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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 271 records · Page 15

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DOE OSTI2025

Understanding the Effects of Inhomogeneities at the Back Interface of CdTe‐Based Solar Cells Using 2D Modeling

One-dimensional modeling cannot capture lateral inhomogeneities in CdTe-based devices. Here, we use 2D modeling to investigate the role of varying energetics at the back interface. We consider improvements in the back interface layer (BIL) through either reducing back surface recombination velocity (BSRV) or decreasing the downward band bending near the back interface. We show that when the BSRV is reduced, but strong downward band bending remains, there is no change in the device performance until the BSRV of 90% of the back interface is improved by the BIL. On the other hand, any coverage with a BIL that improves band bending results in device improvements. We use band bending, back interface recombination current densities, and voltage dependent current flow through the device to understand these improvements. The modeling shows that lateral flow of carriers greatly affects device performance, which is not captured in parallel diode modeling, and demonstrates improved understanding with 2D modeling.

2D modelling↗

NASA NTRS1975

Application of blast wave theory to explosive propulsion

An analysis was carried out by using blast wave theory to delineate the important aspects of detonating explosives in nozzles, such as flow and wave phenomena, characteristic length and time scales, and the parameters on which the specific impulse is dependent. The propulsive system utilizes the momentum of the ambient gas set into motion in the nozzle by the explosion. A somewhat simplified model was considered for the situation where the mass of ambient gas in the nozzle is much greater than the mass of gas produced in the explosion, a condition of interest for dense atmospheres, e.g., near the surface of Venus. Instantaneous detonation and energy release was presumed to occur at the apex of a conical nozzle, and the shock wave generated by the explosion was taken to propagate as a spherical wave, thereby setting the ambient gas in the nozzle into one-dimensional radially outward motion.

Back, L. H.↗

DOE OSTI2025

Development, Verification, and Validation of an OpenFOAM-Based Solver for Modeling Inertial Fusion Energy Chambers

Our work seeks to introduce a computational tool tailored to the physics of inertial fusion energy chambers, in particular, those concepts based on thick liquid walls. In this approach, the structural materials are protected by several neutron mean-free-paths of renewable liquid and thus will be able to survive much longer than un-shielded walls, with virtually all structures lasting for the life of the plant and enabling the use of commercially available and qualified materials. The OpenFOAM-based solver named rhoCentralFoam has been used as a starting point. rhoCentralFoam belongs to the standard OpenFOAM solver toolset. It is a high-speed, explicit compressible flow solver with shock-capturing capability. While the main features have been retained, the solver had to be restructured to make use of tabular data for equations of states, a necessary addition to model the complex thermo-physical properties of ionized gasses. This entailed the need to change the independent state variables used by the solver, resulting in a new thermodynamic library and slightly different solution algorithm. Moreover, a radiation heat transfer model based on the P-1 approximation was added to the solver. The solver is verified against an analytical solution from the Sedov-Taylor-Neumann test problem to showcase the ability of the hydrodynamic solvers to handle strong shocks, whereas the P-1 model was verified using a simple one-dimensional problem with an analytical solution. Additionally, a validation case involving shock-wave propagation through jet array is presented, and the results are compared with experimental data from the open literature. Lastly, in order to showcase the utility of the solver for practical cases, we applied the refined solver to two representative scenarios: gas venting within the HYLIFE-II chamber and the compression of the gas following the partial ablation of the liquid wall.

Chamber dynamics↗

NASA NTRS1982

A high-resolution model of the planetary boundary layer - Sensitivity tests and comparisons with SESAME-79 data

A one-dimensional, planetary boundary layer (PBL) model is presented and verified using April 10, 1979 SESAME data. The model contains two modules to account for two different regimes of turbulent mixing. Separate parameterizations are made for stable and unstable conditions, with a predictive slab model for surface temperature. Atmospheric variables in the surface layer are calculated with a prognostic model, with moisture included in the coupled surface/PBL modeling. Sensitivity tests are performed for factors such as moisture availability, albedo, surface roughness, and thermal capacity, and a 24 hr simulation is summarized for day and night conditions. The comparison with the SESAME data comprises three hour intervals, using a time-dependent geostrophic wind. Close correlations were found with daytime conditions, but not in nighttime thermal structure, while the turbulence was faithfully predicted. Both geostrophic flow and surface characteristics were shown to have significant effects on the model predictions

Zhang, D.↗

NASA NTRS1982

Effects of volume averaging on the line spectra of vertical velocity from multiple-Doppler radar observations

Calculations of the ratio of the true one-dimensional spectrum of vertical velocity and that measured with multiple-Doppler radar beams are presented. It was assumed that the effects of pulse volume averaging and objective analysis routines is replacement of a point measurement with a volume integral. A u and v estimate was assumed to be feasible when orthogonal radars are not available. Also, the target fluid was configured as having an infinite vertical dimension, zero vertical velocity at the top and bottom, and having homogeneous and isotropic turbulence with a Kolmogorov energy spectrum. The ratio obtained indicated that equal resolutions among radars yields a monotonically decreasing, wavenumber-dependent response function. A gain of 0.95 was demonstrated in an experimental situation with 40 levels. Possible errors introduced when using unequal resolution radars were discussed. Finally, it was found that, for some flows, the extent of attenuation depends on the number of vertical levels resolvable by the radars.

Gal-Chen, T.↗

DOE OSTI2025

A real-time distributed solid oxide electrolysis cell (SOEC) model for cyber-physical simulation

System integration and dynamic operability between SOEC and balance-of-plant (BoP) components are major technical challenges before realizing rapid load following of SOEC systems. Cyber-physical simulation (CPS) is a leading-edge digital engineering approach and is regarded as the next step beyond Digital Twins. CPS approach can be used to research SOEC system integration and develop dynamic controls prior to actual pilot testing without using a real SOEC. To seamlessly couple with BoP hardware and access non-observable operational parameters (e.g., local temperature gradient) during transients, a distributed one-dimensional (1D) real-time SOEC model was developed. Its real-time execution was demonstrated for 20 to 640 nodes at the fixed time step of 5 ms. A higher excess air ratio enabled smaller local temperature gradients on SOEC solid materials and faster transients upon current density step change from 0.15 to 0.55 A cm -2 . During the transients, the magnitude of the peak temperature gradient nearly doubled in 10 s from -3.5 to -5.9 °C cm -1 . This represents a significant operating risk that can impact the dynamic operability of SOEC systems. In addition, the local temperature gradient was found to change directions on all nodes in SOEC solid materials, with the greatest impact on the upstream nodes. The SOEC model was also tested at the thermal neutral voltage using actual process air flow parameters as variable model inputs. Variable process air temperatures were found to induce alternating local temperature gradients on SOEC solid materials. These are new operational mechanisms for SOEC degradation relevant for load following operational modes yet distinct from previous reports. To mitigate these unfavorable features, the SOEC can be operated at voltages that are slightly (±20 mV) deviated from the thermal neutral voltage. Here, the corresponding net thermal energy change was less than 1.6% of the electric power consumption. This 1D real-time SOEC model established the basis of cyber-physical simulation of SOEC hybrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Generative AI models for learning flow maps of stochastic dynamical systems in bounded domains

Simulating stochastic differential equations (SDEs) in bounded domains, presents significant computational challenges due to particle exit phenomena, which requires accurate modeling of interior stochastic dynamics and boundary interactions. Despite the success of machine learning-based methods in learning SDEs, existing learning methods are not applicable to SDEs in bounded domains because they cannot accurately capture the particle exit dynamics. We present a unified hybrid data-driven approach that combines a conditional diffusion model with an exit prediction neural network to capture both interior stochastic dynamics and boundary exit phenomena. Our ML model consists of two major components: a neural network that learns exit probabilities using binary cross-entropy loss with rigorous convergence guarantees, and a training-free diffusion model that generates state transitions for non-exiting particles using closed-form score functions. The two components are integrated through a probabilistic sampling algorithm that determines particle exit at each time step and generates appropriate state transitions. Here, the performance of the proposed approach is demonstrated via three test cases: a one-dimensional simplified problem for theoretical verification, a two-dimensional advection-diffusion problem in a bounded domain, and a three-dimensional problem of interest to magnetically confined fusion plasmas.

Bounded domains↗

DOE OSTI2025

Unraveling membrane electrode assembly design for electrochemical conversion of carbon dioxide to formate/formic acid

This work presents a one-dimensional continuum modeling approach to investigate various cell architectures used for electrochemical conversion of CO 2 to formate/formic acid. Ion transport is simulated by a system of generalized modified Poisson–Nernst–Planck (GMPNP) equations that reflect the reactive transport phenomena including steric effects as the electrolyte solutions become concentrated. In the cathode catalyst layer, ionic current contributions from both the supporting electrolyte and solid-state ionomer are considered. Voltage and CO 2 utilization breakdowns are utilized to deconvolute the impacts of the cell architecture. The origins of (bi)carbonate formation in the cathode are explored, as the subsequent decrease in CO 2 availability is a key reason for low faradaic efficiencies to formate/formic acid. In addition, the role of a supporting electrolyte (KOH) is investigated to understand its tradeoffs: while the K + ions can improve both conductivity and electrochemically active surface area in the cathode, the presence of OH − ions raises the pH and leads to deleterious formation of (bi)carbonates. To this end, we also present parametric studies on the concentration and flow rate of supplied KOH to the cell, to establish a path towards eliminating the need for a supporting electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Time-dependent-bases with local CUR decomposition method for accelerating turbulent combustion simulations

Here, this study presents a novel reduced-order modeling framework, Time-Dependent Bases with Local CUR decomposition (TDB-L-CUR), designed to efficiently and accurately approximate the species transport equations in reacting flow simulations. The method extends the existing TDB-CUR approach for chemically reacting flows (Jung et al. Comput. Methods Appl. Mech. Engrg. 437 (2025) 117758), which leverages matrix decomposition techniques to form a global-in-space, time-dependent low-dimensional manifold. While TDB-CUR performs well in homogeneous systems, it may be less well-suited to spatially heterogeneous systems such as turbulent flames, where higher-rank approximations are typically required. The proposed TDB-L-CUR framework introduces two methodological extensions to the baseline approach. First, it applies unsupervised clustering to partition the physical domain into distinct regions, enabling spatially localized manifold construction, thereby reducing the rank required for the reduced-order representation. Second, it incorporates a computational singular perturbation (CSP)-based scheme for identifying and penalizing fast species, allowing for spatio-temporally adaptive mitigation of chemical stiffness. The proposed framework is validated on a hierarchy of test cases, including a one-dimensional premixed flame, a two-dimensional nonpremixed ignition case with vortex interaction, and a three-dimensional turbulent premixed flame. TDB-L-CUR significantly improves accuracy over TDB-CUR while further reducing computational cost. The fully on-the-fly formulation of TDB-L-CUR (i.e., requiring no offline training or prior knowledge) makes it a robust and scalable tool for reduced-order modeling of reactive flows.

Local manifold↗

DOE OSTI2025

ForestFlow: predicting the Lyman-α forest clustering from linear to nonlinear scales

On large scales, the Lyman-α forest provides insights into the expansion history of the Universe, while on small scales, it imposes strict constraints on the growth history, the nature of dark matter, and the sum of neutrino masses. This work introduces ForestFlow, a novel framework that bridges the gap between large- and small-scale analyses, which have traditionally relied on distinct modeling approaches. Using conditional normalizing flows, ForestFlow predicts the two Lyman-α linear biases (b δ and b η ) and six parameters describing small-scale deviations of the three-dimensional flux power spectrum (P 3D ) from linear theory as a function of cosmology and intergalactic medium physics. These are then combined with a Boltzmann solver to make consistent predictions, from arbitrarily large scales down to the nonlinear regime, for P 3D and any other statistics derived from it. Trained on a suite of 30 fixed-and-paired cosmological hydrodynamical simulations spanning redshifts from z = 2 to 4.5, ForestFlow achieves 3 and 1.5% precision in describing P 3D and the one-dimensional flux power spectrum (P 1D ) from linear scales to k = 5 Mpc −1 and k ∥ = 4 Mpc −1 , respectively. Thanks to its conditional parameterization, ForestFlow shows similar performance for ionization histories and two ΛCDM model extensions – massive neutrinos and curvature – even though none of these are included in the training set. This framework will enable full-scale cosmological analyses of Lyman-α forest measurements from the DESI survey.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Analysis of heat transfer in a porous cooled wall with variable pressure and temperature along the coolant exit boundary

Fluid from a reservior at constant pressure and temperature is forced through a porous wall of uniform thickness. The boundary through which the fluid exits has specified variations in pressure and temperature along it in one direction so that the flow and heat transfer are two-dimensional. The local fluid and matrix temperatures are assumed to be equal and therefore a single energy equation governs the temperature distribution within the wall. The solution is obtained by transforming this energy equation into potential plane coordinates, which results in a separable equation. A technique yielding an integral equation is used to adapt the general solution so that it satisfies the variable-pressure boundary condition. Analytical expressions are given for the normal exit velocity and heat flux along the exit boundary. Illustrative examples are carried out which indicate to what extent the solution is locally one-dimensional.

Siegel, R.↗

NASA NTRS1972

Ring structure of a neutral gas cloud studied in a one-dimensional expansion into space

A one dimensional treatment of the expansion of a gas cloud of uncharged particles into vacuum is discussed. It is determined that the whole cloud does not change from continuum to free molecular flow at the same time. Some regions of the cloud make the transition sooner than others. An explanation of the ring structure observed during barium cloud experiments is presented using this conclusion. An analysis of the velocity distributions for the two kinds of flow yields a velocity distribution for the whole cloud that exhibits ring structure.

Davidson, R. E.↗

NASA NTRS1973

Measurement capabilities of a one-dimensional LDV system

The capability is investigated of a single component laser Doppler velocimeter (LDV) system for the measurement of three dimensional mean and turbulent flow statistics. Sets of general equations defining the parameters measured by a single component LDV system are derived. Solutions to the equations for different configurations of a single forward scatter LDV system show that three-dimensional mean velocity measurements can be made with a minimum restriction on the precision for detecting the Doppler frequency. Measurements of the three-dimensional cross products and correlation parameters are shown to require a significantly higher precision in the Doppler frequency detection.

Cliff, W. C.↗

NASA NTRS1973

Further discrete variable results for a panel flutter optimization problem

Numerical solutions are presented for the problem of minimum weight design of a thin one-dimensional, simply supported, solid panel in compression, with one side exposed to a parallel high supersonic air flow. The flutter speed is held fixed and a minimum thickness constraint is imposed.

Pierson, B. L.↗

NASA NTRS1975

Upgrading of AMTRAN on the datacraft DC 6024

A number of new software extensions and modifications to the AMTRAN system were completed. These modifications include input/output alterations, one-dimensional and two-dimensional array improvements, and disk storage of data enhancements. In order to promote a better understanding of the AMTRAN system software structure, a general description of the AMTRAN modules and their interrelationships was provided. A few sample statements have also been traced through the compilation and execution stages in order to illustrate the flow of system logic. In addition, the previous documentation was updated to reflect these modifications.

Beasley, P. E.↗

NASA NTRS1978

Interaction between step fuel injectors on opposite walls in a supersonic combustor model

Results are presented from an experimental investigation of perpendicular, hydrogen fuel injection and combustion from opposing walls in a scramjet combustor model using a longitudinally staged laterally inline step-injection configuration. The model represents a portion of the flow in the Langley integrated modular scramjet engine combustor operating at a flight Mach number of 7. When operating at a ratio of jet pressure to free-stream dynamic pressure of 3, the injectors produce a bulk equivalence ratio of unity. This investigation represents part of a continuing study of the modular engine fuel injectors and is specifically designed to eliminate the adverse lateral pressure gradient observed at the injector location in a previous test. Flow survey contours at three axial locations, ranging from one-third of the engine combustor length to the total engine combustor length, are used to determine mixing efficiency and fuel distribution. Wall static pressures are analyzed by using one-dimensional theory to determine the combustion efficiency. Results show a significant improvement over previous injector designs tested in this duct geometry.

Mcclinton, C. R.↗

NASA NTRS1979

Two-dimensional, time-dependent MHD description of interplanetary disturbances Simulation of high speed solar wind interactions

A two-dimensional, time-dependent nonlinear MHD model is used to simulate the general features of multiply-interacting, transient solar wind flows. The major advantage of the two-dimensional model over the one-dimensional one is the proper consideration of azimuthal gradients. In addition, the new model can provide contour maps for disturbed plasma properties in the equatorial plane, thereby enabling one to perform essential tests of the physical assumptions through direct comparison with space probe data.

Wu, S. T.↗

NASA NTRS1979

Recent progress in finite-volume calculations for wing-fuselage combinations

Progress in the application of finite-volume methods to the calculation of transonic potential flows past general wing-body combinations is reviewed. Two different methods of generating boundary-conforming grids are investigated, and the results compared to provide an estimate of solution sensitivity to grid geometry. Both conservative and quasi-conservative difference schemes are used in one of the coordinate systems. Results show that the error introduced by the quasi-conservative formulation seems to be small, although a one-dimensional analysis suggests that schemes of this type do not necessarily produce mass-conserving shocks. Comparison of calculated results with experimental data for realistic fuselage geometries clearly shows the importance of modelling the effect of fuselage geometry upon the wing pressure distribution.

Caughey, D. A.↗