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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Co-Design of Charge Transport Superhighways to Connect Catalytic Sites in Soft Photoelectrochemical Systems

Efficient photon-to-electron-to-molecule conversion requires multi-length scale control over charge transport pathways, where electronic charges are delivered to catalytic sites under high mass transport flux. A fundamental question is how can we co-design charge transport pathways to promote efficient charge transfer to/from catalytic sites in complex three-dimensional architectures? Soft conducting polymer systems offer exceptional promise to provide three-dimensional charge transport networks, where electrolyte (ion and solvent) can interdiffuse to promote long-lived charge carriers and the molecular nature allows for strategic synthetic design of catalytic sites. Herein we combine theoretical and experimental approaches to investigate the earliest stages of photoelectrochemical deposition of near-surface catalytic sites (Pt) on soft bulk heterojunction polymeric semiconductors composed of a prototype donor (PTB7-Th) and a prototype acceptor (N2200) as a model system towards better understanding molecular catalyst-polymer site interactions. We focus initially on photoelectrochemical deposition of low Pt loadings, nanoparticle sizes (formed by progressive nucleation) below 20 nm, for both density functional theory (DFT) modeling studies and for spectroscopic characterization using surface-sensitive X-ray and UV-photoemission (XPS/UPS). DFT modeling of “n-type” N2200 slabs reveal for the first time that sulfur atoms in the thiophene units serve as the lowest-energy adsorption sites for single Pt atoms, while larger Pt clusters engage more complexly with both thiophene and naphthalene diimide (NDI) core sites. Changes in chemical composition observed by X-ray photoelectron spectroscopy (XPS) support the DFT predictions, and the angle-resolved measurements reveal that Pt nucleation initiates at subsurface sites which appear to be localized active domains that promote charge transport/transfer and enable vertical growth toward the surface. These results suggest that light-activated Pt nanoparticle deposition decorates energetically distinct sites, where photoactivity is dictated by the local energetics of those sites, and the fact that they represent the termini of charge transport “super-highways” – a small percentage of the total volume of the donor/acceptor polymeric active layer which carries most of the photocurrent generated during both Pt deposition and photoelectrochemical HER. We posit that these initial studies provide a foundational strategy for design of catalytic sites in the near surface regions of complex polymeric materials and advancing soft semiconductor-based photoelectrochemical systems. Achieving a nanometer-scale understanding of catalyst deposition and the impact of local composition and energetics on that placement, should ultimately provide the design guidelines (co-design) for a broad array of catalysts at sites that optimize that efficiency and maximize platform durability.

14 SOLAR ENERGY↗
DOE OSTI2024

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

Microalgae-based tertiary wastewater treatment has the potential to meet stringent effluent phosphorus limits, with the added benefit of producing a marketable feedstock. However, the lack of validated mechanistic models and their implementation in process simulators have limited the adoption of this technology. In this study, an updated lumped pathway metabolic model (Phototrophic-Mixotrophic Process Model, PM 2 ), including both photoautotrophic and heterotrophic metabolisms of microalgae, was developed to predict effluent phosphorus concentration and biomass yield in response to dynamic influent and varying environmental conditions. The model was implemented in QSDsan – an open-source, Python-based design and simulation platform – for robust simulation under uncertainty. A global sensitivity analysis was performed to prioritize model parameters for calibration. The model was then calibrated and validated using batch experimental data and 45 days of continuous online monitoring data from a full-scale (568 m 3 ·d -1 ) microalgae-based tertiary wastewater treatment plant (EcoRecover process). In particular, along with dynamic influent composition, temperature and light intensity data with diel variation were provided as model inputs to reflect the microalgal behavior under day-night cycling. Overall, the QSDsan-based microalgae process simulator was able to predict effluent phosphorus within 0.02–0.04 mg-P·L -1 , while also capturing the general trends of state variables according to nutrient availability.

Lumped pathway metabolic model↗
DOE OSTI2024

Measuring differential particle correlations in relativistic nuclear collisions

This study explores the transverse momentum ( p T ) dependencies of symmetric and asymmetric correlations (SC and ASC) with one and two particles of interest in Au + Au collisions at 200 GeV. Leveraging a multiphase transport (AMPT) model, the investigation delves into the sensitivity of these correlations to the final state effects, providing valuable insights into their potential for constraining the final state effects' p T dependencies. The HIJING model is employed as a benchmark for nonflow correlations, shedding light on their impact on interpreting SC and ASC data. Moreover, the study points out that differential SC and ASC with one and two particles of interest (POIs) typically incorporate contributions from event-plane angle fluctuations. Consequently, this work highlights the significance of SC and ASC with one and two POIs as valuable tools for investigating the p T nature of the final state effects and advocates for comprehensive experimental measurements across various beam energies and system sizes to enhance understanding and provide additional constraints for theoretical models. Published by the American Physical Society 2024

Physics↗
DOE OSTI2026

Human Factors and Technologies Design to Improve User Acceptance of Pooled Rideshare for Increasing Transportation System Energy Efficiency

This multi-year project delivered a comprehensive, human-factors-driven framework to understand, model, and improve pooled rideshare (PR) adoption in the United States. Through three large-scale national survey studies involving more than 16,000 participants across multiple cities and demographic groups, the research established one of the most extensive datasets to date on user perceptions, behavioral barriers, and service expectations related to pooled rideshare. These data revealed key human factors barriers of user acceptance of PR and suggested potential actionable experience optimizations that could lead to increased PR usage. This foundational knowledge guided the development of novel human-factors models and behavioral choice models that quantify how psychological, demographic, and trip-level factors influence willingness to pool. Building on these empirical insights, the project developed advanced behavioral modeling tools, including mixed logit and integrated choice and latent variable models, to capture both observable and latent influences on PR adoption. These models significantly improved the ability to predict riders’ acceptance of pooled trips, explaining choice heterogeneity through latent constructs such as safety, service experience, privacy concerns, time sensitivity, and environmental attitudes. Together, these models provide a robust analytical foundation for designing PR systems that more effectively meet user needs. The project translated human-factors insights and behavioral models into actionable technology innovations by extending POLARIS—an agent-based, activity-based travel simulation platform—into a fully functional pooled rideshare simulation environment. New PR modules, acceptance models, and regional scenarios were implemented for Greenville, SC and Austin, TX, enabling high-fidelity validation of algorithmic strategies under realistic demand and traffic conditions. The simulation platform supported the development and evaluation of adaptive discount-based assignment algorithms, enhanced willingness-to-pay formulations, demographic-aware incentive mechanisms, and a proactive joint assignment and repositioning strategy. Simulation results demonstrated substantial gains in pooling uptake, average vehicle occupancy, energy efficiency, and fleet profitability. In Greenville, pooling adoption more than doubled, while reductions in vehicle-miles traveled and energy consumption were significant. In Austin, pooling improvements were achieved with minimal service-quality trade-offs, and profitability increased across all fleet sizes. Through this research, we developed a comprehensive understanding of the human factors barriers that limit user acceptance of pooled rideshare services. These insights enabled the design of human-factors-aware pooled rideshare technologies that more effectively address user concerns and improve adoption rates. By integrating these models into an advanced agent-based simulation framework, we demonstrated that higher adoption of pooled rideshare can lead to measurable improvements in energy efficiency and system performance. Together, these contributions establish a validated pathway from human-centered analysis to technology development and energy-saving outcomes, supporting national goals for more sustainable and efficient mobility systems.

Jia, Yunyi↗
DOE OSTI2025

Multi-scale dynamic modeling and validation of radial flow fixed bed contactors for post-combustion CO 2 capture using bench scale and pilot plant data

Here, in this work, a multi-scale model of a radial flow fixed bed contactor packed with a carbon sorbent is developed and validated with laboratory-scale and pilot plant scale dynamic data. For the lab scale system, the model results were compared with low, medium and high gas and sweep flowrates, yielding root mean square error (RMSE) of 0.80, 0.63, 0.96 CO 2 mol%, respectively, for the outlet CO 2 concentration profile considering the entire A-D cycle. For the bed outer temperature profile, maximum RMSE was found to be 5.5 °C considering all flowrates and entire A-D cycles. An experimental campaign was developed and applied to a pilot plant at Technology Center Mongstad (TCM), Norway. Approaches were developed for pre-processing of data including consideration of the effect of gas mixing, measurement delay, and determination of cyclic steady-state conditions. Considering profiles during A-D cycles for all test runs, it was found that the maximum RMSE for pressure drop, temperature for the outer section of the bed, temperature for the middle section of the bed, and outlet CO 2 concentration profile remained less than 1.5 mbar, 3.5 °C, 2.8 °C, and 1.3 CO 2 mol%, respectively. The validated model was used to perform sensitivity studies on several key design operating variables for the adsorption-desorption cycle. It was found that the flow rate and concentration of flue gas have dominant nonlinear effects on the breakthrough time while the desorption time was strongly affected by the sweep gas flowrate for the specific sorbent being evaluated in this study.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Experimental protocol for phase 1 of the APARC QUOCA (QUasibiennial oscillation and Ozone Chemistry interactions in the Atmosphere) working group

The quasi-biennial oscillation (QBO) is the main mode of variability in the tropical stratosphere, influencing the predictability of other regions in the atmosphere through its teleconnections to the stratospheric polar vortices and coupling to surface tropical and extratropical variability. However, climate and forecasting models consistently underestimate QBO amplitudes in the lower stratosphere, likely contributing to their failure to simulate these teleconnections. One underexplored contributor to model biases is missing representation of ozone-radiative feedbacks, which enhance temperature variability in the lower stratosphere, particularly at periods at and greater than the QBO (>28 months). While previous studies suggest that ozone-radiative feedbacks can impact QBO periods, amplitudes and the associated secondary circulation in the lower stratosphere, the reported impacts differ widely among models and are hard to interpret due to differences in methodology. To this end, here we propose a coordinated experimental protocol – held joint between the Atmospheric Processes and their Role in Climate (APARC) Quasi-Biennial Oscillation Initiative (QBOi) and Chemistry Climate Modeling Initiative (CCMI) activities – which is aimed at assessing the coupling between stratospheric ozone, temperature and the circulation. We use the proposed experiments to define the ozone feedback on the QBO in both present-day and idealized (abrupt quadrupling of carbon dioxide) climates. While primary focus is on the QBO, the proposed protocol also enables analysis of other aspects of ozone-radiative-dynamical coupling in the atmosphere, including impacts on the Brewer-Dobson Circulation and tropospheric eddy-driven jet responses to future climate change. Here we document the scientific rationale and design of the QUOCA Phase 1 experiments, summarize the data request, and give a brief overview of participating models. Preliminary results using the NASA Goddard Institute for Space Studies E2-2 climate model are used to illustrate sensitivities to certain methodological choices.

Environmental sciences↗
DOE OSTI2024

Future projections of storm surge in Hurricane Katrina and sensitivity to meteorological forcing resolution

In this study, we investigated whether and how the storm surge induced by Hurricane Katrina could change if it occurs in a future warmer climate, and the sensitivity of the changes to atmospheric forcing resolution. Climate model simulations of Hurricane Katrina at 27 km, 4.5 km, and 3 km resolutions were used to drive storm surge simulations in historical and future climates using the ADvanced CIRCulation (ADCIRC) model. We found that peak surge height increased significantly in the future with all forcing resolutions. However, the future projection is 22% greater in the 3 km forcing, typical of regional climate models, compared to the 27 km forcing, typical of state-of-the-art global climate models. Additionally, the spatial extent of the future change is highly sensitive to forcing resolution, extending most broadly under the 27 km forcing. Furthermore, we found that storm surge duration decreases in the future with all forcing resolutions due to increasing TC translation speed and decreasing ocean lifetime. However, the future change in the surge duration is sensitive to the forcing resolution, decreasing by 31% in the 27 km forcing and 6% in the 3 km forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The Interaction Between Climate Forcing and Feedbacks

A Perturbed Parameter Ensemble (PPE) with the Community Atmosphere Model version 6 (CAM6) is used to better understand the sensitivity of aerosol forcing and cloud feedbacks to changes in model processes. Aerosol forcing through aerosol-cloud interactions is mostly negative (a cooling) due to shortwave radiation, while feedbacks are positive or negative in different regions due to contrasting longwave and shortwave effects. Both forcing and feedbacks are related to the mean climate state. Higher magnitude cloud radiative effects generally mean larger magnitude net negative forcing and larger magnitude net positive feedback. Aerosol forcing is broadly related to the susceptibility of clouds to drop number. Feedbacks also related to susceptibility, but to a lesser extent and in different regions to aerosol forcing. Aerosol forcing and cloud feedbacks are anti-correlated in the CAM6 PPE such that stronger negative forcing is associated with stronger positive feedbacks. Even the processes governing forcing and feedback sensitivity in the PPE are similar. These include the warm rain formation process, ice loss processes and deep convective intensity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Improved Charge Sensing on a SiMOS Double Quantum Dot using a Cryogenic Skipper Readout ASIC (Quandarum)

Major outstanding questions in high-energy physics such as the nature of dark matter and the existence of interactions beyond the standard model require new measurement techniques which are extremely sensitive to minute electromagnetic fields. An array of entangled spin qubits is a promising system for building novel detectors due to its combination of sensitivity and controllability. CMOS-based electron spin qubits, which have demonstrated the operational requirements for fault-tolerant quantum computing [1], offer a particular opportunity due to their compatibility with classical electronics, which allows the leveraging of decades of development of low-noise cryogenic detectors for physics. In this work, we combine a SiMOS double-quantum dot device architecture with a state-of-the-art cryoelectronic readout circuit [2-3] aimed to demonstrate improved charge readout using a single-electron transistor (SET). We identify the design characteristics for an SET that facilitate the use of on-chip classical electronics as a low-power, high-bandwidth first amplification stage and explore opportunities for sensor-readout co-design to minimize noise. This is the first of a series of steps to demonstrate high-fidelity readout of a large array of spin qubit with enough sensitivity to probe processes of interest for the investigation of beyond-standard-model physics.

Quinn, Adam [Fermilab]↗
DOE OSTI2024

Measurement of (anti)alpha production in central Pb–Pb collisions at $\sqrt{s_{NN}} = 5.02$ TeV

In this letter, measurements of (anti)alpha production in central (0–10%) Pb–Pb collisions at a center-of-mass energy per nucleon–nucleon pair of $\sqrt{s_{NN}} = 5.02$ TeV are presented, including the first measurement of an antialpha transverse-momentum spectrum. Owing to its large mass, the production of (anti)alpha is expected to be sensitive to different particle production models. The production yields and transverse-momentum spectra of nuclei are of particular interest because they provide a stringent test of these models. The averaged antialpha and alpha spectrum is compared to the spectra of lighter particles, by including it into a common blast-wave fit capturing the hydrodynamic-like flow of all particles. This fit is indicating that the (anti)alpha also participates in the collective expansion of the medium created in the collision. A blast-wave fit including only protons, (anti)alpha, and other light nuclei results in a similar flow velocity as the fit that includes all particles. A similar flow velocity, but a significantly larger kinetic freeze-out temperature is obtained when only protons and light nuclei are included in the fit. The coalescence parameter B 4 is well described by calculations from a statistical hadronization model but significantly underestimated by calculations assuming nucleus formation via coalescence of nucleons. Similarly, the (anti)alpha-to-proton ratio is well described by the statistical hadronization model. On the other hand, coalescence calculations including approaches with different implementations of the (anti)alpha substructure tend to underestimate the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Proposal for broad-range directional detection of light dark matter in cryogenic ice

We propose hexagonal ice (H 2 ⁡O) as a new target for light dark matter (DM) direct detection. Ice, a polar material, is suitable for single phonon detection through DM scattering for which we consider light dark photon and light scalar mediator models. We report a rate sensitivity down to a DM mass of ~keV, constituting a broader mass range than other promising candidates. We find better sensitivity for near-term experimental thresholds from the presence of high-frequency phonons. These advantages, and ice’s availability, make it highly promising for single-phonon detection.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Applicability of semiclassical theories in the strong-field plasma regime

For many purposes, classical plasma dynamics models can work surprisingly well, even for strong electromagnetic fields, approaching the Schwinger critical fields, and high frequencies, approaching the Compton frequency. However, the applicability of classical models tends to depend rather sensitively on the details of the problem. In the present paper, we study the specific case of plasma oscillations to draw a line between the classical and quantum relativistic regimes. Here, due to the field geometry of study, mechanisms like radiation reaction and Breit-Wheeler pair production, which tend to be important for electromagnetic fields, are rather effectively suppressed. Moreover, we find that the polarization current due to the electron spin is generally negligible for frequencies below the Compton frequency, compared with the free current, whose magnitude is well-approximated by the classical Vlasov theory. However, we show that pair creation due to the Schwinger mechanism can sometimes be important for surprisingly modest field strengths, of the order of 10% of the critical field or even smaller. A rough guideline for when the classical Vlasov theory can be applied is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Kinetic Monte Carlo simulations of aging in δ -Pu

We have developed a first-passage kinetic Monte Carlo approach for materials aging to investigate the sensitivity of void swelling to model parameters, including helium bubble density and size distribution. In addition to explicitly accounting for the spatial distribution of individual point defects, bubbles, and voids, our approach can simulate total doses equivalent to 100 years of natural aging on statistically representative volumes of materials. This technique enables us to study the effects on swelling and radiation damage evolution due to temperature and dose rate (as altered in artificially aged experiments), differences in effective interaction radii between vacancies and interstitials, and varying defect diffusion activation energies, while providing more detailed information than previous rate-equation based approaches. In conclusion, our results indicate that spatial effects that are not modeled in mean-field rate theories could play a significant role in void swelling initiation and growth for certain regimes of model parameters.

Actinides↗
DOE OSTI2025

Design of an Out-Of-Pile Experimental Facility to Demonstrate the Feasibility of In Situ Thermal Conductivity Measurements of Nuclear Fuels Under Irradiation

There is substantial merit in quantifying nuclear fuel performance under irradiation. At Oak Ridge National Laboratory (ORNL), the MiniFuel irradiation platform has become the primary test vehicle for conducting separate-effects fuel performance irradiation experiments. The MiniFuel experiment is a passively controlled capsule design deployed in the High Flux Isotope Reactor (HFIR) through which fuel performance data is collected post-irradiation. Separate effects fuels irradiation capabilities are being expanded at ORNL by developing instrumented capsule designs that aim to capture fuel performance phenomena in-situ. One such capsule will specifically target fuel specimen thermal conductivity changes as a function of fuel burnup. Due to the complexity of making this measurement on nuclear fuel in-pile, this paper describes the necessary out-of-pile testing conducted on the thermal conductivity capsule (TCC) design. The measurement is ascertained via a thermopile system with heat transferred unidirectionally through a surrogate fuel specimen sandwiched between two conductive materials. The capsules investigated in this study are representative of the in-pile design, with the primary departure from irradiation conditions being the distribution of heat generation within the capsule. In the out-of-pile experiment, an external heater was used to drive heat through the conductive slug materials and into the specimen. This paper expounds the design of the out-of-pile experimental system and the thermal conductivity measurement technique. Predictive models used to determine the sensitivity of the measurement to variables governing thermal contact conductance between the specimen and slug materials and to predict experimental results are also described. Data from the out-of-pile experiment will be used to validate the readiness of the design for insertion into HFIR for irradiation.

Parker, Trevor [ORNL]↗
DOE OSTI2024

Measurement of the anomalous spin precession frequency $\omega_a$ in the Muon g - 2 experiment at Fermilab

The muon magnetic anomaly aµ = (gµ - 2)/2 is a low-energy observable,which can be both measured and computed to high precision, making ita sensitive test of the Standard Model (SM). In April 2021, the E989 Collaborationat Fermilab National Accelerator Laboratory (FNAL) published the first resultbased on the first year of data taking (Run-1), and in August 2023 a new resultwas published based on two more years of data taking (Run-2 and Run-3). Thenew result was in agreement with the first one and with the previous experimentat Brookhaven National Laboratory (BNL), and the combination of these resultsbrought the uncertainty on the experimental measurement of aµ to the unprecedentedvalue of 0.19 parts per million (ppm). This paper will present details aboutthe improvements and upgrades since the 2021 result, and it will describe the finalstatistical and systematic sources of uncertainty on .a in the 2023 result.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Simulating the Phonon Collection Efficiency in KIPMDs

Kinetic inductance phonon-mediated (KIPM) detectors are superconducting microcalorimeters that use microwave kinetic inductance detectors (MKIDs) to read out phonon signals in the device substrate. In order to improve the design of these detectors, we need to understand the effect of various detector design elements on the physical processes that take place within the detector through simulation efforts. One figure of merit for KIPM detectors is the phonon collection efficiency, $\eta_{ph]$, defined as the ratio of phonon energy detected by the sensitive element in the detector and the energy deposited by incident phonons in the substrate. Comparing the phonon collection efficiency obtained in simulation and in experiment for the same detector geometry provides insight to physical processes in the detector, such as phonon absorption at substrate-sensor interfaces and phonon loss to non-sensitive detector elements. This work models the phonon collection efficiency in two KIPM detectors with different geometries, one located at the Fermi National Accelerator Laboraory, the other located at the SLAC National Accelerator Laboratory.

Dang, Stella Q.↗
DOE OSTI2024

Constraining the Dense Matter Equation of State with New NICER Mass–Radius Measurements and New Chiral Effective Field Theory Inputs

Pulse profile modeling of X-ray data from the Neutron Star Interior Composition Explorer is now enabling precision inference of neutron star mass and radius. Combined with nuclear physics constraints from chiral effective field theory (χEFT), and masses and tidal deformabilities inferred from gravitational-wave detections of binary neutron star mergers, this has led to a steady improvement in our understanding of the dense matter equation of state (EOS). Here, we consider the impact of several new results: the radius measurement for the 1.42 M ⊙ pulsar PSR J0437−4715 presented by Choudhury et al., updates to the masses and radii of PSR J0740+6620 and PSR J0030+0451, and new χEFT results for neutron star matter up to 1.5 times nuclear saturation density. Using two different high-density EOS extensions—a piecewise-polytropic (PP) model and a model based on the speed of sound in a neutron star (CS)—we find the radius of a 1.4 M ⊙ (2.0 M ⊙ ) neutron star to be constrained to the 95% credible ranges ${12.28}_{-0.76}^{+0.50}$ km (${12.33}_{-1.34}^{+0.70}$ km) for the PP model and ${12.01}_{-0.75}^{+0.56}$ km (${11.55}_{-1.09}^{+0.94}$ km) for the CS model. The maximum neutron star mass is predicted to be ${2.15}_{-0.16}^{+0.14}$M ⊙ and ${2.08}_{-0.16}^{+0.28}$M ⊙ for the PP and CS models, respectively. We explore the sensitivity of our results to different orders and different densities up to which χEFT is used, and show how the astrophysical observations provide constraints for the pressure at intermediate densities. Moreover, we investigate the difference R 2.0 − R 1.4 of the radius of 2 M ⊙ and 1.4 M ⊙ neutron stars within our EOS inference.

gravitational wave sources↗