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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Concurrent Probabilistic Simulation of High Temperature Composite Structural Response

A computational structural/material analysis and design tool which would meet industry's future demand for expedience and reduced cost is presented. This unique software 'GENOA' is dedicated to parallel and high speed analysis to perform probabilistic evaluation of high temperature composite response of aerospace systems. The development is based on detailed integration and modification of diverse fields of specialized analysis techniques and mathematical models to combine their latest innovative capabilities into a commercially viable software package. The technique is specifically designed to exploit the availability of processors to perform computationally intense probabilistic analysis assessing uncertainties in structural reliability analysis and composite micromechanics. The primary objectives which were achieved in performing the development were: (1) Utilization of the power of parallel processing and static/dynamic load balancing optimization to make the complex simulation of structure, material and processing of high temperature composite affordable; (2) Computational integration and synchronization of probabilistic mathematics, structural/material mechanics and parallel computing; (3) Implementation of an innovative multi-level domain decomposition technique to identify the inherent parallelism, and increasing convergence rates through high- and low-level processor assignment; (4) Creating the framework for Portable Paralleled architecture for the machine independent Multi Instruction Multi Data, (MIMD), Single Instruction Multi Data (SIMD), hybrid and distributed workstation type of computers; and (5) Market evaluation. The results of Phase-2 effort provides a good basis for continuation and warrants Phase-3 government, and industry partnership.

Abdi, Frank↗
NASA NTRS2013

Constraining Cometary Crystal Shapes from IR Spectral Features

A major challenge in deriving the silicate mineralogy of comets is ascertaining how the anisotropic nature of forsterite crystals affects the spectral features' wavelength, relative intensity, and asymmetry. Forsterite features are identified in cometary comae near 10, 11.05-11.2, 16, 19, 23.5, 27.5 and 33 microns [1-10], so accurate models for forsterite's absorption efficiency (Qabs) are a primary requirement to compute IR spectral energy distributions (SEDs, lambdaF lambda vs. lambda) and constrain the silicate mineralogy of comets. Forsterite is an anisotropic crystal, with three crystallographic axes with distinct indices of refraction for the a-, b-, and c-axis. The shape of a forsterite crystal significantly affects its spectral features [13-16]. We need models that account for crystal shape. The IR absorption efficiencies of forsterite are computed using the discrete dipole approximation (DDA) code DDSCAT [11,12]. Starting from a fiducial crystal shape of a cube, we systematically elongate/reduce one of the crystallographic axes. Also, we elongate/reduce one axis while the lengths of the other two axes are slightly asymmetric (0.8:1.2). The most significant grain shape characteristic that affects the crystalline spectral features is the relative lengths of the crystallographic axes. The second significant grain shape characteristic is breaking the symmetry of all three axes [17]. Synthetic spectral energy distributions using seven crystal shape classes [17] are fit to the observed SED of comet C/1995 O1 (Hale-Bopp). The Hale-Bopp crystalline residual better matches equant, b-platelets, c-platelets, and b-columns spectral shape classes, while a-platelets, a-columns and c-columns worsen the spectral fits. Forsterite condensation and partial evaporation experiments demonstrate that environmental temperature and grain shape are connected [18-20]. Thus, grain shape is a potential probe for protoplanetary disk temperatures where the cometary crystalline forsterite formed. The forsterite crystal shapes (equant, b-platelets, c-platelets, b-columns - excluding a- and c-columns) derived from our modeling [17] of comet Hale- Bopp, compared to laboratory synthesis experiments [18], suggests that these crystals are high temperature condensates. By observing and modeling the crystalline features in comet ISON, we may constrain forsterite crystal shape(s) and link to their formation temperature(s) and environment(s).

anisotropic crystal↗
DOE OSTI2024

Distribution Integration Solution Cost Options (DISCO) [Slides]

DISCO is a Python-based NREL software tool for conducting scalable, repeatable distribution analyses. Although DISCO was originally developed to support photovoltaic impact analyses, it can also be used to understand the impact of other distributed energy resources and load changes on distribution systems. This presentation took place on April 9, 2024, and included NREL power grid researchers Sherin Ann Abraham and Shibani Ghosh.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1980

Continuous analysis of stresses from arbitrary surface loads on a half space

A new form of elemental surface load on a half space is introduced, presuming a quasi-pyramidal variation of load which is doubly linear in each of four rectangular parts of a surface rectangle. Approximations of arbitrary load distributions by sums of such elements are continuous, piecewise linear in two directions and well adaptable. The loads may be normal or tangential. The explicit solutions obtained for all stress and displacement components due to each elemental load involve only elementary functions, are free of the discontinuities which arise with stepwise elements, and are suitable for computing. Some illustrative stress distributions are presented for elemental loads and for multiple pyramidal loads involving both normal and tangential loads. The value of the load continuity in the more complicated analyses of surface cracks is also illustrated.

Bell, J. C.↗
NASA NTRS1994

Dynamic Load Balancing for Computational Plasticity on Parallel Computers

The simulation of the computational plasticity on a complex structure remains a formidable computational task, especially when a highly nonlinear, complex material model was used. It appears that the computational requirements for a such problem can only be satisfied by massively parallel architectures. In order to effectively harness the tremendous computational power provided by such architectures, it is imperative to investigate and to study the algorithmic and implementation issues pertaining to dynamic load balancing for computational plasticity on a highly parallel, distributed-memory, multiple-instruction, multiple-data computers. This paper will measure the effectiveness of the algorithms developed in handling the dynamic load balancing.

Pramono, Eddy↗
DOE OSTI2025

CFD modeling of natural circulation in LiCl-KCl molten salt closed loop

Characterizing flow within a molten salt closed-loop system is crucial for assessing system requirements, evaluating performance, and identifying potential flaws. Direct flow measurement using instrumentation is challenging due to extreme environmental conditions and the limitations associated with measuring molten salt flow under natural convection. Here, this study aims to provide comprehensive insights into the thermal-hydraulic behavior of a closed loop, with a particular focus on temperature distribution and velocity prediction. The Computational Fluid Dynamics (CFD) model demonstrated the capability to effectively simulate and predict both temperature distributions and flow velocities within the molten salt loop. The CFD model's predictive capability was validated by its ability to replicate temperature measurements under varying boundary conditions. The analysis revealed that the CFD model tends to underpredict temperatures in the cold leg and overpredict them in the hot leg, highlighting the need for continuous model refinement and acknowledging the limitations of using a steady-state approach. Furthermore, the potential of using external temperature measurements to estimate internal molten salt temperatures and predict flow velocity was explored, revealing that this approach could introduce up to a 5.5% error in flow velocity calculations. Line probes mapping temperature distributions across the tube's cross-section and molten salt provided valuable insights into temperature gradients, emphasizing the need for a thermal conductivity equation for molten salt with lower uncertainty to achieve more accurate temperature predictions of the system.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Orthorhombic Structures as Inorganic Halide Perovskite Models for High-Throughput DFT Investigations

Although high-symmetry Pm-3m space group cubic models are computationally efficient for high-throughput density functional theory (DFT) calculations of inorganic ternary (ABX 3 ) halide perovskites (HPs), they frequently predict band gaps (E g ) that disagree with experiment. Conversely, while low-symmetry cubic polymorphous networks (PN) comprised of 160 to 320 atoms incur significantly greater computational cost, they predict E g ’s that are more closely aligned with experiment. Here, in this study, we compare the DFT total energies and E g ’s predicted by four high-symmetry structure models (Pnma orthorhombic, R3m trigonal, P4/mbm tetragonal, and Pm-3m cubic) to cubic PNs for 5 experimentally characterized ternary HPs and find that the orthorhombic model computes Eg’s with the smallest MAD of 0.23 eV relative to the PNs. Pair distribution functions and DFT-computed total energies show that octahedral tilting, which is present in the 20-atom orthorhombic and 160-atom cubic PN models but not in the 5-atom cubic models, stabilizes all 5 compositions in our benchmarking set. We also find that imposing PN constraints when generating and optimizing these orthorhombic structures by fixing the unit cell lattice vectors and displacing the atoms prior to ionic relaxation with DFT, which we call the orthorhombic surrogate model (OSM), lowers the MAD of E g predictions to 0.09 eV. Our OSM predicts the PN band gaps of an additional 95 theoretical inorganic ternary HPs with MAD of 0.08 eV, supporting its usage in high-throughput DFT investigations to closely estimate PN band gaps with much less computational expense.

14 SOLAR ENERGY↗
NASA NTRS2006

Static and Dynamic Model Update of an Inflatable/Rigidizable Torus Structure

The present work addresses the development of an experimental and computational procedure for validating finite element models. A torus structure, part of an inflatable/rigidizable Hexapod, is used to demonstrate the approach. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with optimization is used to modify key model parameters. Static test results are used to update stiffness parameters and dynamic test results are used to update the mass distribution. Updated parameters are computed using gradient and non-gradient based optimization algorithms. Results show significant improvements in model predictions after parameters are updated. Lessons learned in the areas of test procedures, modeling approaches, and uncertainties quantification are presented.

Horta, Lucas G.↗
NASA NTRS2016

Real-Time Safety Monitoring and Prediction for the National Airspace System

As new operational paradigms and additional aircraft are being introduced into the National Airspace System (NAS), maintaining safety in such a rapidly growing environment becomes more challenging. It is therefore desirable to have both an overview of the current safety of the airspace at different levels of granularity, as well an understanding of how the state of the safety will evolve into the future given the anticipated flight plans, weather forecasts, predicted health of assets in the airspace, and so on. To this end, we have developed a Real-Time Safety Monitoring (RTSM) that first, estimates the state of the NAS using the dynamic models. Then, given the state estimate and a probability distribution of future inputs to the NAS, the framework predicts the evolution of the NAS, i.e., the future state, and analyzes these future states to predict the occurrence of unsafe events. The entire probability distribution of airspace safety metrics is computed, not just point estimates, without significant assumptions regarding the distribution type and or parameters. We demonstrate our overall approach by predicting the occurrence of some unsafe events and show how these predictions evolve in time as flight operations progress.

National Airspace System↗
NASA NTRS1999

Effects of Buoyancy in Hydrogen Jet Diffusion Flames

This project was carried out to understand the effects of heat release and buoyancy on the flame structure of diffusion flames. Experiments were conducted at atmospheric pressure in both normal gravity and microgravity conditions in the NASA LeRC 2.2 s drop tower. Experiments were also conducted in a variable pressure combustion facility in normal gravity to scale buoyancy and thus, to supplement the drop tower experiments. Pure H2 or H2 mixed with He was used as the jet fluid to avoid the complexities associated with soot formation. Fuel jet burning in quiescent air was visualized and quantified by the Rainbow Schlieren Deflectometry (RSD) to obtain scalar profiles (temperature, oxygen concentration) within the flame. Burner tube diameter (d) was varied from 0.3 to 1.19 mm producing jet exit Reynolds numbers ranging from 40 to 1900, and generating flames encompassing laminar and transitional (laminar to turbulent) flow structure. Some experiments were also complemented with the CFD analysis. In a previous paper, we have presented details of the RSD technique, comparison of computed and measured scalar distributions, and effects of buoyancy on laminar and transitional H2 gas-jet diffusion flames. Results obtained from the RSD technique, variable pressure combustion chamber, and theoretical models have been published. Subsequently, we have developed a new drop rig with improved optical and image acquisition. In this set up, the schlieren images are acquired in real time and stored digitally in RAM of an onboard computer. This paper deals with laminar diffusion flames of pure H2 in normal and microgravity.

Agrawal, A. K.↗
NASA NTRS1984

Development of a thermal and structural model for a NASTRAN finite-element analysis of a hypersonic wing test structure

The development of a thermal and structural model for a hypersonic wing test structure using the NASTRAN finite-element method as its primary analytical tool is described. A detailed analysis was defined to obtain the temperature and thermal stress distribution in the whole wing as well as the five upper and lower root panels. During the development of the models, it was found that the thermal application of NASTRAN and the VIEW program, used for the generation of the radiation exchange coefficients, were definicent. Although for most of these deficiencies solutions could be found, the existence of one particular deficiency in the current thermal model prevented the final computation of the temperature distributions. A SPAR analysis of a single bay of the wing, using data converted from the original NASTRAN model, indicates that local temperature-time distributions can be obtained with good agreement with the test data. The conversion of the NASTRAN thermal model into a SPAR model is recommended to meet the immediate goal of obtaining an accurate thermal stress distribution.

Lameris, J.↗
NASA NTRS1992

An installed nacelle design code using a multiblock Euler solver. Volume 1: Theory document

An efficient multiblock Euler design code was developed for designing a nacelle installed on geometrically complex airplane configurations. This approach employed a design driver based on a direct iterative surface curvature method developed at LaRC. A general multiblock Euler flow solver was used for computing flow around complex geometries. The flow solver used a finite-volume formulation with explicit time-stepping to solve the Euler Equations. It used a multiblock version of the multigrid method to accelerate the convergence of the calculations. The design driver successively updated the surface geometry to reduce the difference between the computed and target pressure distributions. In the flow solver, the change in surface geometry was simulated by applying surface transpiration boundary conditions to avoid repeated grid generation during design iterations. Smoothness of the designed surface was ensured by alternate application of streamwise and circumferential smoothings. The capability and efficiency of the code was demonstrated through the design of both an isolated nacelle and an installed nacelle at various flow conditions. Information on the execution of the computer program is provided in volume 2.

Chen, H. C.↗
NASA NTRS1984

A computational study of complex three-dimensional compressible turbulent flow fields

Solutions of the time dependent, Reynolds-averaged, Navier-Stokes equations are presented and are compared with a family of experimental results for the three-dimensional interaction of a shock wave with a turbulent boundary layer. The solutions correctly predict the major features of the flow field independent of the shock strength and the extent of separation when using a two-equation turbulence model with wall functions. The experimentally observed boundary between cylindrical and conical flow regimes is also predicted. However, for the flow fields with large separated zones, the details of the measured pressure distributions are not accurately computed, which indicates a need for improved turbulence modeling and/or grid resolution.

Horstman, C. C.↗
NASA NTRS1988

Ocean alkalinity and the Cretaceous/Tertiary boundary

A biogeochemical cycle model resolving ocean carbon and alkalinity content is applied to the Maestrichtian and Danian. The model computes oceanic concentrations and distributions of Ca(2+), Mg(2+), and Sigma-CO2. From these values an atmospheric pCO2 value is calculated, which is used to estimate rates of terrestrial weathering of calcite, dolomite, and calcium and magnesium silicates. Metamorphism of carbonate rocks and the subsequent outgassing of CO2 to the atmosphere are parameterized in terms of carbonate rock reservoir sizes, total land area, and a measure of overall tectonic activity, the sea-floor generation rate. The ocean carbon reservoir computed by the model is used with Deep Sea Drilling Project (DSDP) C-13 data to estimate organic detrital fluxes under a variety of ocean mixing rate assumptions. Using Redfield ratios, the biogenic detrital flux estimate is used to partition the ocean carbon and alkalinity reservoirs between the mixed layer and deep ocean. The calcite flux estimate and carbonate ion concentrations are used to determine the rate of biologically mediated CaCO3 titration. Oceanic productivity was severely limited for approximately 500 kyr following the K/T boundary resulting in significant increases in total ocean alkalinity. As productivity returned to the ocean, excess carbon and alkalinity was removed from the ocean as CaCO3. Model runs indicate that this resulted in a transient imbalance in the other direction. Ocean chemistry returned to near-equilibrium by about 64 mybp.

Caldeira, K. G.↗
NASA NTRS1990

Transonic Navier-Stokes solutions about a complex high-speed accelerator configuration

Three-dimensional transonic viscous flow computations are presented for a generic high-speed accelerator model which includes wing, body, fillets, and a no-flow through engine nacelle. Solutions are obtained from an algorithm for the compressible Navier-Stokes equations which incorporates an upwind-biased, flux-vector-splitting approach along with longitudinally-patched grids. Results are presented for fully turbulent flow assumptions and include correlations with wind tunnel data. A good quantitative agreement for the forebody surface pressure distribution is achieved between computations and the available wind-tunnel measurements at freestream Mach number equal to 0.9. Furthermore, it is demonstrated that the flow is stagnating around the boattail region due to separation from the aft-engine cowl lip.

Ghaffari, Farhad↗
NASA NTRS1991

Transonic Navier-Stokes solutions about a generic hypersonic configuration

Three-dimensional transonic viscous flow computations are presented for a generic high-speed accelerator model that includes wing, body, fillets, and a no-flow-through engine nacelle. Solutions are obtained from an algorithm for the compressible Navier-Stokes equations that incorporates an upwind-biased, flux-vector-splitting approach along with longitudinally patched grids. Results are presented for fully turbulent flow assumptions and include correlations with wind-tunnel data. A good quantitative agreement for the forebody surface pressure distribution is achieved between computations and the available wind-tunnel measurements at M∞ = 0.9. Furthermore, it is demonstrated that the flow is stagnating around the boattail region due to separation from the aft-engine cowl lip.

Hypersonic flows↗
NASA NTRS1991

Transonic Navier-Stokes Solutions about a Complex High-Speed Accelerator Configuration

Three dimensional transonic viscous flow computations are presented for a generic high-speed accelerator model which includes wing, body, filets,and a no-flow through engine nacelle. solutions are obtained from an algorithm for the compressible Navier-Stokes equations which incorporated an upwind-biased, flux-vector-splitting approach along with longitudinally-patched grids. Results are presented for fully turbulent flow assumptions and include correlations with wind tunnel data. A good quantitative agreement for the forebody surface pressure distribution is achieved between computations and the available wind-tunnel measurements at M(sub infinity) = 0.9. Furthermore, it is demonstrated that the flow is stagnating around the boattail region due to separation from the aft-engine cowl lip.

Ghaffari, F.↗
DOE OSTI2024

Quantum Computing for Energy-Related Applications

Growing interest in quantum computing and simulations have created opportunities for its deployment to improve processes pertaining to energy production, distribution, and consumption. While quantum computing is considered as a paradigm shift in our basic understanding of physical computation, effective implementation of quantum computing in energy applications also depends on progress and development in the dimensions of both quantum computing hardware and quantum computing algorithms. To fully address the status and future challenges of quantum information science (QIS) applied within the energy sector, in this presentation, we firstly summarize recent advancements on the applications of quantum computing to energy infrastructure and materials, complex energy system processes, advanced manufacturing, and energy system security. Then, we will demonstrate the results of quantum computing both on a simulator and a quantum device accessing from OLCF. Our first example is to use the variational quantum eigensolver (VQE) with a unitary coupled cluster with singles and doubles (UCCSD) ansatz to simulate a series of LixHyq molecules (q=-1, 0, +1). The obtained results showed that the quantum computing VQE-UCCSD is comparable to classical CCSD for small systems like LiH with respect to full configuration interaction (FCI). Targeting on CO2 capture application, our second example is to use VQE to quantify molecular vibrational energies and reaction pathways between CO2 and a simplified amine-based solvent model—NH3 to form H2NCOOH. This research showcases quantum computing applications in the study of CO2 capture reactions.

Duan, Yuhua↗