junction exhibits topological insulator characteristics upon introducing topological defects such as pentagons and heptagons in the hexagonal lattice of graphene, and when V e = 1.7 V, there occurs a topological insulator-metal transition that can be seen in the behaviour of the density of states, transmittance, and frontier molecular orbitals with V e .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Molecular junction by tunneling in 1D and quasi-1D systems

We have investigated electron tunneling through two one-dimensional (1D) molecular junctions based on first-principles simulations using the density functional theory combined with the non-equilibrium Green's functions methodology. The first junction, composed of left and right carbyne wire electrodes with a sodium atom in between, is atomically thin. The second one is quasi-one-dimensional (quasi-1D) and consists of two single-wall carbon nanotube electrodes, closed on the tips and again a sodium atom in the scattering region. Although the bridging atom bonds weakly to the electrodes in both systems, it strongly affects the electronic transport properties, such as electron transmission, current–voltage relation, differential conductance, density of states and eigenchannels. This is demonstrated by comparing with the results obtained from the corresponding systems for both the 1D and the quasi-1D junctions in the absence of the central sodium atom. The revealed transport properties are sensitive to the molecular geometry. This helps future molecular electronic device design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Transgenic plants expressing GLK1 and CCA1 having increased nitrogen assimilation capacity

Provided herein are compositions and methods for producing transgenic plants. In specific embodiments, transgenic plants comprise a construct comprising a polynucleotide encoding CCA1, GLK1 or bZIP1, operably linked to a plant-specific promote, wherein the CCA1, GLK1 or bZIP1 is ectopically overexpressed in the transgenic plants, and wherein the promoter is optionally a constitutive or inducible promoter. In other embodiments, transgenic plants in which express a lower level of CCA1, GLK1 or bZIP1 are provided. Also provided herein are commercial products (e.g., pulp, paper, paper products, or lumber) derived from the transgenic plants (e.g., transgenic trees) produced using the methods provided herein.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Methods of affecting nitrogen assimilation in plants

Provided herein are compositions and methods for producing transgenic plants. In specific embodiments, transgenic plants comprise a construct comprising a polynucleotide encoding CCA1, GLK1 or bZIP1, operably linked to a plant-specific promote, wherein the CCA1, GLK1 or bZIP1 is ectopically overexpressed in the transgenic plants, and wherein the promoter is optionally a constitutive or inducible promoter. In other embodiments, transgenic plants in which express a lower level of CCA1, GLK1 or bZIP1 are provided. Also provided herein are commercial products (e.g., pulp, paper, paper products, or lumber) derived from the transgenic plants (e.g., transgenic trees) produced using the methods provided herein.

59 BASIC BIOLOGICAL SCIENCES↗