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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Efficient many-jet event generation with flow matching

We apply for the first time, to the best of our knowledge, the flow matching method to the problem of phase-space sampling for event generation in high-energy collider physics. By training the model to remap the random numbers used to generate the momenta and helicities of the scattering matrix elements as implemented in the portable partonic event generator pepper, we find substantial efficiency improvements in the studied processes. We focus our study on the highest final-state multiplicities in Drell-Yan and top-antitop pair production used in simulated samples for the Large Hadron Collider, which computationally are the most relevant ones. We find that the unweighting efficiencies improve by factors of 184 and 25, respectively, when compared to the standard approach of using a vegas-based optimization. We also compare continuous normalizing flows trained with flow matching against the previously studied normalizing flows based on coupling layers and find that the former leads to better results, faster training and a better scaling behavior across the studied multiplicity range, while the latter evaluate faster. When combining the advantages of both methods using the regflow approach, we find parton-level unweighted event generation walltime gains of about a factor of 10 at the highest final-state multiplicities.

Bothmann, E. [CERN; Gottingen U.] (ORCID:000000016↗
DOE OSTI2026

Flow matching meets biology and life science: a survey

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, catalysis discovery, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2010

Initial Flow Matching Results of MHD Energy Bypass on a Supersonic Turbojet Engine Using the Numerical Propulsion System Simulation (NPSS) Environment

Preliminary flow matching has been demonstrated for a MHD energy bypass system on a supersonic turbojet engine. The Numerical Propulsion System Simulation (NPSS) environment was used to perform a thermodynamic cycle analysis to properly match the flows from an inlet to a MHD generator and from the exit of a supersonic turbojet to a MHD accelerator. Working with various operating conditions such as the enthalpy extraction ratio and isentropic efficiency of the MHD generator and MHD accelerator, interfacing studies were conducted between the pre-ionizers, the MHD generator, the turbojet engine, and the MHD accelerator. This paper briefly describes the NPSS environment used in this analysis and describes the NPSS analysis of a supersonic turbojet engine with a MHD generator/accelerator energy bypass system. Results from this study have shown that using MHD energy bypass in the flow path of a supersonic turbojet engine increases the useful Mach number operating range from 0 to 3.0 Mach (not using MHD) to an explored and desired range of 0 to 7.0 Mach.

Benyo, Theresa L.↗
NASA NTRS2011

Flow Matching Results of an MHD Energy Bypass System on a Supersonic Turbojet Engine Using the Numerical Propulsion System Simulation (NPSS) Environment

Flow matching has been successfully achieved for an MHD energy bypass system on a supersonic turbojet engine. The Numerical Propulsion System Simulation (NPSS) environment helped perform a thermodynamic cycle analysis to properly match the flows from an inlet employing a MHD energy bypass system (consisting of an MHD generator and MHD accelerator) on a supersonic turbojet engine. Working with various operating conditions (such as the applied magnetic field, MHD generator length and flow conductivity), interfacing studies were conducted between the MHD generator, the turbojet engine, and the MHD accelerator. This paper briefly describes the NPSS environment used in this analysis. This paper further describes the analysis of a supersonic turbojet engine with an MHD generator/accelerator energy bypass system. Results from this study have shown that using MHD energy bypass in the flow path of a supersonic turbojet engine increases the useful Mach number operating range from 0 to 3.0 Mach (not using MHD) to a range of 0 to 7.0 Mach with specific net thrust range of 740 N-s/kg (at ambient Mach = 3.25) to 70 N-s/kg (at ambient Mach = 7). These results were achieved with an applied magnetic field of 2.5 Tesla and conductivity levels in a range from 2 mhos/m (ambient Mach = 7) to 5.5 mhos/m (ambient Mach = 3.5) for an MHD generator length of 3 m.

Benyo, Theresa L.↗
DOE OSTI2022

A Nonaqueous Redox‐Matched Flow Battery with Charge Storage in Insoluble Polymer Beads**

Abstract We describe the nonaqueous redox‐matched flow battery (RMFB), where charge is stored on redox‐active moieties covalently tethered to non‐circulating, insoluble polymer beads and charge is transferred between the electrodes and the beads via soluble mediators with redox potentials matched to the active moieties on the beads. The RMFB reported herein uses ferrocene and viologen derivatives bound to crosslinked polystyrene beads. Charge storage in the beads leads to a high (approximately 1.0–1.7 M) effective concentration of active material in the reservoirs while preventing crossover of that material. The relatively low concentration of soluble mediators (15 mM) eliminates the need for high‐solubility molecules to create high energy density batteries. Nernstian redox exchange between the beads and redox‐matched mediators was fast relative to the cycle time of the RMFB. This approach is generalizable to many different redox‐active moieties via attachment to the versatile Merrifield resin.

25 ENERGY STORAGE↗
DOE OSTI2025

Flow matching beyond kinematics: Generating jets with particle identification and trajectory displacement information

We introduce the first generative model trained on the etlass dataset. Our model generates jets at the constituent level, and it is a permutation-equivariant continuous normalizing flow (CNF) trained with the flow matching technique. It is conditioned on the jet type, so that a single model can be used to generate the ten different jet types of etlass. For the first time, we also introduce a generative model that goes beyond the kinematic features of jet constituents. The etlass dataset includes more features, such as particle-ID and track impact parameter, and we demonstrate that our CNF can accurately model all of these additional features as well. Our generative model for etlass expands on the versatility of existing jet generation techniques, enhancing their potential utility in high-energy physics research, and offering a more comprehensive understanding of the generated jets. Published by the American Physical Society 2025

Birk, Joschka (ORCID:0000000219310127)↗
DOE OSTI2022

Towards Energy-Positive Buildings through a Quality-Matched Energy Flow Strategy

Current strategies for net-zero buildings favor envelopes with minimized aperture ratios and limiting of solar gains through reduced glazing transmittance and emissivity. This load-reduction approach precludes strategies that maximize on-site collection of solar energy, which could increase opportunities for net-zero electricity projects. To better leverage solar resources, a whole-building strategy is proposed, referred to as “Quality-Matched Energy Flows” (or Q-MEF): capturing, transforming, buffering, and transferring irradiance on a building’s envelope—and energy derived from it—into distributed end-uses. A mid-scale commercial building was modeled in three climates with a novel Building-Integrated, Transparent, Concentrating Photovoltaic and Thermal fenestration technology (BITCoPT), thermal storage and circulation at three temperature ranges, adsorption chillers, and auxiliary heat pumps. BITCoPT generated electricity and collected thermal energy at high efficiencies while transmitting diffuse light and mitigating excess gains and illuminance. The balance of systems satisfied cooling and heating demands. Relative to baselines with similar glazing ratios, net electricity use decreased 71% in a continental climate and 100% or more in hot-arid and subtropical-moderate climates. Total EUI decreased 35%, 83%, and 52%, and peak purchased electrical demands decreased up to 6%, 32%, and 20%, respectively (with no provisions for on-site electrical storage). Decreases in utility services costs were also noted. These results suggest that with further development of electrification the Q-MEF strategy could contribute to energy-positive behavior for projects with similar typology and climate profiles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A comparison of probabilistic generative frameworks for molecular simulations

Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. Here, in this work, we introduce and explain several classes of generative models, broadly sorted into two categories: flow-based models and diffusion models. We select three representative models: neural spline flows, conditional flow matching, and denoising diffusion probabilistic models, and examine their accuracy, computational cost, and generation speed across datasets with tunable dimensionality, complexity, and modal asymmetry. Our findings are varied, with no one framework being the best for all purposes. In a nutshell, (i) neural spline flows do best at capturing mode asymmetry present in low-dimensional data, (ii) conditional flow matching outperforms other models for high-dimensional data with low complexity, and (iii) denoising diffusion probabilistic models appear the best for low-dimensional data with high complexity. Our datasets include a Gaussian mixture model and the dihedral torsion angle distribution of the Aib9 peptide, generated via a molecular dynamics simulation. We hope our taxonomy of probabilistic generative frameworks and numerical results may guide model selection for a wide range of molecular tasks.

Artificial intelligence↗
DOE OSTI2021

Tomographic X-ray particle tracking velocimetry

We investigate the feasibility of in-laboratory tomographic X-ray particle tracking velocimetry (TXPTV) and consider creeping flows with nearly density matched flow tracers. Specifically, in these proof-of-concept experiments we examined a Poiseuille flow, flow through porous media and a multiphase flow with a Taylor bubble. For a full 360° computed tomography (CT) scan we show that the specially selected 60 micron tracer particles could be imaged in less than 3 seconds with a signal-to-noise ratio between the tracers and the fluid of 2.5, sufficient to achieve proper volumetric segmentation at each time step. In the pipe flow, continuous Lagrangian particle trajectories were obtained, after which all the standard techniques used for PTV or PIV (taken at visible wave lengths) could also be employed for TXPTV data. And, with TXPTV we can examine flows inaccessible with visible wave lengths due to opaque media or numerous refractive interfaces. In the case of opaque porous media we were able to observe material accumulation and pore clogging, and for flow with Taylor bubble we can trace the particles and hence obtain velocities in the liquid film between the wall and bubble, with thickness of liquid film itself also simultaneously obtained from the volumetric reconstruction after segmentation. While improvements in scan speed are anticipated due to continuing improvements in CT system components, we show that for the flows examined even the presently available CT systems could yield quantitative flow data with the primary limitation being the quality of available flow tracers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1985

Flow in a model turbine stator

In view of the complex nature of the flowfield in the hot section of gas turbine engines, the need to predict heat transfer and flow losses, the possible appearance of separation and strong secondary flows, etc., the present effort is focusing upon a Navier-Stokes approach to the three dimensional turbine stator problem. The advantages of a full Navier-Stokes approach are clear since when combined with a suitable turbulence model these equations represent the flow and heat transfer physics. In particular, the Navier-Stokes equations accurately represent possible separated regions and regions of significant secondary flow. In addition, the Navier-Stokes approach allows representation of the entire flow field by a single set of equations, thus avoiding problems associated with representing different regions of the flow by different equations and then matching flow regions.

Buggeln, R. C.↗
NASA NTRS2000

Suppression of Cavity-Driven Flow Separation in a Simulated Mixed Compression Inlet

A test facility designed to simulate a bifurcated subsonic diffuser operating within a mixed compression inlet is described. The subsonic diffuser in this facility modeled a bypass cavity feature often used in mixed compression inlets for engine flow matching and normal shock control. A bypass cavity-driven flow separation was seen to occur in the subsonic diffuser without applied flow control. Flow control in the form of vortex generators and/or a partitioned bypass cavity cover plate were used to eliminate this flow separation, providing a 2% increase in area-averaged total pressure recovery, and a 70% reduction in circumferential distortion intensity.

Wendt, Bruce J.↗
DOE OSTI2022

Economic analysis of CCUS: Accelerated development for CO 2 EOR and storage in residual oil zones under the context of 45Q tax credit

Residual oil zones (ROZ) undergoing CO 2 Enhanced Oil Recovery (CO 2 -EOR) may benefit from specific strategies to maximize their value. We evaluated several strategies for producing from a Permian Basin, West Texas, USA field’s ROZ. This ROZ lies below the main pay zone (MPZ) of the field. Such brownfield ROZs occur in the Permian Basin and elsewhere. Since brownfield ROZs are hydraulically connected to the MPZs, development sequences and schemes influence oil production, CO 2 storage, and net present value (NPV). We conducted economic assessments of various CO 2 injection/production schemes in the stacked ROZ-MPZ reservoir based on flow simulations of a high-resolution geocellular model built from wireline logs and core data and calibrated through production history matching. Flow simulations of water alternating gas (WAG) injection, such as switching injection from the MPZ to the ROZ and commingled production, were studied. Simulation results showed that simultaneous CO 2 injection into the MPZ and ROZ lead to the largest oil production and, generally, the largest NPV. If instead, CO 2 was simultaneously injected into the MPZ and ROZ, then into the ROZ alone, this maximized CO 2 storage. CO 2 storage can be used as a tax credit under the Internal Revenue Code, Section 45Q. Storage performance depends on the development approach and WAG ratio. Developing the ROZ increased storage compared to only producing from the MPZ. The WAG ratio to maximize oil production did not always yield the largest NPV. These findings are potentially applied to other Brownfield ROZs, which are common below San Andres reservoirs in the Permian Basin and other basins. ROZ development can increase oilfields’ NPV and carbon storage potential. Our study can serve as an analog for similar reservoirs. Here this work provides valuable insights into the further optimization of brownfield ROZ development and information for operators to plan to develop stacked ROZ-MPZ reservoirs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1983

Comparison of visualized turbine endwall secondary flows and measured heat transfer patterns

Various flow visualization techniques were used to define the secondary flows near the endwall in a large heat transfer data. A comparison of the visualized flow patterns and the measured Stanton number distribution was made for cases where the inlet Reynolds number and exit Mach number were matched. Flows were visualized by using neutrally buoyant helium-filled soap bubbles, by using smoke from oil soaked cigars, and by a few techniques using permanent marker pen ink dots and synthetic wintergreen oil. Details of the horseshoe vortex and secondary flows can be directly compared with heat transfer distribution. Near the cascade entrance there is an obvious correlation between the two sets of data, but well into the passage the effect of secondary flow is not as obvious.

Gaugler, R. E.↗
NASA NTRS1984

Comparison of visualized turbine endwall secondary flows and measured heat transfer patterns

Various flow visualization techniques were used to define the seondary flows near the endwall in a large heat transfer data. A comparison of the visualized flow patterns and the measured Stanton number distribution was made for cases where the inlet Reynolds number and exit Mach number were matched. Flows were visualized by using neutrally buoyant helium-filled soap bubbles, by using smoke from oil soaked cigars, and by a few techniques using permanent marker pen ink dots and synthetic wintergreen oil. Details of the horseshoe vortex and secondary flows can be directly compared with heat transfer distribution. Near the cascade entrance there is an obvious correlation between the two sets of data, but well into the passage the effect of secondary flow is not as obvious. Previously announced in STAR as N83-14435

Gaugler, R. E.↗