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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation

Photosynthesis converts solar energy into chemical energy through coordinated energy transfer between light-harvesting complexes and reaction centers (RCs). Understanding exciton motion, particularly the exciton diffusion length, is essential for optimizing energy efficiency in photosystems. In this work, we combine intensity-cycling transient absorption spectroscopy with kinetic Monte Carlo (kMC) simulation to investigate exciton motion in the C2S2 photosystem II supercomplex of spinach. Using exciton–exciton annihilation, revealed in the fifth-order response, we experimentally estimate an exciton diffusion length of 10.9 nm based on a 3D normal diffusion model, suggesting the ability of excitons to traverse the supercomplex. However, kMC simulations reveal that exciton motion is sub-diffusive because of spatial constraints and the strong RC traps. An anomalous diffusion model analysis of the experimental data yields a diffusion length of 9.7 nm, while the simulated diffusion length is 7.4 nm. The variable exciton residence time across subunits, partly influenced by their connectivity to the trap, indicates inhomogeneous annihilation probability and suggests how plants balance efficient light harvesting with photoprotection. We also explore the influence of specific assumptions in the annihilation simulation, which are challenging to access in more complex environments, such as the thylakoid membrane. Our study provides a framework for studying exciton dynamics using exciton–exciton annihilation, which can be extended to understand the light-harvesting efficiencies of larger, more complex photosynthetic assemblies.

Zhang, Kunyan (ORCID:000000026830409X)↗
DOE OSTI2025

The accuracy of multi-group models for nonlocal electron transport in magnetized plasmas

In the extreme conditions of inertial confinement fusion experiments, heat flow plays a vital role, but local diffusive models frequently break down and overestimate the heat flow. The situation becomes more complicated again in the significant magnetic fields generated during laser–plasma interactions or in magnetized fusion schemes. Accurate non-local and magnetized heat flow computations can be carried out using Vlasov–Fokker–Planck (VFP) simulations, but these are computationally expensive. There is, therefore, significant interest in using faster multi-group models to accurately calculate the non-local heat flow in magnetized plasmas. We benchmark two such multi-group models for calculating the heat flow, M1 and hybrid-AWBS-BGK, against diffusive models and full VFP simulations, before applying the models to realistic example test cases, both magnetized and unmagnetized. We find that the multi-group models generally perform very well for moderate non-localities up to kλmfp∼0.01, but the computational cost increases dramatically. hybrid-AWBS-BGK performs more effectively than M1 at high non-localities, up to kλmfp∼1, due to its adaptive solver and robust P1 closure, but tends to fail in very strong magnetic fields. Both codes are much faster than VFP simulations but are still slow in steep temperature gradients.

Arran, C. (ORCID:0000000286448118)↗
NASA NTRS1990

Laminar flamelet modeling of turbulent diffusion flames

In modeling turbulent combustion, decoupling the chemistry from the turbulence is of great practical significance. In cases in which the equilibrium chemistry model breaks down, laminar flamelet modeling (LFM) is a promising approach to decoupling. Here, the validity of this approach is investigated using direct numerical simulation of a simple chemical reaction in two-dimensional turbulence.

Mell, W. E.↗
NASA NTRS1980

Modeling of diffuse interstellar clouds - The case of Gamma Arae

Observations of the interstellar cloud toward Gamma Arae (Morton and Hu, 1975) are analyzed with an improved version of the isobaric, steady-state model of Glassgold and Langer (1974). Good agreement is obtained using parameters which are close to those which represent the average properties of many diffuse interstellar clouds. The successful correlation of the data for H, H2, C II, C I, OI, CO, and OH supports current concepts on interstellar thermodynamics and chemistry.

Federman, S. R.↗
NASA NTRS1974

Impact of combustion products from Space Shuttle launches on ambient air quality

The present work describes some multilayer diffusion models and a computer program for these models developed to predict the impact of ground clouds formed during Space Shuttle launches on ambient air quality. The diffusion models are based on the Gaussian plume equation for an instantaneous volume source. Cloud growth is estimated on the basis of measurable meteorological parameters: standard deviation of the wind azimuth angle, standard deviation of wind elevation angle, vertical wind-speed shear, vertical wind-direction shear, and depth of the surface mixing layer. Calculations using these models indicate that Space Shuttle launches under a variety of meteorological regimes at Kennedy Space Center and Vandenberg AFB are unlikely to endanger the exposure standards for HCl; similar results have been obtained for CO and Al2O3. However, the possibility that precipitation scavenging of the ground cloud might result in an acidic rain that could damage vegetation has not been investigated.

Dumbauld, R. K.↗
NASA NTRS2011

Measuring Moisture Levels in Graphite Epoxy Composite Sandwich Structures

Graphite epoxy composite (GEC) materials are used in the construction of rocket fairings, nose cones, interstage adapters, and heat shields due to their high strength and light weight. However, they absorb moisture depending on the environmental conditions they are exposed to prior to launch. Too much moisture absorption can become a problem when temperature and pressure changes experienced during launch cause the water to vaporize. The rapid state change of the water can result in structural failure of the material. In addition, heat and moisture combine to weaken GEC structures. Diffusion models that predict the total accumulated moisture content based on the environmental conditions are one accepted method of determining if the material strength has been reduced to an unacceptable level. However, there currently doesn t exist any field measurement technique to estimate the actual moisture content of a composite structure. A multi-layer diffusion model was constructed with Mathematica to predict moisture absorption and desorption from the GEC sandwich structure. This model is used in conjunction with relative humidity/temperature sensors both on the inside and outside of the material to determine the moisture levels in the structure. Because the core materials have much higher diffusivity than the face sheets, a single relative humidity measurement will accurately reflect the moisture levels in the core. When combined with an external relative humidity measurement, the model can be used to determine the moisture levels in the face sheets. Since diffusion is temperaturedependent, the temperature measurements are used to determine the diffusivity of the face sheets for the model computations.

Nurge, Mark↗
NASA NTRS1988

A closure model of diffusion transport of the Reynolds-stress equations and its application to a turbulent step flow

A study is made for the development and computations of the separating and reattaching shear flows. The highlight of the study is an attempt to predict the third-moments of turbulent velocity which is responsible for the diffusion transport of the Reynolds stresses. The present computations show that the third-moments obtained by employing the low-Reynolds number model of transport equations improve the prediction of the third-moments.

Amano, R. S.↗
DOE OSTI2026

Improving unfolding and systematic uncertainty estimation using generative diffusion networks (Final Technical Report)

This final technical report summarizes the key accomplishments on the unfolding using diffusion model project, a DOE award received by PI Pierre-Hugues Beauchemin at Tufts University. This project main goal was to investigate the potential of diffusion models for unfolding experimental High Energy Physics data from detector effects while controlling systematics uncertainties. The project accomplished its goals by completing the following objectives: 1) Performing an object-by-object, event-by-event unfolding of various kinematic distributions reconstructed from detector data in HEP in a way that keeps correlations between unfolded observables while demonstrating competitive performance compared to standard algorithms used in the field; 2) Address the generalization problem by developing an unfolding algorithm capable to correctly infer the underlying distributions of observables and processes never seen before, while controlling the dominant theoretical uncertainties affecting the process, therefore increasing the effectiveness, the precision, and the applicability of the developed algorithm; 3) Understand the theoretical foundations between the developed algorithm so to extend it to applications beyond experimental HEP, for broader benefits to the society. This report provides an overview of the accomplishments related to each of these key objectives.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Research in the use of electrets in measuring effluents from rocket exhaust of the space shuttle (6.4 percent scaled model) and Viking 1 launch

Electrets used to detect the chemical composition of rocket exhaust effluents were investigated. The effectiveness of electrets was assessed while comparisons were made with hydrogen chloride measuring devices from chamber and field tests, and computed results from a multilayer diffusion model. The experimental data used were obtained from 18 static test firings, chamber tests, and the Viking 1 launch to Mars. Results show that electrets have multipollutant measuring capabilities, simplicity of deployment, and speed of assessment. The electrets compared favorably with other hydrogen chloride measuring devices. The summary of the measured data from the electrets and the hydrogen chloride detectors was within the upper and lower bounds of the computed hydrogen chloride concentrations from the multilayer diffusion model.

Susko, M.↗
NASA NTRS1978

Rocket exhaust ground cloud/atmospheric interactions

An attempt to identify and minimize the uncertainties and potential inaccuracies of the NASA Multilayer Diffusion Model (MDM) is performed using data from selected Titan 3 launches. The study is based on detailed parametric calculations using the MDM code and a comparative study of several other diffusion models, the NASA measurements, and the MDM. The results are discussed and evaluated. In addition, the physical/chemical processes taking place during the rocket cloud rise are analyzed. The exhaust properties and the deluge water effects are evaluated. A time-dependent model for two aerosol coagulations is developed and documented. Calculations using this model for dry deposition during cloud rise are made. A simple model for calculating physical properties such as temperature and air mass entrainment during cloud rise is also developed and incorporated with the aerosol model.

Hwang, B.↗
NASA NTRS1994

Theoretical calculations of ion acceleration in the vicinity of comet Giacobini-Zinner

Ionization of cometary neutral molecules produces ions which are picked up by the solar wind. The cometary ion pickup process for comet Giacobini-Zinner is studied in two ways: (1) with a test particle method in which trajectories are numerically calculated for several thousand ions whose initial locations were chosen randomly with probability proportional to the neutral density and (2) with a quasi-linear diffusion model. The cometary ion distribution function was calculated with the test particle model at several locations upstream of the bow shock and for several types of magnetic fluctuations (or waves). These waves were allowed to propagate in both directions along the magnetic field at the Alfven speed. Both pitch angle scattering and energy diffusion are evident in the derived ion distributions. The monochromatic waves result in less ion acceleration than turbulent fluctuations with about the same amplitude. The calculated ion distribution functions are in reasonable agreement with the distributions measured in the vicinity of comet Giacobini-Zinner in 1985 by particle detectors on the ICE spacecraft when the ratio of power in sunward propagating Alfven waves to the power in antisunward propagating waves is assumed to lie between about 20% and 50%. However, the quasi-linear diffusion model results agree best with the measured distribution functions when the power ratio is only about 3 percent.

Mckenzie, M. L.↗
DOE OSTI2025

Simulations of the churning mode: Toroidally symmetric plasma convection and turbulence around the X-points in a snowflake divertor

Using a reduced MHD model, extended to include field-aligned thermal conduction, we present numerical simulations of the churning mode (CM): a toroidally symmetric, non-linear plasma vortex in the vicinity of the null points in a snowflake (SF) divertor [D. D. Ryutov et al., Phys. Scr. 89, 088002 (2014)]. Simulations are carried out across a range of inter-null separations, d xx ⁠, and inter-null orientations, θ⁠, primarily in conditions relevant to the MAST-U tokamak. We find that, when d xx is small, the CM induces additional transport across the X-points when β pm ≳8%, where β pm is the ratio of the plasma pressure in the null region to poloidal magnetic pressure at the midplane. This transport also increases approximately linearly as d xx is reduced. A diffusive model of this transport is shown to predict the total transport across the null points, where diffusion coefficients of up to ∼ 10 2 m 2 s −1 centered on a small region around the X-points are used. However, the CM also results in significant changes to the flux surfaces in the null region, which is not captured by this diffusive model. The changes in magnetic geometry mean the fractional exhaust power delivered to each divertor leg is highly sensitive to β pm ⁠, d xx ⁠, and θ⁠. For small values of θ⁠, the CM can induce a change in topology, redirecting exhaust power from a secondary divertor leg on the high field side to one on the low field side. Similar behavior is found in the fraction of exhaust power going to the inner and outer divertor. Such changes in the flux surfaces may not be captured by Grad–Shafranov solvers and so may be a source of error in the magnetic reconstruction of SF experiments. We consistently find that the fractional exhaust power going to a secondary divertor leg on the high field side is small, consistent with SF experiments.

Computer simulation↗
DOE OSTI2025

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗
NASA NTRS1983

Numerical solution of the problem of flame propagation by the use of the random element method

A numerical, grid-free algorithm is presented for one-dimensional reaction-diffusion model of laminar flame propagation in premixed gases. It is based on the random element method we developed for the analysis of diffusional processes. The effect of combustion is taken into account by applying the principle of fractional steps to separate the process of diffusion, modeled by the random walk of computational elements, from the exothermic effects of chemical reaction, monitoring their strength. The validity of the algorithm is demonstrated by application to flame propagation problems for which exact solutions exist. The flame speed evaluated by its use oscillates around the exact value at a relatively small amplitude, while the temperature and species concentration profiles are self-correcting in their convergence to the exact solution. A satisfactory resolution is obtained by the use of quite a small number of computational elements which automatically adjust their distribution of fit sharp gradients.

Ghoniem, A. F.↗
NASA NTRS1978

Estimates of ground-level mercury vapor concentrations from postulated launch-pad accidents of NASA space transportation systems

NASA has considered the use of mercury ion bombardment engines as extra-terrestrial propulsion systems where low thrust must be provided for long periods of time. However, the mercury fuel in these engines may pose a hazard if it is accidentally released to the troposphere. A description is presented of diffusion-model estimates of maximum 10-minute and 24-hour ground-level concentrations that could result from the accidental release of mercury from Titan/Centaur and Space Shuttle/Tug transportation systems. Three types of accidental release modes have been considered in the concentration calculations. For all three modes, the diffusion-model calculations were made for a variety of meteorological conditions in an effort to obtain estimates of the maximum credible concentrations under 'worst-case' conditions.

Dumbauld, R. K.↗
DOE OSTI2025

Observation of kinetic mix enhancement in thin-shell OMEGA implosions

Recent separated reactant experiments for thin-shell (6 µ⁢m) shock-driven implosions on OMEGA have demonstrated significant mix from a buried deuterated layer of the shell into the hot spot. Time resolved D 3 He-p reaction history data demonstrate a (50 ± 20)⁢ ps shift earlier in peak nuclear emission for separated reactant experiments relative to control, in contrast to past experimental data for thicker, 20 µ⁢m shells with no laser burn through that show a 75 ps delay due to the time required for hydrodynamic instabilities to develop. This contrast suggests that the mix mechanism was not hydrodynamic. Ion kinetic simulations utilizing fall line analyses show much closer agreement with mix yield and temperature than diffusion models, predicting a D 3 He-p mix yield of 1.7 × 10 9 as compared to the experimental value of 9.3⁢ (±2.1) × 10 8 . This is three orders of magnitude closer than the fall line analysis from a hydrodynamic simulation with an inline diffusive mix model, which suggests minimal mix and D 3 He-p yields of 5×10 5 . This makes kinetic mechanisms the only feasible explanation for the mix seen, demonstrating impact of a non-standard mix mechanism. An analytical model of this kinetic mix mechanism suggests that it can remain significant in situations when the shell expands significantly to low densities, and diffusive models predict negligible mix. Finally, kinetic mix will impact multiple types of high energy density, laser-driven fusion experiments including high-adiabat direct drive cryoexperiments, nuclear cross section experiments, and thin-shell polar direct drive experiments used to tune heat conduction models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

Assessment of Remote Sensing Technologies for Location of Hydrogen and Helium Leaks

In Phase 1 of this project, a hierarchy of techniques for H2 and He leak location was developed. A total of twelve specific remote sensing techniques were evaluated; the results are summarized. A basic diffusion model was also developed to predict the concentration and distribution of H2 or He resulting from a leak. The objectives of Phase 2 of the project consisted of the following four tasks: Advance Rayleigh Doppler technique from TRL 1 to TRL 2; Plan to advance Rayleigh Doppler technique from TRL 2 to TRL 3; Advance researchers and resources for further advancement; Extend diffusion model.

Sellar, R. Glenn↗
NASA NTRS2010

Development and Application of Agglomerated Multigrid Methods for Complex Geometries

We report progress in the development of agglomerated multigrid techniques for fully un- structured grids in three dimensions, building upon two previous studies focused on efficiently solving a model diffusion equation. We demonstrate a robust fully-coarsened agglomerated multigrid technique for 3D complex geometries, incorporating the following key developments: consistent and stable coarse-grid discretizations, a hierarchical agglomeration scheme, and line-agglomeration/relaxation using prismatic-cell discretizations in the highly-stretched grid regions. A signi cant speed-up in computer time is demonstrated for a model diffusion problem, the Euler equations, and the Reynolds-averaged Navier-Stokes equations for 3D realistic complex geometries.

Nishikawa, Hiroaki↗