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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Designing a quantum-accurate machine-learning potential to enable large-scale simulations of deuterium under shock

Large-scale molecular dynamics of deuterium under shock can elucidate kinetic processes vital to the target design in inertial confinement fusion and high-energy-density experiments. However, modeling the complex evolution of this material from an insulating molecular state at ambient pressure to an ionized, atomic fluid under strong shock is beyond the capability of simple pair and even bond order potentials. We thus train a quantum-accurate and broadly transferable machine-learning interatomic potential for deuterium using the Chebyshev Interaction Model for Efficient Simulations framework. We show that due to an improved description of the molecular-to-atomic transition, our model is able to better reproduce the ab initio equation of state, radial distribution functions, and principal Hugoniot than bond order potentials. This represents an important step toward large-scale quantum-accurate and nonequilibrium simulations of complicated systems under dynamic changes including phase transitions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Metagenomic investigation of the geologically unique Hellenic Volcanic Arc reveals a distinctive ecosystem with unexpected physiology: Metagenomic investigation of the Hellenic Volcanic Arc

Hydrothermal vents represent a deep, hot, aphotic biosphere where chemosynthetic primary producers, fuelled by chemicals from Earth's subsurface, form the basis of life. In this study, we examined microbial mats from two distinct volcanic sites within the Hellenic Volcanic Arc (HVA). The HVA is geologically and ecologically unique, with reported emissions of CO 2 -saturated fluids at temperatures up to 220°C and a notable absence of macrofauna. Metagenomic data reveals highly complex prokaryotic communities composed of chemolithoautotrophs, some methanotrophs, and to our surprise, heterotrophs capable of anaerobic degradation of aromatic hydrocarbons. Our data suggest that aromatic hydrocarbons may indeed be a significant source of carbon in these sites, and instigate additional research into the nature and origin of these compounds in the HVA. Novel physiology was assigned to several uncultured prokaryotic lineages; most notably, a SAR406 representative is attributed with a role in anaerobic hydrocarbon degradation. This dataset, the largest to date from submarine volcanic ecosystems, constitutes a significant resource of novel genes and pathways with potential biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

pdas-experiments

SAND2025-04589O pdas-experiments automates computational experiments of fluid flow simulations. It uses the pressio-demoapps-schwarz package as a basis to break down complex simulations into smaller, manageable parts. This application is an extension of the Sandia Pressio software which uses domain decomposition to work with complex simulations more efficiently. Users can test different simulation setups, while keeping a detailed record of their experiments so they can be reproduced later. The software includes a C++ program that runs individual experiments based on user-defined settings in a YAML file, as well as a Python script that can manage multiple simulations at once. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tezaur, Irina [Sandia National Lab. (SNL-CA), Live↗
DOE OSTI2020

C HIMERA : A Massively Parallel Code for Core-collapse Supernova Simulations

Herein we provide a detailed description of the C HIMERA code, a code developed to model core collapse supernovae (CCSNe) in multiple spatial dimensions. The CCSN explosion mechanism remains the subject of intense research. Progress to date demonstrates that it involves a complex interplay of neutrino production, transport, and interaction in the stellar core, three-dimensional stellar core fluid dynamics and its associated instabilities, nuclear burning, and the fundamental physics of the neutrino–stellar core weak interactions and the equations of state of all stellar core constituents—particularly, the nuclear equation of state associated with core nucleons, both free and bound in nuclei. C HIMERA , by incorporating detailed neutrino transport, realistic neutrino–matter interactions, three-dimensional hydrodynamics, realistic nuclear, leptonic, and photonic equations of state, and a nuclear reaction network, along with other refinements, can be used to study the role of neutrino radiation, hydrodynamic instabilities, and a variety of input physics in the explosion mechanism itself. It can also be used to compute observables such as neutrino signatures, gravitational radiation, and the products of nucleosynthesis associated with CCSNe. The code contains modules for neutrino transport, multidimensional compressible hydrodynamics, nuclear reactions, a variety of neutrino interactions, equations of state, and modules to provide data for post-processing observables such as the products of nucleosynthesis, and gravitational radiation. C HIMERA is an evolving code, being updated periodically with improved input physics and numerical refinements. We detail here the current version of the code, from which future improvements will stem, which can in turn be described as needed in future publications.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Toward a CFD nose-to-tail capability - Hypersonic unsteady Navier-Stokes code validation

Computational fluid dynamics (CFD) research for hypersonic flows presents new problems in code validation because of the added complexity of the physical models. This paper surveys code validation procedures applicable to hypersonic flow models that include real gas effects. The current status of hypersonic CFD flow analysis is assessed with the Compressible Navier-Stokes (CNS) code as a case study. The methods of code validation discussed to beyond comparison with experimental data to include comparisons with other codes and formulations, component analyses, and estimation of numerical errors. Current results indicate that predicting hypersonic flows of perfect gases and equilibrium air are well in hand. Pressure, shock location, and integrated quantities are relatively easy to predict accurately, while surface quantities such as heat transfer are more sensitive to the solution procedure. Modeling transition to turbulence needs refinement, though preliminary results are promising.

Edwards, Thomas A.↗
NASA NTRS1989

An experimental study of turbine vane heat transfer with leading edge and downstream film cooling

This paper presents the effects of downstream film cooling, with and without leading edge showerhead film cooling, on turbine-vane external heat transfer. Steady-state experimental measurements were made in a three-vane linear two-dimensional cascade. The principal independent parameters were maintained over ranges consistent with actual engine conditions. The test matrix was structured to provide an assessment of the independent influence of parameters of interest, namely, exit Mach number, exit Reynolds number, coolant-to-gas temperature ratio, and coolant-to-gas pressure ratio. The data obtained indicate that considerable cooling benefits can be achieved by utilizing downstream film cooling. The downstream film cooling process was shown to be a complex interaction of two competing mechanisms. The thermal dilution effect, associated with the injection of relatively cold fluid, results in a decrease in the heat transfer to the airfoil. Conversely, the turbulence augmentation, produced by the injection process, results in increased heat transfer to the airfoil.

Nirmalan, V.↗
NASA NTRS1995

Development of numerical methods for overset grids with applications for the integrated Space Shuttle vehicle

Algorithms and computer code developments were performed for the overset grid approach to solving computational fluid dynamics problems. The techniques developed are applicable to compressible Navier-Stokes flow for any general complex configurations. The computer codes developed were tested on different complex configurations with the Space Shuttle launch vehicle configuration as the primary test bed. General, efficient and user-friendly codes were produced for grid generation, flow solution and force and moment computation.

Chan, William M.↗
NASA NTRS1996

Research in Parallel Algorithms and Software for Computational Aerosciences

Phase I is complete for the development of a Computational Fluid Dynamics parallel code with automatic grid generation and adaptation for the Euler analysis of flow over complex geometries. SPLITFLOW, an unstructured Cartesian grid code developed at Lockheed Martin Tactical Aircraft Systems, has been modified for a distributed memory/massively parallel computing environment. The parallel code is operational on an SGI network, Cray J90 and C90 vector machines, SGI Power Challenge, and Cray T3D and IBM SP2 massively parallel machines. Parallel Virtual Machine (PVM) is the message passing protocol for portability to various architectures. A domain decomposition technique was developed which enforces dynamic load balancing to improve solution speed and memory requirements. A host/node algorithm distributes the tasks. The solver parallelizes very well, and scales with the number of processors. Partially parallelized and non-parallelized tasks consume most of the wall clock time in a very fine grain environment. Timing comparisons on a Cray C90 demonstrate that Parallel SPLITFLOW runs 2.4 times faster on 8 processors than its non-parallel counterpart autotasked over 8 processors.

Domel, Neal D.↗
NASA NTRS2000

Channels and Valleys

More than 200 channels and valleys have been identified on the Magellan images of Venus. These are classified, on the basis of morphology. as simple channels (including sinuous rilles, simple channels with flow margins. and canali), complex channels (with or without flow margins), compound channels, and valley networks (including rectangular, labyrinthic, and pitted or irregular networks). Sinuous rilles closely resemble their lunar counterparts. Canali are exceptional for their remarkably constant width along very extenuated flow paths, exceeding 500 km. One of the compound channels, the outflow complex of Kallistos Vallis. extends over 1200 km and is up to 30 km wide. Venusian channels are globally distributed, but each class has a preferential topographic association. The canali are developed on the volcanic plains. while sinuous rilles occur at higher elevations, associated with volcanic complexes and coronae. Both canali and sinuous rilles have been deformed by post-emplacement tectonism. Highly fluid lavas, erupted at sustained, high discharges seem best to explain many of the channel features, particularly for the canali and the compound channels. Explanation of the canali morphologies may also involve unusual low-viscosity lavas, perhaps of exotic composition.

Baker, Victor R.↗
NASA NTRS2000

Application of the Spectral Element Method to Acoustic Radiation

This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

Doyle, James F.↗
NASA NTRS2002

Use of High Fidelity Methods in Multidisciplinary Optimization-A Preliminary Survey

Multidisciplinary optimization is a key element of design process. To date multidiscipline optimization methods that use low fidelity methods are well advanced. Optimization methods based on simple linear aerodynamic equations and plate structural equations have been applied to complex aerospace configurations. However, use of high fidelity methods such as the Euler/ Navier-Stokes for fluids and 3-D (three dimensional) finite elements for structures has begun recently. As an activity of Multidiscipline Design Optimization Technical Committee (MDO TC) of AIAA (American Institute of Aeronautics and Astronautics), an effort was initiated to assess the status of the use of high fidelity methods in multidisciplinary optimization. Contributions were solicited through the members MDO TC committee. This paper provides a summary of that survey.

Guruswamy, Guru P.↗
NASA NTRS2011

The Solar Wind as a Magnetofluid Turbulence Laboratory

The solar wind is the Sun's exosphere. As the solar atmosphere expands into interplanetary space, it is accelerated and heated. Data from spacecraft located throughout the heliosphere have revealed that this exosphere has velocities of several hundred kilometers/sec, densities at Earth orbit of about 5 particles/cu cm, and an entrained magnetic field that at Earth orbit that is about 5 10-5 Gauss. A fascinating feature of the solar wind is that the magnetic field fluctuates in a way that is highly reminiscent of "Alfven waves, i.e., the fluctuating magnetic fields are more-or-less aligned with fluctuations in the velocity of the plasma and, with proper normalization, have approximately equal magnitudes. The imperfect (observed) alignment leads to a variety of complex interactions. In many respects, the flow patterns appear to be an example of fully developed magneto fluid turbulence. Recently, the dissipation range of this turbulence has been studied using search coil magnetometer data from the STAFF instrument on the four Cluster spacecraft. I will attempt to give an overview of selected properties of this large-scale and small-scale turbulence.

Goldstein, Melvyn L.↗
NASA NTRS2012

Anomaly Detection in Test Equipment via Sliding Mode Observers

Nonlinear observers were originally developed based on the ideas of variable structure control, and for the purpose of detecting disturbances in complex systems. In this anomaly detection application, these observers were designed for estimating the distributed state of fluid flow in a pipe described by a class of advection equations. The observer algorithm uses collected data in a piping system to estimate the distributed system state (pressure and velocity along a pipe containing liquid gas propellant flow) using only boundary measurements. These estimates are then used to further estimate and localize possible anomalies such as leaks or foreign objects, and instrumentation metering problems such as incorrect flow meter orifice plate size. The observer algorithm has the following parts: a mathematical model of the fluid flow, observer control algorithm, and an anomaly identification algorithm. The main functional operation of the algorithm is in creating the sliding mode in the observer system implemented as software. Once the sliding mode starts in the system, the equivalent value of the discontinuous function in sliding mode can be obtained by filtering out the high-frequency chattering component. In control theory, "observers" are dynamic algorithms for the online estimation of the current state of a dynamic system by measurements of an output of the system. Classical linear observers can provide optimal estimates of a system state in case of uncertainty modeled by white noise. For nonlinear cases, the theory of nonlinear observers has been developed and its success is mainly due to the sliding mode approach. Using the mathematical theory of variable structure systems with sliding modes, the observer algorithm is designed in such a way that it steers the output of the model to the output of the system obtained via a variety of sensors, in spite of possible mismatches between the assumed model and actual system. The unique properties of sliding mode control allow not only control of the model internal states to the states of the real-life system, but also identification of the disturbance or anomaly that may occur.

Solano, Wanda M.↗
NASA NTRS2016

An Optimized Multicolor Point-Implicit Solver for Unstructured Grid Applications on Graphics Processing Units

In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.

Zubair, Mohammad↗
NASA NTRS2024

Grossite-Bearing Refractory Inclusions from Reduced CV Chondrites: Mineralogical and Oxygen Isotopic Constraints on the Parent Body Alteration History

We report the results of coordinated mineralogical, microstructural, and oxygen isotopic analyses of grossite-bearing refractory inclusions from reduced CV (Vigarano type) chondrites to obtain a more complete picture of secondary parent body alteration processes and conditions. Grossite (CaAl 4 O 7 ) occurs in cores of nodules in fine-grained Ca,Al-rich inclusions (CAIs) that likely represent aggregates of nebular condensates. In many occurrences, grossite has been partially replaced by hercynite [(Fe,Mg,Zn)Al 2 O 4 ], which displays complex microstructures and compositions, and magnetite nanoparticles. The alteration of grossite was a crystallographically-controlled, fluid-driven process that occurred via partial dissolution of grossite and subsequent precipitation of hercynite and magnetite during short-lived and low-temperature metasomatic alteration on the CV chondrite parent body. The constituent phases of grossite-bearing CAIs show heterogeneous oxygen isotopic compositions, with grossite and perovskite displaying systematically 16O-depleted compositions (Δ 17 O = −12‰ to −1‰) relative to uniformly 16 O-rich hibonite and spinel (Δ 17 O = −25‰ to −21‰). Melilite is variably 16 O-depleted (Δ 17 O = −25‰ to −2‰). The observed oxygen isotopic distribution is interpreted as a result of mineralogically controlled oxygen isotopic exchange with an 16 O-poor fluid on the CV chondrite parent body. Collectively, the presence of limited fluids played an important role in preferential alteration of grossite to hercynite and magnetite and various degrees of 16O depletion in grossite, perovskite, and melilite during thermal metamorphism. We conclude that, among refractory phases in the inclusions, grossite was the most susceptible to metasomatic reactions with Fe-rich fluids and the second most susceptible, after perovskite, to oxygen isotopic exchange with an 16 O-poor fluid during the thermal history of the CV chondrite parent asteroid.

Calcium-aluminum-rich inclusions↗
DOE OSTI2011

A posteriori error analysis for a cut cell finite volume method

We study the solution of a diffusive process in a domain where the diffusion coefficient changes discontinuously across a curved interface. We consider discretizations that use regularly-shaped meshes, so that the interface “cuts” through the cells (elements or volumes) without respecting the regular geometry of the mesh. Consequently, the discontinuity in the diffusion coefficients has a strong impact on the accuracy and convergence of the numerical method. This motivates the derivation of computational error estimates that yield accurate estimates for specified quantities of interest. For this purpose, we adapt the well-known adjoint based a posteriori error analysis technique used for finite element methods. In order to employ this method, we describe a systematic approach to discretizing a cut-cell problem that handles complex geometry in the interface in a natural fashion yet reduces to the well-known Ghost Fluid Method in simple cases. We test the accuracy of the estimates in a series of examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Stability study of aqueous foams under high-temperature and high-pressure conditions relevant to Enhanced Geothermal Systems (EGS)

In Enhanced Geothermal System (EGS) hydraulic fracturing is carried out by injecting cold water into deep Hot Dry Rocks (HDR) under carefully controlled conditions to create new or reopen existing fractures. Water-based fracturing fluids demonstrate some challenges including immense quantity of water usage, water sensitivity of the formations, water blocking, and lack of proppant carrying capacity and transportation. Thus, an alternative is to use foam-based fracturing fluid which offers potential advantage over conventional water-based fracturing fluid such as minimum water usage, reduced wellbore damage, high proppant carrying capacity, and less environmental damage. However, foams are complex mixture of gaseous phase and liquid phase which are thermodynamically unstable at downhole conditions, and their stability can decrease over time due to liquid drainage, bubble coarsening, and coalescence. This paper shows laboratory experiments executed to study foam stability at high temperature (200°C) and high pressure (6.9MPa) conditions which simulates the geothermal environment. Foam stability was characterized by half-life of foam, which is defined as the time taken by the foam to decreases by 50% of its original height due to drainage. In this paper, two types of gaseous phases, nitrogen (N 2 ) and carbon dioxide (CO 2 ) were investigated. Also, based on successful practice of foam-based fracturing fluid in oil and gas industries, four surfactants, including Alpha olefin sulfonate (AOS), Sodium dodecyl sulfonate (SDS), Tergitol™ (NP – 40), and Cetyltrimethylammonium chloride (CTAC) at optimum concentration of 1wt.% were tested for best stability performance. In addition, different stabilizing agents including guar gum, bentonite clay, crosslinker, silicon dioxide nanoparticles (SiO 2 ), graphene oxide (GO) were also studied. Experimental results showed that N 2 foams were more stable than CO 2 foams. It was observed that foam half-life decreased with the increase in temperature. Among all the surfactants, AOS foams showed the most promising thermal stability at high temperatures. Moreover, with the addition of stabilizing agents, foam's half-life was enhanced. Stabilizing agents such as crosslinker and GO dispersion showed the most stable foams with half-life recorded at 20min and 17min, respectively, at 200°C and 6.9MPa. Finally, pressure also showed a positive effect on foam stability; with increased pressure, foam half-life was increased. Based on the experimental data, analytical models for the effect of temperature and pressure were developed, considering foam degradation is a first-order kinetic reaction that linearly depends on the foam drainage mechanism. The effect of temperature on foam half-life was studied as an exponential decay model. In this model, foam half-life is a function of drainage rate constant (D A ) and activation energy (E a ) of the foam system. The effect of pressure on foam half-life was found to obey a power-law model where an increase in pressure showed an increase in foam half-life. Furthermore, a linear relation was studied for the effect of pressure on foam activation energy and drainage rate. Then the combined effects of temperature and pressure were studied, which yielded an analytical model to predict the foam stabilities in terms of half-life for different foam compositions. In conclusion, this research indicates that with an appropriate selection of surfactants and stabilizing agents, it is possible to obtain stable foams, which could replace conventional water fracturing fluid under EGS conditions.

15 GEOTHERMAL ENERGY↗
NASA NTRS1996

Effects of Shrouded Stator Cavity Flows on Multistage Axial Compressor Aerodynamic Performance

Experiments were performed on a low-speed multistage axial-flow compressor to assess the effects of shrouded stator cavity flows on aerodynamic performance. Five configurations, which involved changes in seal-tooth leakage rates and/or elimination of the shrouded stator cavities, were tested. Data collected enabled differences in overall individual stage and the third stage blade element performance parameters to be compared. The results show conclusively that seal-tooth leakage ran have a large impact on compressor aerodynamic performance while the presence of the shrouded stator cavities alone seemed to have little influence. Overall performance data revealed that for every 1% increase in the seal-tooth clearance to blade-height ratio the pressure rise dropped up to 3% while efficiency was reduced by 1 to 1.5 points. These observed efficiency penalty slopes are comparable to those commonly reported for rotor and cantilevered stator tip clearance variations. Therefore, it appears that in order to correctly predict overall performance it is equally important to account for the effects of seal-tooth leakage as it is to include the influence of tip clearance flows. Third stage blade element performance data suggested that the performance degradation observed when leakage was increased was brought about in two distinct ways. First, increasing seal-tooth leakage directly spoiled the near hub performance of the stator row in which leakage occurred. Second, the altered stator exit now conditions caused by increased leakage impaired the performance of the next downstream stage by decreasing the work input of the downstream rotor and increasing total pressure loss of the downstream stator. These trends caused downstream stages to progressively perform worse. Other measurements were acquired to determine spatial and temporal flow field variations within the up-and-downstream shrouded stator cavities. Flow within the cavities involved low momentum fluid traveling primarily in the circumferential direction at about 40% of the hub wheel speed. Measurements indicated that the flow within both cavities was much more complex than first envisioned. A vortical flow structure in the meridional plane, similar to a driven cavity, existed within the upstream cavity Furthermore, other spatial and temporal variations in Row properties existed. the most prominent being caused by the upstream potential influence of the downstream blade. This influence caused the fluid within cavities near the leading edges of either stator blades in space or rotor blades in time to be driven radially inward relative to fluid near blade mid-pitch. This influence also produced large unsteady velocity fluctuations in the downstream cavity because of the passing of the downstream rotor blade.

Wellborn, Steven R.↗