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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Charge Separation at Organic Interfaces with Near-Zero Energy Offset: A Step toward Designing Inorganic-like Organic Semiconductors

For organic semiconductors, it is often presumed that an energy level offset at the donor–acceptor (D-A) interface is required to provide the driving force for charge separation (CS). This energy level offset unavoidably leads to a voltage loss in organic photovoltaics. In this work, by using zinc phthalocyanine (ZnPc) and fluorinated zinc phthalocyanine (F 4 ZnPc) as a model D/A interface, we found that spontaneous CS, with an enthalpy increase of ∼0.3–0.4 eV, can occur even with an interfacial energy offset as small as ∼0.1 eV. This enthalpy-increase CS process is driven by entropy. The entropic driving force can be enhanced by two factors: (1) a point-like spatial contact between the delocalized electron and hole wave function in the charge transfer exciton; (2) a small band bending near the interface originating from long-range electrostatic interaction. Our work demonstrates that effective CS can occur at interfaces with a near-zero energy level offset, which means that the energy loss at the D/A interface can be avoided.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Self-Aligned Selective Area Front Contacts on Poly -Si/SiO x Passivating Contact c -Si Solar Cells

We report both polarity poly-Si/SiO x passivating contacts in a front/back device configuration may represent the next solar cell architecture after tunnel oxide passivating contacts (TOPCon) cells, but high parasitic absorption in the front poly -Si layer often limits its performance. This work explores a wet etching technique to remove the front poly -Si in the nonmetallized regions using self-aligned metal grids as an etch mask. We systematically examine various dielectric layers (SiN x ,Al 2 O 3 , and stacks thereof) to study the repassivation of the etched n + surface, and find that an SiN x /Al 2 O 3 passivation stack can effectively repassivate the etched surface, which we attribute to field-effect passivation from the positive fixed charge from the SiN x layer, and excellent chemical passivation property from Al 2 O 3 in the form of atomic H. We demonstrate a front/back poly-Si/SiO x passivating contact device, with an open-circuit voltage (V oc ) of 690 mV, short-circuit current density (J sc ) of 39.8 mA/cm 2 , fill factor of 78%, and power conversion efficiency of 21.4%. Furthermore, simulations using SunSolve and Quokka 3 show good agreement with both the optical and electrical properties of the experimental device. The power loss analysis reveals improvements in the optical loss from the back Ti adhesion and front SiN x layers would lead to a 23.5% device. Lastly, a techno-economic model compares the production cost of this improved cell with the current TOPCon cells. Our results highlight that further cost reductions in single-sided doped poly -Si layers are needed to compete with mainstream passivated emitter and rear cell, and TOPCon technologies.

14 SOLAR ENERGY↗
DOE OSTI2024

Overcoming the fundamental limit of quantum transduction via intraband entanglement

A quantum transducer converts an input signal to an output probe at a distant frequency band while maintaining the quantum information with high fidelity, which is crucial for quantum networking and distributed quantum sensing and computing. In terms of microwave–optical quantum transduction, the state-of-the-art quantum transducers suffer low transduction efficiency from weak nonlinear coupling, wherein increasing pump power to enhance efficiency inevitably leads to thermal noise from heating. Moreover, we reveal that the efficiency-bandwidth product of a cavity electro-optical or electro-optomechanical transducer is fundamentally limited by pump power and nonlinear coupling coefficient, irrespective of cavity engineering efforts. To overcome this fundamental limit, we propose to noiselessly boost the transduction efficiency by consuming intraband entanglement (e.g., microwave–microwave or optical–optical entanglement in the case of microwave–optical transduction). Via a squeezer–coupler–antisqueezer sandwich structure, the protocol enhances the transduction efficiency to unity in the ideal lossless case, given an arbitrarily weak pump and nonlinear coupling. In practical cavity systems, our entanglement-assisted protocol surpasses the non-assisted fundamental limit of the efficiency-bandwidth product and reduces the threshold cooperativity for positive quantum capacity by a factor proportional to two-mode squeezing gain. Given a fixed cooperativity, our approach increases the broadband quantum capacity by orders of magnitude. The entanglement-assisted advantage is robust to ancilla loss and cavity detuning.

Shi, Haowei [Southern California U.] (ORCID:000000↗
DOE OSTI2026

Observation of Suppressed Charged-Particle Production in Ultrarelativistic Oxygen-Oxygen Collisions

A hot and dense state of nuclear matter, known as the quark-gluon plasma, is created in collisions of ultrarelativistic heavy nuclei. Highly energetic quarks and gluons, collectively referred to as partons, lose energy as they travel through this matter, leading to suppressed production of particles with large transverse momenta (𝑝 T ). Conversely, high-𝑝 T particle suppression has not been seen in proton-lead collisions, raising questions regarding the minimum system size required to observe parton energy loss. Oxygen-oxygen (OO) collisions examine a region of effective system size that lies between these two extreme cases. The CMS detector at the CERN LHC has been used to quantify charged-particle production in inclusive OO collisions for the first time via measurements of the nuclear modification factor (𝑅 AA ). The 𝑅 AA is derived by comparing particle production to expectations based on proton-proton (𝑝⁢𝑝) data and has a value of unity in the absence of nuclear effects. The data for OO and 𝑝⁢𝑝 collisions at a nucleon-nucleon center-of-mass energy $\sqrt{s_{NN}}$ = 5.36 TeV correspond to integrated luminosities of 6.1 nb −1 and 1.02 pb −1 , respectively. The 𝑅 AA is below unity with a minimum of 0.69 ± 0.04 around 𝑝 T = 6 GeV. The data exhibit better agreement with theoretical models incorporating parton energy loss as compared to baseline models without energy loss.

FOS: Physical sciences↗
DOE OSTI2025

Sub-10 nm upconversion nanocrystals for long-term single-particle tracking

Lanthanide-doped upconversion nanoparticles are attractive single-molecule imaging probes due to their high photostability and anti-Stokes luminescence. However, achieving both small particle size and strong brightness has remained a major challenge, as reducing size often leads to dimmer emission. Herein, we fabricate a sub-10 nm cascade actively protected upconversion nanoparticles, which shows a 33-fold enhanced upconversion efficiency at the single-particle level compared to larger ~19 nm conventional nanoparticles. Theoretical modeling and time-resolved measurements show that emission loss mainly comes from energy leakage of Er 3+ ions to surface defects. By introducing a NaYbF 4 layer as photon-harvesting and protective intermediate layer, we minimize this energy loss and significantly boost brightness. A monolayer of inert NaLuF 4 can effectively suppress the surface quenching to Yb 3+ . Using these ultra-small bright probes, we successfully tracked single epidermal growth factor receptor molecules on live cells for up to one hour, revealing dynamic switching between different diffusion modes.

Qiu, Xiaochen [Fudan Univ., Shanghai (China); Shen↗
DOE OSTI2022

Provider Perspectives: Identification and Follow-up of Infants who Are Deaf or Hard of Hearing

Objective Without timely screening, diagnosis, and intervention, hearing loss can cause significant delays in a child's speech, language, social, and emotional development. In 2019, Texas had nearly twice the average rate of loss to follow-up (LFU) or loss to documentation (LTD; i.e., missing documentation of services received) among infants who did not pass their newborn hearing screening compared to the United States overall (51.1 vs. 27.5%). We aimed to identify factors contributing to LFU/LTD among infants who do not pass their newborn hearing screening in Texas. Study Design Data were collected through semistructured qualitative interviews with 56 providers along the hearing care continuum, including hospital newborn hearing screening program staff, audiologists, primary care physicians, and early intervention (EI) program staff located in three rural and urban public health regions in Texas. Following recording and transcription of the interviews, we used qualitative data analysis software to analyze themes using a conventional content analysis approach. Results Frequently cited barriers included problems with family access to care, difficulty contacting patients, problems with communication between providers and referrals, lack of knowledge among providers and parents, and problems using the online reporting system. Providers in rural areas more often mentioned problems with family access to care and contacting families compared to providers in urban areas. Conclusion These findings provide insight into strategies that public health professionals and health care providers can use to work together to help further increase the number of children identified early who may benefit from EI services. Key Points

Obstetrics & Gynecology↗
DOE OSTI2023

Stochastic transition in synchronized spiking nanooscillators

This work reports that synchronization of Mott material-based nanoscale coupled spiking oscillators can be drastically different from that in conventional harmonic oscillators. We investigated the synchronization of spiking nanooscillators mediated by thermal interactions due to the close physical proximity of the devices. Controlling the driving voltage enables in-phase 1:1 and 2:1 integer synchronization modes between neighboring oscillators. Transition between these two integer modes occurs through an unusual stochastic synchronization regime instead of the loss of spiking coherence. In the stochastic synchronization regime, random length spiking sequences belonging to the 1:1 and 2:1 integer modes are intermixed. The occurrence of this stochasticity is an important factor that must be taken into account in the design of large-scale spiking networks for hardware-level implementation of novel computational paradigms such as neuromorphic and stochastic computing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Demonstrating the GaInP/GaAs Three-Terminal Heterojunction Bipolar Transistor Solar Cell

The three-terminal heterojunction bipolar transistor solar cell (HBTSC) concept enables the realization of a monolithic double-junction device with individual current extraction. We present an HBTSC realized by a heterojunction of GaInP and GaAs. The one-sun open-circuit voltage (V OC ) of the top and bottom junctions are 1.33 V and 0.99 V, respectively, while fill factors (FF) are above 80%. At one-sun illumination, reducing one junction's bias from V OC to maximum power point degrades the performance of the other junction only slightly (<; 0.5% efficiency loss). These results demonstrate the potential of the HBTSC concept to produce high-efficiency independently connected double-junction solar cells.

14 SOLAR ENERGY↗
DOE OSTI2023

Flow rate optimization for a small liquid argon system at Fermilab.

This analysis highlights the dominant role of pressure loss in filter disks, emphasizing its crucial consideration during the design phase to ensure optimal fluid flow. Additionally, the significance of vapor quality at the transfer line inlet is identified as a key factor impacting the fill rate. Reducing inlet vapor quality and exploring the use of subcooled liquid are recommended approaches to enhance system performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Review—Development of Highly Active and Durable Hybrid Compressive Platinum Lattice Catalysts for Polymer Electrolyte Membrane Fuel Cells: Mathematical Modeling and Experimental Work

This review provides a comprehensive overview on the development of highly active and durable platinum catalysts with ultra-low Pt loadings for polymer electrolyte membrane fuel cells (PEMFCs) through a combined mathematical modeling and experimental work. First, simulation techniques were applied to evaluate the validity of the Tafel approximation for the calculation of the mass activity (MA) and specific activity (SA). A one-dimensional agglomeration model was developed and solved to understand the effects of exchange current density, porosity, agglomerate size, Nafion ® film thickness, and Pt loading on the MA and SA. High porosity (> 60%) and agglomerations at high Pt loadings cause the loss of the Tafel approximation and consequently the decrease in MA and SA. A new structure parameter was introduced to estimate the real porous structure using the fractal theory. The volumetric catalyst density was corrected by the fractal dimension (measured by Hg porosimetry), which gave a good agreement with the experimental values. The loading-dependent Tafel equation was then derived, which contains both the utilization and the non-linear scaling factor. Second, activated carbon composite support (ACCS) with optimized surface area, porosity, pore size, and pore size distribution was developed. The hydrophilic/hydrophobic ratio, structural properties (amorphous/crystalline ratio), and the number of active sites were optimized through metal-catalyzed pyrolysis. Stability of ACCS and Pt/ACCS were evaluated using an accelerated stress test (AST). The results indicated that Pt/ACCS showed no significant loss of MA and power density after 5,000 cycles at 1.0–1.5 V, while the commercial Pt/C catalysts showed drastic losses of MA and power density. Finally, monolayers of compressed Pt (core–shell-type Pt 3 Co 1 ) catalysts were structured by diffusing Co atoms (previously embedded in ACCS) into Pt. Compressive Pt lattice (Pt * ) catalysts were synthesized through an annealing procedure developed at the University of South Carolina (USC). The Pt * /ACCS catalyst showed high initial power density (rated) of 0.174 g Pt kW −1 and high stability (24 mV loss) at 0.8 A cm −2 after 30,000 cycles (0.6–1.0 V). The outstanding performance of Pt * /ACCS is due to the synergistic effect of ACCS and compressive Pt * lattice.

25 ENERGY STORAGE↗
DOE OSTI2022

Suppression of toroidal Alfvén eigenmodes by the electron cyclotron current drive in KSTAR plasmas

Advanced operation scenarios such as high poloidal beta ( β P ) or high q min are promising concepts to achieve the steady-state high-performance fusion plasmas. However, those scenarios are prone to substantial Alfvénic activity, causing fast-ion transport and losses. Recent experiments with the advanced operation scenario on KSTAR tokamak have shown that the electron cyclotron current drive (ECCD) is able to mitigate and suppress the beam-ion driven toroidal Alfvén eigenmodes (TAEs) for over several tens of global energy confinement time. Co-current directional intermediate off-axis ECCD lowers the central safety factor slightly and tilts the central q -profile shape so that the continuum damping in the core region increases. Besides, the rise of central plasma pressure and increased thermal-ion Landau damping contribute to TAE stabilization. While the TAEs are suppressed, neutron emission rate and total stored energy increase by approximately 45% and 25%, respectively. Fast-ion transport estimated by TRANSP calculations approaches the classical level during the TAE suppression period. Substantial reduction in fast-ion loss and neutron deficit is also observed. Subsequently, enhancement of fast-ion confinement by suppressing the TAEs leads to an increase of non-inductive current fraction and will benefit the sustainment of the long-pulse high-performance discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Decreased land use intensity improves surface soil quality on marginal lands

The Conservation Reserve Program (CRP) has been a major factor in land transitions out of intensive row-crop management on marginally productive lands in the central United States. While CRP can protect these more environmentally sensitive lands against erosion and potential nutrient loss, information on how CRP affects soil quality over time is limited. Using a chronosequence with 0–40 yr of CRP conversion history, we evaluated soil quality under different land use intensities (CRP, pasture, row crop) using the Soil Management Assessment Framework (SMAF). Effects of slope classes (higher [14–25%] and lower [2–14%]) and soil depth (0–120 cm) were also evaluated. Our results show that the soils were functioning at 84 and 78% of their theoretical capacity under CRP and row crop, respectively. Conversion to CRP enhanced overall soil quality by increasing soil biological, physical, and chemical attributes, but soil nutrient availability decreased due to the absence of fertilizer application. Increasing soil organic C (SOC) enhanced overall soil quality because of its impact on soil biological, physical, chemical, and nutrient conditions. Conversion to CRP will likely have greater benefits for more environmentally sensitive soils (i.e., higher slope) as demonstrated by structural equation modeling. Land use effects were also depth dependent, with more prominent effects within the 0-to-5-cm than the 5-to-15-cm depth increment. Overall, our methods focused on key soil quality indicators, confirmed ecological benefits of CRP conversion, and provided guidance for improved and simplified land management recommendations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Single-layered organic photovoltaics with double cascading charge transport pathways: 18% efficiencies

The chemical structure of donors and acceptors limit the power conversion efficiencies achievable with active layers of binary donor-acceptor mixtures. Here, using quaternary blends, double cascading energy level alignment in bulk heterojunction organic photovoltaic active layers are realized, enabling efficient carrier splitting and transport. Numerous avenues to optimize light absorption, carrier transport, and charge-transfer state energy levels are opened by the chemical constitution of the components. Record-breaking PCEs of 18.07% are achieved where, by electronic structure and morphology optimization, simultaneous improvements of the open-circuit voltage, short-circuit current and fill factor occur. The donor and acceptor chemical structures afford control over electronic structure and charge-transfer state energy levels, enabling manipulation of hole-transfer rates, carrier transport, and non-radiative recombination losses.

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

Longitudinal spatial hole burning in high-power semiconductor lasers: numerical analysis

Longitudinal spatial hole burning (LSHB) in high-power semiconductor lasers is analysed by numerically solving one-dimensional (1D) rate equations. Calculations are performed for GaAs-based lasers operating at a wavelength of 1.06 μm. It is shown that the LSHB-induced decrease in output power can be accounted for by two mechanisms: build-up of spontaneous recombination and decrease in slope efficiency, equivalent to a rise in internal optical loss. We analyse the influence of different laser chip parameters on the magnitude of the LSHB effect. In particular, it is shown that to suppress LSHB it is preferable to increase the optical confinement factor Γ. We examine the relationship between LSHB and other mechanisms capable of reducing the output power. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Learning electric vehicle driver range anxiety with an initial state of charge-oriented gradient boosting approach

This manuscript focuses on the modeling of electric vehicle (EV) driver’s range anxiety, a fear that a vehicle does not have sufficient range, or state of charge (SOC) of the battery pack, to reach its destination and would strand its occupants. Despite numerous research studies on the modeling of charging behaviors, modeling efforts to understand at what battery percentages do EV drivers charge their vehicles, and what are the associated contributing factors, are rather limited. To this end, an ensemble learning model based on gradient boosting is developed. The model sequentially fits new predictors to new residuals of the previous prediction and, then, minimizes the loss when adding the latest prediction. A total of 18 features are defined and extracted from the multisource data, which cover information on driver, vehicles, stations, traffic conditions, as well as spatial-temporal context information of the charging events. The analyzed dataset includes 4.5-year’s charging event log data from 3,096 users and 468 public charging stations in Kansas City Missouri, and the macroscopic travel demand model maintained by the metropolitan planning organization. Here, the result shows the proposed model achieved a satisfactory result with a R square value of 0.54 and root mean square error of 0.14, both better than multiple linear regression model and random forest model. To reduce range anxiety, it is suggested that the priorities of deploying new charging facilities should be given to the areas with higher daily traffic prediction, with more conservative EV users or that are further from residential areas.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Niobium coaxial cavities with internal quality factors exceeding 1.4 × 10 9 for circuit quantum electrodynamics

Group-V materials such as niobium and tantalum have become popular choices for extending the performance of circuit quantum electrodynamics (cQED) platforms, allowing for quantum processors and memories with reduced error rates and more modes. The complex surface chemistry of niobium, however, makes identifying the main modes of decoherence difficult at millikelvin temperatures and single-photon powers. We use niobium coaxial quarter-wave cavities to study the impact of etch chemistry, prolonged atmospheric exposure, and the significance of cavity conditions prior to and during cooldown—in particular, niobium hydride evolution—on single-photon coherence. We demonstrate cavities with quality factors Q int ≳ 1.4 × 10 9 in the single-photon regime, a 15-fold improvement over aluminum cavities of the same geometry. We rigorously quantify the sensitivity of our fabrication process to various loss mechanisms and demonstrate a two- to fourfold reduction in the two-level system loss tangent and a three- to fivefold improvement in the residual resistance over traditional buffered chemical polishing etching techniques. Finally, we demonstrate transmon integration and coherent cavity control while maintaining a cavity coherence of 11.3 ms. The accessibility of our method, which can be easily replicated in academic laboratory settings, together with the demonstration of its performance, mark an advancement in three-dimensional cQED.

Oriani, Andrew E. [Chicago U., EFI; Chicago U.] (O↗
DOE OSTI2024

Projective Integral Updates for High-Dimensional Variational Inference

Variational inference is an approximation framework for Bayesian inference that seeks to improve quantified uncertainty in predictions by optimizing a simplified distribution over parameters to stand in for the full posterior. Capturing model variations that remain consistent with training data enables more robust predictions by reducing parameter sensitivity. This work introduces a fixed-point optimization for variational inference that is applicable when every feasible log density can be expressed as a linear combination of functions from a given basis. In such cases, the optimizer becomes a fixed-point of projective integral updates. When the basis spans univariate quadratics in each parameter, the feasible distributions are Gaussian mean-fields and the projective integral updates yield quasi-Newton variational Bayes (QNVB). Other bases and updates are also possible. Since these updates require high-dimensional integration, this work begins by proposing an efficient quasirandom sequence of quadratures for mean-field distributions. Each iterate of the sequence contains two evaluation points that combine to correctly integrate all univariate quadratic functions and, if the mean-field factors are symmetric, all univariate cubics. More importantly, averaging results over short subsequences achieves periodic exactness on a much larger space of multivariate polynomials of quadratic total degree. The corresponding variational updates require four loss evaluations with standard (not second-order) backpropagation to eliminate error terms from over half of all multivariate quadratic basis functions. Furthermore, this integration technique is motivated by first proposing stochastic blocked mean-field quadratures, which may be useful in other contexts. A PyTorch implementation of QNVB allows for better control over model uncertainty during training than competing methods. Experiments demonstrate superior generalizability for multiple learning problems and architectures.

Gaussian mean-field↗
DOE OSTI2023

Impaired cardiac glycolysis and glycogen depletion are linked to poor myocardial outcomes in juvenile male swine with metabolic syndrome and ischemia

Abstract Obesity continues to rise in the juveniles and obese children are more likely to develop metabolic syndrome (MetS) and related cardiovascular disease. Unfortunately, effective prevention and long‐term treatment options remain limited. We determined the juvenile cardiac response to MetS in a swine model. Juvenile male swine were fed either an obesogenic diet, to induce MetS, or a lean diet, as a control (LD). Myocardial ischemia was induced with surgically placed ameroid constrictor on the left circumflex artery. Physiological data were recorded and at 22 weeks of age the animals underwent a terminal harvest procedure and myocardial tissue was extracted for total metabolic and proteomic LC/MS–MS, RNA‐seq analysis, and data underwent nonnegative matrix factorization for metabolic signatures. Significantly altered in MetS versus. LD were the glycolysis‐related metabolites and enzymes. In MetS compared with LD Glycogen synthase 1 (GYS1)‐glycogen phosphorylases (PYGM/PYGL) expression disbalance resulted in a loss of myocardial glycogen. Our findings are consistent with the concept that transcriptionally driven myocardial changes in glycogen and glucose metabolism‐related enzymes lead to a deficiency of their metabolite products in MetS. This abnormal energy metabolism provides insight into the pathogenesis of the juvenile heart in MetS. This study reveals that MetS and ischemia diminishes ATP availability in the myocardium via altering the glucose‐G6P‐pyruvate axis at the level of metabolites and gene expression of related enzymes. The observed severe glycogen depletion in MetS coincides with disbalance in expression of GYS1 and both PYGM and PYGL. This altered energy substrate metabolism is a potential target of pharmacological agents for improving juvenile myocardial function in MetS and ischemia.

Broadwin, Mark↗