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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Implementation of natural frequency analysis and optimality criterion design

A description is presented of an effective optimality criterion computer design approach for member size selection to improve frequency characteristics for moderately large structure models. It is shown that the implementation of the simultaneous iteration method within a natural frequency structural design optimization provides a method which is more efficient in isolating the lowest natural frequency modes than the frequently applied Stodola method. Additional computational advantages are derived by using previously converged eigenvectors at the start of the iterations during the second and the following design cycles. Vectors with random components can be used at the first design cycle, which, in relation to the entire computer time for the design program, results in only a moderate computational penalty.

Levy, R.↗
DOE OSTI2025

Optimizing processing conditions for additively reinforced thermoforming (ART) in convergent manufacturing

This study utilized additively reinforced thermoforming (ART) to enhance the thermomechanical properties of polyethylene terephthalate glycol (PETG) sheet. ART materials were produced by overprinting PETG/carbon fiber filament (PETG/CF) on neat PETG sheets at varying conditions. The mechanical properties of the PETG sheet, PETG/CF, and ART materials were assessed, showing that ART exhibited superior tensile strength and modulus of elasticity. The tensile strength and modulus in the x-direction for ART at 265°C were 57.32 ± 2.9 MPa and 3.41 ± 0.4 GPa, respectively, compared to 49.1 ± 0.5 MPa and 1.92 ± 0.09 GPa for neat PETG. Microstructural analysis revealed strong interfacial adhesion between layers, while thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and heat deflection temperature analysis provided insights into the ART material's thermoforming behavior, aiding design optimization for enhanced stiffness, reduced necking, and improved customization. In conclusion, this information can be used to design for the thermoforming operation.

Additive reinforcement↗
NASA NTRSDate not supplied

Analysis of MSL/MEDLI Entry Data with Coupled CFD and Material Response

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on OpenFOAM (PATO) [4,5,6] using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA [7], is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Thermal Protection Systems↗
NASA NTRS2001

Interfacial Stability of Converging Plasma Jets for Magnetized Target Fusion

The merging of a spherical distribution of plasma jets to dynamically form a gaseous liner has been proposed for use in magnetized target fusion propulsion. In this paper, a study is made of the interfacial stability of the interaction of these jets. Specifically, the Orr-Sommerfeld equation is integrated to obtain the growth rate of a perturbation to the primary flow at the interface between the colliding jets. The analysis lead to an estimate on the tolerances on the relative flow velocities of the merging plasma jets to form a stable, imploding liner. The results show that during the merging of the jets to form a liner and before contact with the target plasma the growth of the perturbed flow at the jet interface is not likely to destabilize the liner. These data suggest that, as far as the stability of the interface between the merging jets is concerned, the formation of liner can withstand velocity variation up to 50% between the neighboring jets over the density and temperature ranges investigated.

Cassibry, J. T.↗
DOE OSTI2025

Modeling the Behavior of Complex Aqueous Electrolytes Using Machine Learning Interatomic Potentials: The Case of Sodium Sulfate

Understanding the structure and thermodynamics of solvated ions is essential for advancing applications in electrochemistry, water treatment, and energy storage. While ab initio molecular dynamics methods are highly accurate, they are limited by short accessible time and length scales whereas classical force fields struggle with accuracy. Herein, we explore the structure and thermodynamics of complex monovalent-divalent ion pairs using Na 2 SO 4 (aq) as a case study by applying a machine learning interatomic potential (MLIP) trained on density functional theory (DFT) data. Our MLIP-based approach reproduces key bulk properties such as density and radial distribution functions of water. We provide the hydration structure of the sodium and sulfate ions in the 0.1–2 M concentration range and the one-dimensional and two-dimensional potentials of mean force for the sodium–sulfate ion pairing at the low concentration limit (0.1 M), which are inaccessible to DFT. At low concentrations, the sulfate ion is strongly solvated, leading to the stabilization of solvent-separated ion pairs over contact ion pairs. Minimum energy pathway analysis revealed that coordinating two sodium ions with a sulfate ion is a multistep process whereby the sodium ions coordinate to the sulfate ion sequentially. Finally, we demonstrate that MLIPs allow the study of solvated ions beyond simple monovalent pairs with DFT-level accuracy in their low concentration limit (0.1 M) via statistically converged properties from ns-long simulations.

anions↗
DOE OSTI2026

Nanosecond Structure of Radical Pair Intermediates from High-Frequency Quantum Oscillations: Insight into the Q A •– to Q B Electron Transfer Step in Purple Bacterial Photosynthesis

We demonstrate the validity of our approach to deduce, from the anisotropy of quantum oscillations, the geometry of short-lived radical pair intermediates in photosynthesis. A global fit of a two-dimensional W-band (94 GHz) electron paramagnetic resonance (EPR) experiment provides the same global minimum values for the geometry of the A-side radical pair P 700 •+ A 1A •− in photosystem I (PSI) as observed in a previous Q-band (34 GHz) EPR study, yet with a significantly increased convergence rate of 62%. This demonstrates that the global fit yields the correct radical pair geometry even at Q-band frequencies. With this information, we revisit our previous Q-band study of the cofactor arrangement of P 865 •+ Q A •− , the stabilized charge-separated state in purple bacterial reaction centers (RCs). Analysis of calculated two-dimensional data sets of P 865 •+ Q A •− reveals that the quantum oscillation technique is unaffected by a mirror ambiguity in disordered solids and thus can provide unambiguous solutions for all five Euler angles of the radical pair geometry. This enables us to elucidate the Q A •− to Q B electron transfer step in purple bacterial photosynthesis, the subject of controversial discussions for more than 25 years. Our results show that this electron transfer step involves a gating mechanism requiring a 60° rotation of the headgroup of Q A •− in its binding pocket.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Large-Angle Rocking Beam Electron Diffraction of Large Unit Cell Crystals Using Direct Electron Detector

We report a large-angle rocking beam electron diffraction (LARBED) technique for electron diffraction analysis. Diffraction patterns are recorded in a scanning transmission electron microscope (STEM) using a direct electron detector with large dynamical range and fast readout. We use a nanobeam for diffraction and perform the beam double rocking by synchronizing the detector with the STEM scan coils for the recording. Using this approach, large-angle convergent beam electron diffraction (LACBED) patterns of different reflections are obtained simultaneously. By using a nanobeam, instead of a focused beam, the LARBED technique can be applied to beam-sensitive crystals as well as crystals with large unit cells. Here, this paper describes the implementation of LARBED and evaluates the performance using silicon and gadolinium gallium garnet crystals as test samples. We demonstrate that our method provides an effective and robust way for recording LARBED patterns and paves the way for quantitative electron diffraction of large unit cell and beam-sensitive crystals.

4DSTEM↗
NASA NTRS1981

Transonic flow computations in cascades using finite element method

Analysis of transonic flow through a cascade of airfoils is investigated using the finite element method. Development of a computational grid suitable for complex flow structures and different types of boundary conditions is presented. An efficient pseudo-time integration scheme is developed for the solution of equations. Modeling of the shock and the convergence characteristics of the developed scheme are discussed. Numerical results include a 45 deg staggered cascade of NACA 0012 airfoils with inlet flow Mach number of 0.8 and angles of attack 1, 0, and 1 deg.

Akay, H. U.↗
NASA NTRS1987

Transient response for interaction of two dynamic bodies

During the launch sequence of any space vehicle complicated boundary interactions occur between the vehicle and the launch stand. At the start of the sequence large forces exist between the two; contact is then broken in a short but finite time which depends on the release mechanism. The resulting vehicle response produces loads which are very high and often form the design case. It is known that the treatment of the launch pad as a second dynamic body is significant for an accurate prediction of launch response. A technique was developed for obtaining loads generated by the launch transient with the effect of pad dynamics included. The method solves uncoupled vehicle and pad equations of motion. The use of uncoupled models allows the simulation of vehicle launch in a single computer run. Modal formulation allows a closed-form solution to be written, eliminating any need for a numerical integration algorithm. When the vehicle is on the pad the uncoupled pad and vehicle equations have to be modified to account for the constraints they impose on each other. This necessitates the use of an iterative procedure to converge to a solution, using Lagrange multipliers to apply the required constraints. As the vehicle lifts off the pad the coupling between the vehicle and the pad is eliminated point by point until the vehicle flies free. Results obtained by this method were shown to be in good agreement with observed loads and other analysis methods. The resulting computer program is general, and was used without modification to solve a variety of contact problems.

Prabhakar, A.↗
NASA NTRS1993

Moist wind relationships

Equations describing the temporal and spatial behavior of the kinematic moisture and heat flux are introduced. In these nonlinear equations, the contribution by diabatic processes to the large-scale flux is composed of two parts. One part is associated with a Rayleigh damping term, while the other arises from temporal and spatial changes in the pressure gradient term. The influence of diabatic processes on the large-scale moisture fluxes depends greatly on the degree of balance between forcing and damping terms in the governing equations. The existence of a near balance requires a reduction in the large-scale horizontal geostrophic wind speed. From a scale analysis of the moisture flux equations it is argued that reductions in the large-scale horizontal wind speed, observed within major cumulus cloud systems, help conserve large-scale moisture fluxes. The deviation of the wind from geostrophic conditions is easily estimated. This wind modification induces secondary vertical circulations that contribute to the convergence, creating or supporting long-lived mesoscale flows. In the tropics the wind modification has an antitriptic relationship. These diagnostic findings suggest possible modifications to the wind field in the application of cumulus parameterization, and may be important in diabatic initialization of numerical weather prediction models.

Raymond, William H.↗
NASA NTRS1992

Flow analysis and design optimization methods for nozzle-afterbody of a hypersonic vehicle

This report summarizes the methods developed for the aerodynamic analysis and the shape optimization of the nozzle-afterbody section of a hypersonic vehicle. Initially, exhaust gases were assumed to be air. Internal-external flows around a single scramjet module were analyzed by solving the 3D Navier-Stokes equations. Then, exhaust gases were simulated by a cold mixture of Freon and Ar. Two different models were used to compute these multispecies flows as they mixed with the hypersonic airflow. Surface and off-surface properties were successfully compared with the experimental data. The Aerodynamic Design Optimization with Sensitivity analysis was then developed. Pre- and postoptimization sensitivity coefficients were derived and used in this quasi-analytical method. These coefficients were also used to predict inexpensively the flow field around a changed shape when the flow field of an unchanged shape was given. Starting with totally arbitrary initial afterbody shapes, independent computations were converged to the same optimum shape, which rendered the maximum axial thrust.

Baysal, O.↗
NASA NTRS2016

FUN3D Analyses in Support of the Second Aeroelastic Prediction Workshop

This paper presents the computational aeroelastic results generated in support of the second Aeroelastic Prediction Workshop for the Benchmark Supercritical Wing (BSCW) configurations and compares them to the experimental data. The computational results are obtained using FUN3D, an unstructured grid Reynolds- Averaged Navier-Stokes solver developed at NASA Langley Research Center. The analysis results include aerodynamic coefficients and surface pressures obtained for steady-state, static aeroelastic equilibrium, and unsteady flow due to a pitching wing or flutter prediction. Frequency response functions of the pressure coefficients with respect to the angular displacement are computed and compared with the experimental data. The effects of spatial and temporal convergence on the computational results are examined.

Chwalowski, Pawel↗
DOE OSTI2024

Average Incremental Cost Pricing for the AC Unit Commitment Problem [Rev. 1]

Unit Commitment (UC) problems that consider the Alternating Current (AC) model of the transmission network have long been considered intractable to solve at scale by the power system community. Recently, the Grid-Optimization (GO) Competition held by the Advanced Research Project Agency-Energy (ARPA-E) has facilitated the development of the first algorithms to solve large-scale ACUC problems. This new capability opens a path towards the explicit consideration of the AC transmission network model in UC problems used to clear day-ahead electricity markets. This calls for the analysis of electricity market structures that accommodate both the continuous non-linearity of the AC transmission network and the discrete non-linearity of the UC problem simultaneously. This paper serves as an initial effort to do so by proposing an Average Incremental Cost (AIC) pricing structure that is designed around the ACUC problem. In particular, an AIC one-pass pricing problem is proposed that represents a continuously constrained variant of the ACUC problem and allows for the computation of Locational Incremental Prices (LIPs) for both real and reactive power as the local optimal Lagrange multipliers of the power balance constraints. To avoid degeneracy, the pricing problem includes a small parameter ϵ > 0. Under certain assumptions market participants are shown to realize profit that converges to a non-negative value as ϵ approaches zero, practically ensuring profitability for small values of ϵ. We additionally provide many simple and important examples that provide intuition and insights into the proposed prices. Examples illustrate the basic concept of AIC pricing, the derived profitability results, the existence of multiple LIPs, the importance of including reactive power in the dispatch and pricing problems, the need for reactive power prices, and the improved incentives exhibited by LIPs as compared to traditional Locational Marginal Prices (LMPs). We additionally indicate many directions for future work including analysis of larger test cases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Ab-Initio Investigation of Finite Size Effects in Rutile Titania Nanoparticles with Semilocal and Nonlocal Density Functionals

In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and electronic gap of rutile titania nanoparticles with particle size. The surface energies and electronic gaps are calculated for cuboidal particles with minimum dimension ranging from 3.7 Angstrom (24 atoms) to 10.3 Angstrom (384 atoms) using a highly-parallel real-space DFT code to enable hybrid level DFT calculations of larger nanoparticles than are typically practical. We deconvolute the geometric and electronic finite size effects in surface energy, and evaluate the influence of defects on electronic gap and density of states (DOS). The electronic finite size effects in surface energy vanish when the minimum length scale of the nanoparticles becomes greater than 10 Angstrom. We show that this length scale is consistent with a computationally efficient numerical analysis of the characteristic length scale of electronic interactions. The surface energy of nanoparticles having minimum dimension beyond this characteristic length can be approximated using slab calculations that account for the geometric defects. In contrast, the finite size effects on the electronic gap and DOS is highly dependent on the shape and size of these particles. Furthermore, the DOS for cuboidal particles and more realistic particles constructed using the Wulff algorithm reveal that defect states within the electronic gap play a key role in determining the eigen value distribution of nanoparticles and the electronic gap does not converge to the bulk limit for the particle sizes investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Analytical and experimental investigation of stator endwall contouring in a small axial-flow turbine. 1: Stator performance

Three stator configurations were studied to determine the effect of stator outer endwall contouring on stator performance. One configuration was a cylindrical stator design. One contoured stator configuration had an S-shaped outer endwall, the other had a conical-convergent outer endwall. The experimental investigation consisted of annular surveys of stator exit total pressure and flow angle for each stator configuration over a range of stator pressure ratio. Radial variations in stator loss and aftermixed flow conditions were obtained when these data were compared with the analytical results to assess the validity of the analysis, good agreement was found.

Haas, J. E.↗
NASA NTRS1985

Vectorizable multigrid algorithms for transonic flow calculations

The analysis and incorporation into a multigrid scheme of several vectorizable algorithms are discussed. Von Neumann analyses of vertical line, horizontal line, and alternating direction ZEBRA algorithms were performed; and the results were used to predict their multigrid damping rates. The algorithms were then successfully implemented in a transonic conservative full-potential computer program. The convergence acceleration effect of multiple grids is shown and the convergence rates of the vectorizable algorithms are compared to the convergence rates of standard successive line overrelaxation (SLOR) algorithms.

Melson, N. D.↗
NASA NTRS1986

Solution of elliptic PDEs by fast Poisson solvers using a local relaxation factor

A large class of two- and three-dimensional, nonseparable elliptic partial differential equations (PDEs) is presently solved by means of novel one-step (D'Yakanov-Gunn) and two-step (accelerated one-step) iterative procedures, using a local, discrete Fourier analysis. In addition to being easily implemented and applicable to a variety of boundary conditions, these procedures are found to be computationally efficient on the basis of the results of numerical comparison with other established methods, which lack the present one's: (1) insensitivity to grid cell size and aspect ratio, and (2) ease of convergence rate estimation by means of the coefficient of the PDE being solved. The two-step procedure is numerically demonstrated to outperform the one-step procedure in the case of PDEs with variable coefficients.

Chang, Sin-Chung↗
NASA NTRS1990

A coordination theory for intelligent machines

A formal model for the coordination level of intelligent machines is established. The framework of the coordination level investigated consists of one dispatcher and a number of coordinators. The model called coordination structure has been used to describe analytically the information structure and information flow for the coordination activities in the coordination level. Specifically, the coordination structure offers a formalism to (1) describe the task translation of the dispatcher and coordinators; (2) represent the individual process within the dispatcher and coordinators; (3) specify the cooperation and connection among the dispatcher and coordinators; (4) perform the process analysis and evaluation; and (5) provide a control and communication mechanism for the real-time monitor or simulation of the coordination process. A simple procedure for the task scheduling in the coordination structure is presented. The task translation is achieved by a stochastic learning algorithm. The learning process is measured with entropy and its convergence is guaranteed. Finally, a case study of the coordination structure with three coordinators and one dispatcher for a simple intelligent manipulator system illustrates the proposed model and the simulation of the task processes performed on the model verifies the soundness of the theory.

Wang, Fei-Yue↗