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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

N-dopants optimize the utilization of spontaneously formed photocharges in organic solar cells

Non-fullerene acceptors (NFAs) not only bring rapid efficiency progress to organic solar cells (OSCs) but have also generated scientific interest in re-evaluating the photocharge generation route via spontaneous or heterojunction-assisted charge separation. In this work, we propose the addition of n-dopants as a strategy to optimize the utilization of spontaneously formed photocharges in NFAs and construct ultralow donor-content dilute bulk heterojunction (BHJ) devices to validate the dopant's roles. N-dopants enhance the transport length of spontaneously formed photocharges over twofold and alleviate the bimolecular recombination with balanced carrier mobility during charge extraction. This improves the photocurrent of ultralow donor-content dilute BHJ devices by over 2.4 times. Moreover, these benefits are successfully conducted to the BHJ devices, and enhancement of conversion efficiencies is observed in both the 100 nm and 400 nm thick OSCs. Our results provide a feasible way to optimize the intrinsic photocharges in NFAs and renew the possibility of efficient single-component OSCs as inorganic photovoltaic techniques.

14 SOLAR ENERGY↗
DOE OSTI2026

Towards utility-scale electronic structure with sample-based quantum bootstrap embedding

One of the main applications for which quantum computers are hoped to find utility is in simulating ground state energies and other observables of molecular chemical systems. The recently proposed sample-based diagonalization method is a readily implementable method for this task on current-day hardware using short circuit depths and has been demonstrated on as many as 85 qubits in recent studies. In this work, we combine the recently proposed quantum bootstrap embedding (QBE) method with sampled-based diagonalization (QBE-SQD) and present the first benchmarking study of the QBE method on real quantum hardware, ibm_pittsburgh, a Heron r3 processor with 156 qubits. Our test system is a hydrogen ring with 8 hydrogen atoms in the cc-pVDZ basis. We show that for this system, QBE-SQD using an active space of (8e, 19o) per fragment with a 43 qubit footprint produces a ground state energy accuracy which exceeds that of an SQD calculation with an (8e, 30o) active space with a 67 qubit footprint when using a comparable number of Slater determinants. This demonstrates that the use of quantum bootstrap embedding techniques is a promising path towards extending the capabilities of state-of-the-art quantum eigensolvers on near-term devices.

Bierman, Joel [North Carolina State University, Ra↗
DOE OSTI2026

Energy utilization strategies in lignocellulosic biorefineries

Lignocellulosic biorefineries can generate various energy-rich side streams, including biogas from anaerobic digestion, a lignin stream from biomass pretreatment, and conversion residues. This study evaluates different chemical energy utilization strategies in lignocellulosic biorefineries based on energy and carbon efficiencies, cost, and greenhouse gas mitigation potential. Specifically, using modeling and optimization, we examine strategies that include electricity generation, biogas upgrade to biomethane, lignin valorization, and carbon capture and storage. We find that upgrading biogas to biomethane demonstrates the highest energy efficiency and leads to the lowest minimum fuel selling price for the main product, ethanol. The biorefinery with carbon capture and storage achieves the lowest net carbon footprint. Lignin valorization has the highest carbon footprint due to the additional materials required for lignin depolymerization, despite its potential to produce high value bioproducts.

Aboagye, Emmanuel A. [Princeton Univ., NJ (United ↗
DOE OSTI2016

Engineering a trifunctional proline utilization A chimaera by fusing a DNA-binding domain to a bifunctional PutA

Proline utilization A (PutA) is a bifunctional flavoenzyme with proline dehydrogenase (PRODH) and Δ1-pyrroline-5-carboxylate (P5C) dehydrogenase (P5CDH) domains that catalyses the two-step oxidation of proline to glutamate. Trifunctional PutAs also have an N-terminal ribbon–helix–helix (RHH) DNA-binding domain and moonlight as autogenous transcriptional repressors of the put regulon. A unique property of trifunctional PutA is the ability to switch functions from DNA-bound repressor to membrane-associated enzyme in response to cellular nutritional needs and proline availability. In the present study, we attempt to construct a trifunctional PutA by fusing the RHH domain of Escherichia coli PutA (EcRHH) to the bifunctional Rhodobacter capsulatus PutA (RcPutA) in order to explore the modular design of functional switching in trifunctional PutAs. The EcRHH–RcPutA chimaera retains the catalytic properties of RcPutA while acquiring the oligomeric state, quaternary structure and DNA-binding properties of EcPutA. Furthermore, the EcRHH–RcPutA chimaera exhibits proline-induced lipid association, which is a fundamental characteristic of functional switching. Unexpectedly, RcPutA lipid binding is also activated by proline, which shows for the first time that bifunctional PutAs exhibit a limited form of functional switching. Altogether, these results suggest that the C-terminal domain (CTD), which is conserved by trifunctional PutAs and certain bifunctional PutAs, is essential for functional switching in trifunctional PutAs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Utilizing grid–supportive load response to shape resilient frequency control of the power grid

The increasing penetration of renewable energy sources and the retirement of conventional generation units have decreased system inertia, making power systems more vulnerable to resilience and stability issues. To address this problem, this paper proposes a novel approach using grid-supportive loads (GSLs) to provide a fast and concise primary frequency response and a deep deterministic policy gradient agent-based secondary controller to restore the system frequency to the nominal value. The proposed method is evaluated on the single-area and multi-area test systems. The simulation results demonstrate that using GSLs enhances the power system's stability and resilience. Compared to conventional controllers, the frequency nadir is improved with GSLs. Additionally, the proposed method effectively enhances resilience even with high penetration. These findings indicate that the proposed approach can improve the resilience and stability of power systems and provide a promising solution for future power systems. The results of this study underscore the importance of utilizing innovative approaches to enhance the stability and resilience of power systems in the context of high penetration of renewable energy sources and the retirement of conventional generation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

Application technologies for effective utilization of advanced high strength steel sheets

Recently, application of high strength steel sheets for automobiles has increased in order to meet a demand of light weighting of automobiles to reduce a carbon footprint while satisfying collision safety. The formability of steel sheets generally decreases with the increase in strength. Fracture and wrinkles tend to occur easily during forming. The springback phenomenon is also one of the issues which we should cope with, because it makes it difficult to obtain the desired shape after forming. Advanced high strength steel sheets with high formability have been developed in order to overcome these issues, and at the same time application technologies have been developed for their effective utilization. These sheets are normally used for cold forming. As a different type of forming, hot forming technique has been developed in order to produce parts with ultra high strength. In this report, technologies developed at NSSMC in this field will be introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Detection of spin-resolved electronic structures from a buried ferromagnetic layer utilizing forward Mott scattering

We report ultrahigh-resolution spin-resolved hard X-ray photoemission (HAXPES) for a buried FeNi alloy film. By utilizing the forward Mott scattering in a Au layer on FeNi, our spin-resolved HAXPES method does not require a standard spin detector and allows us to use the multi-channel electron detection system for the high-efficient electron detection as used in conventional photoemission spectroscopy. A combination of the forward Mott scattering and multi-channel detection leads us to measure a clear spin polarization as well as spin-resolved majority and minority states in the Fe 2p core-level spectra without using the standard spin detector. This method enables us to measure spin-resolved core-level spectra for buried ferromagnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Simultaneous determination of the elastic modulus and density/thickness of ultrathin films utilizing micro-/nanoresonators under applied axial force

Thin films are widely used in microelectronics, optics, filters, and various sensing devices. We propose a method to simultaneously determine the elastic modulus and density or thickness of ultrathin films deposited on various substrate materials. This methodology utilizes measurement of the resonant frequencies of the micro-/nanoresonator under intentionally applied axial tension and, consequently, the beam to string transition. Elastic modulus and density/thickness of thin film are obtained from the ratio between the resonant frequencies of the nanoresonator with and without applied axial force.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Preliminary study on weapon grade uranium utilization in molten salt reactor miniFUJI

Preliminary study on weapon grade uranium utilization in 25MWth and 50MWth of miniFUJI MSR (molten salt reactor) has been carried out. In this study, a very high enriched uranium that we called weapon grade uranium has been employed in UF{sub 4} composition. The {sup 235}U enrichment is 90 - 95 %. The results show that the 25MWth miniFUJI MSR can get its criticality condition for 1.56 %, 1.76%, and 1.96% of UF{sub 4} with {sup 235}U enrichment of at least 93%, 90%, and 90%, respectively. In contrast, the 50 MWth miniFUJI reactor can be critical for 1.96% of UF{sub 4} with {sup 235}U enrichment of at smallest amount 95%. The neutron spectra are almost similar for each power output.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Co thickness dependence of structural and magnetic properties in spin quantum cross devices utilizing stray magnetic fields

We investigate the Co thickness dependence of the structural and magnetic properties of Co thin-film electrodes sandwiched between borate glasses in spin quantum cross (SQC) devices that utilize stray magnetic fields. We also calculate the Co thickness dependence of the stray field between the two edges of Co thin-film electrodes in SQC devices using micromagnetic simulation. The surface roughness of Co thin films with a thickness of less than 20 nm on borate glasses is shown to be as small as 0.18 nm, at the same scanning scale as the Co film thickness, and the squareness of the hysteresis loop is shown to be as large as 0.96–1.0. As a result of the establishment of polishing techniques for Co thin-film electrodes sandwiched between borate glasses, we successfully demonstrate the formation of smooth Co edges and the generation of stray magnetic fields from Co edges. Theoretical calculation reveals that a strong stray field beyond 6 kOe is generated when the Co thickness is greater than 10 nm at a junction gap distance of 5 nm. From these experimental and calculation results, it can be concluded that SQC devices with a Co thickness of 10–20 nm can be expected to function as spin-filter devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Lorentz factor determination for local electric fields in semiconductor devices utilizing hyper-thin dielectrics

The local electric field (the field that distorts, polarizes, and weakens polar molecular bonds in dielectrics) has been investigated for hyper-thin dielectrics. Hyper-thin dielectrics are currently required for advanced semiconductor devices. In the work presented, it is shown that the common practice of using a Lorentz factor of L = 1/3, to describe the local electric field in a dielectric layer, remains valid for hyper-thin dielectrics. However, at the very edge of device structures, a rise in the macroscopic/Maxwell electric field E{sub diel} occurs and this causes a sharp rise in the effective Lorentz factor L{sub eff}. At capacitor and transistor edges, L{sub eff} is found to increase to a value 2/3 < L{sub eff} < 1. The increase in L{sub eff} results in a local electric field, at device edge, that is 50%–100% greater than in the bulk of the dielectric. This increase in local electric field serves to weaken polar bonds thus making them more susceptible to breakage by standard Boltzmann and/or current-driven processes. This has important time-dependent dielectric breakdown (TDDB) implications for all electronic devices utilizing polar materials, including GaN devices that suffer from device-edge TDDB.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Energy utilization in fluctuating biological energy converters

We have argued previously that energy utilization and evolution are emergent properties based on a small number of established laws of physics and chemistry. The relevant laws constitute a framework for biology on a level intermediate between quantum chemistry and cell biology. There are legitimate questions whether these concepts are valid at the mesoscopic level. Such systems fluctuate appreciably, so it is not clear what their efficiency is. Advances in fluctuation theorems allow the description of such systems on a molecular level. We attempt to clarify this topic and bridge the biochemical and physical descriptions of mesoscopic systems.

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

Tunable hard X-ray spectrometer utilizing asymmetric planes of a quartz transmission crystal

A Cauchois type hard x-ray spectrometer was developed that utilizes the (301) diffraction planes at an asymmetric angle of 23.51° to the normal to the surface of a cylindrically curved quartz transmission crystal. The energy coverage is tunable by rotating the crystal and the detector arm, and spectra were recorded in the 8 keV to 20 keV range with greater than 2000 resolving power. The high resolution results from low aberrations enabled by the nearly perpendicular angle of the diffracted rays with the back surface of the crystal. By using other asymmetric planes of the same crystal and rotating to selected angles, the spectrometer can operate with high resolution up to 50 keV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗