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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Multi-Physics Coupling to Model a RbCl-RbCl-Ga Target Stack

A computational model has been developed to simulate the performance of the Los Alamos Isotope Production Facility's (IPF) routine production target configuration, which consists of two Inconel-encapsulated RbCl salt targets and one niobium-encapsulated gallium target separated by water cooling channels. The methodology involves iteratively coupling particle transport and thermal hydraulic codes to determine the time dependent behavior of the target. Phase and density changes seen in targets are known to impact beam penetration and distribution. In addition, evidence of energy distributions seen in experimental radionuclide yield measurements at IPF do not match those seen in previous MCNP predictions. Density reduction as a result of heat deposition affects proton energy loss along the particle's track, impacting both radionuclide yields and target design. Accurate modeling of the thermal behavior of these multi-phase targets and the corresponding impact on beam behavior will significantly improve our understanding of incident and exit proton energy distributions and resulting radionuclide yields in downstream targets. Thermal hydraulic modeling, including computational fluid dynamics (CFD) and heat transfer, was performed with ANSYS CFX while particle transport was performed with the Monte Carlo N-Particle code (MCNP). (authors)

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1979

Some potential blood flow experiments for space

Blood is a colloidal suspension of cells, predominantly erythrocytes, (red cells) in an aqueous solution called plasma. Because the red cells are more dense than the plasma, and because they tend to aggregate, erythrocyte sedimentation can be significant when the shear stresses in flowing blood are small. This behavior, coupled with equipment restrictions, has prevented certain definitive fluid mechanical studies from being performed with blood in ground-based experiments. Among such experiments, which could be satisfactorily performed in a microgravity environment, are the following: (1) studies of blood flow in small tubes, to obtain pressure-flow rate relationships, to determine if increased red cell aggregation can be an aid to blood circulation, and to determine vessel entrance lengths, and (2) studies of blood flow through vessel junctions (bifurcations), to obtain information on cell distribution in downstream vessels of (arterial) bifurcations, and to test flow models of stratified convergent blood flows downstream from (venous) bifurcations.

Cokelet, G. R.↗
DOE OSTI2021

Aero-Thermal Characterization of Accelerating and Diffusing Passages Downstream of Rotating Detonation Combustors

Cycle benefits of rotating detonation engines show up to five percentage points of efficiency gain for low-pressure ratio engines. An optimal integration between the combustor and the turbine needs to be guaranteed to realize this potential gain. The rotating detonation combustor (RDC) exhausts transonic flow with shocks rotating at frequencies ranging from a few to tens of kilohertz depending on the number of present waves. Hence, the turbine design requires precise knowledge of the fluctuations and losses downstream of the combustor. This paper focuses on the quantification of fluctuations and losses for accelerating and diffusing passages. The analysis of the combustor is performed via reactive unsteady Reynolds Averaged Navier-Stokes (URANS) simulations. The unsteady RANS equations are solved via CFD++ from Metacomp with a one-step reaction mechanism for an H2-air mixture. The resolving of the boundary layer is achieved with a structured mesh of around 36 million cells. Inlet pressure of 10 bar and two different back pressures are applied to the combustor to model the interconnection with downstream turbines. Finally, we present and assess a methodology to reduce the computational time to model these passages ten times.

Braun, James↗
DOE OSTI2022

Influence of sequential stimulation practices on geochemical alteration of shale

Water-based hydraulic fracturing fluids (HFFs) can chemically interact with formation shale, resulting in altered porosity and permeability of the host rock. Experimental investigations of spatial and temporal shale-HFF interactions are helpful in interpreting chemical compositions of the injectate, as well as predicting alteration of hydraulic properties in the reservoir due to mineral dissolution and precipitation. Most bench-top experiments designed to study shale-HFF chemical interactions, either using batch reactors or flow-through setups, are carried out assuming that the acid spearhead has already become mixed with neutral HFFs. During operations, however, HFFs are typically injected according to a sequenced pumping schedule, starting with a concentrated acid spearhead, followed by multiple additions of near-neutral pH HFFs containing chemical amendments and proppant. In this study, we use geochemical modeling to consider whether this pre-mixed experimental protocol provides results directly comparable to a sequential discrete fluid-shale interaction protocol. Our results show that for the batch system, the transient evolution in major ion concentrations is faster with the sequential procedure. After 2 h of reaction time, the two protocols converge to the same aqueous concentrations. In a flow-through geometry, the pre-mixed model predicts extensive chemical alteration close to the injection point but negligible alteration downstream. In contrast, the sequential model predicts mineral reactions over hundreds of meters along the flow path. The extent of shale alteration in the sequential model at a given location depends on shale mineralogy and where the acid spearhead resides during the shut-in period. The predictive model developed in this study can help experimentalists to design bench-top tests and operators to better translate the results of laboratory experiments into practical applications.

Li, Qingyun↗
DOE OSTI2018

A Unified Modeling Framework to Advance Biofuel Production from Microalgae

Modeling efforts to understand the financial implications of microalgal biofuels often assume a static basis for microalgae biomass composition and cost, which has constrained cultivation and downstream conversion process design and limited in-depth understanding of their interdependencies. For this work, a dynamic biological cultivation model was integrated with thermo-chemical/biological unit process models for downstream biorefineries to increase modeling fidelity, to provide mechanistic links among unit operations, and to quantify minimum product selling prices of biofuels via techno-economic analysis. Variability in design, cultivation, and conversion parameters were characterized through Monte Carlo simulation, and sensitivity analyses were conducted to identify key cost and fuel yield drivers. Cultivating biomass to achieve the minimum biomass selling price or to achieve maximum lipid content were shown to lead to suboptimal fuel production costs. Depending on biomass composition, both hydrothermal liquefaction and a biochemical fractionation process (combined algal processing) were shown to have advantageous minimum product selling prices, which supports continued investment in multiple conversion pathways. Ultimately, this work demonstrates a clear need to leverage integrated modeling platforms to advance microalgae biofuel systems as a whole, and specific recommendations are made for the prioritization of research and development pathways to achieve economical biofuel production from microalgae.

09 BIOMASS FUELS↗
NASA NTRS1972

Dispersion of SST trails in the stratosphere.

A simple theory for the dispersion of the exhaust of a supersonic transport cruising in the stratosphere is presented. This model shows that far downstream from the aircraft, buoyancy dominates the growth of the wake. This growth is limited by the stable stratification of the atmosphere. Data on the visible width of the wake from scaled experiments in a towing tank and from studies on the growth of contrails of subsonic aircraft verify the growth of the wake in an unstratified atmosphere is predicted by the model. This growth is faster than would be predicted for the wake of an axisymmetric body with no buoyancy.

Overcamp, T. J.↗
DOE OSTI2026

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗
NASA NTRS1992

The magnetic field in the heliosheath

The interplanetary magnetic field (IMF) behaves in a reasonably well-understood manner between the Sun and the heliospheric termination shock. At the shock, the azimuthal field is amplified by a factor of four (for a strong shock) and undergoes secular amplification in the heliosheath until the flow is fully turned into the downstream direction and has reached its asymptotic state in the distant heliotail. This amplification may lead to important MHD effects that can cause the shock to be closer to the Sun than otherwise expected. Here we further examine whether there are important MHD effects in the heliosheath. We do this by calculating the kinematic compression of the magnetic field in the heliosheath using an analytic incompressible flow model of the dynamics downstream of the shock. We conclude that it is likely that MHD effects are important in the heliosheath in a narrow cone about the upstream direction.

Suess, S. T.↗
NASA NTRS1981

Experimental investigation of a jet inclined to a subsonic crossflow

Experimental investigations have been conducted to determine the surface-pressure distribution on a flat plate and a body of revolution with a jet issuing at a large angle to the free stream and to obtain a better understanding of the entrainment mechanism close to the jet exit by quantitative mean velocity surveys. Pressure data were obtained with a flat plate model at several nozzle injection angles using a single round nozzle. For the body of revolution model, data were obtained with a round jet exhausting perpendicular to the crossflow and with two round jets spaced two to six nozzle diameters apart. Mean velocity measurements were obtained with laser velocimeter surveys near the base of a round jet exhausting normal to a flat plate. For the flat plate model, the pressure field shifts downstream and the entrainment effect decreases with decreasing nozzle injection angle. For the body of revolution model with two jets, the jet-induced effect of the rear jet on the surface-pressure distribution was less than the front jet. The flow regions close to the jet are defined by the laser surveys, but further mean velocity surveys are required to understand the entrainment mechanism.

Aoyagi, K.↗
DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗
DOE OSTI2020

A Distributed Reinforcement Learning Yaw Control Approach for Wind Farm Energy Capture Maximization: Preprint

In this paper, we present a reinforcement-learning based distributed approach to wind farm energy capture maximization using yaw control, also known as wake steering. In order to maximize the power output of a wind farm, it is often necessary for individual turbines to decrease their own power output through yaw misalignment so as to deflect their wakes away from downstream turbines. Although using model-based methods to achieve yaw misalignment is one option, a model-free method might be better suited to incorporate factors that are difficult to model or changing conditions. We propose an algorithm that adapts concepts of temporal difference reinforcement learning distributed to a multi-agent environment that allows individual turbines to act so as to optimize overall wind farm output and react to unforeseen disturbances.

controls↗
NASA NTRS1988

An Empirical Model of the Effects of Curvature and Convergence on Dilution Jet Mixing

An existing empirical model of the temperature field downstream of single and multiple rows of jets injected into a confined crossflow has been extended to model the effects of curvature and convergence on the mixing. This extension is based on the results of a numerical study of these effects using a 3-D turbulent flow computer code. Temperature distributions calculated with the empirical model are presented to show the effects of flow area convergence, radius of curvature, and inner and outer wall injection for single and opposed rows of jets.

Holdeman, James D.↗
NASA NTRS1988

An empirical model of the effects of curvature and convergence on dilution jet mixing

An existing empirical model of the temperature field downstream of single and multiple rows of jets injected into a confined crossflow has been extended to model the effects of curvature and convergence on the mixing. This extension is based on the results of a numerical study of these effects using a 3-D turbulent flow computer code. Temperature distributions calculated with the empirical model are presented to show the effects of flow area convergence, radius of curvature, and inner and outer wall injection for single and opposed rows of jets.

Holdeman, James D.↗
NASA NTRS1992

Studies of the effects of curvature on dilution jet mixing

An analytical program was conducted using both three-dimensional numerical and empirical models to investigate the effects of transition liner curvature on the mixing of jets injected into a confined crossflow. The numerical code is of the TEACH type with hybrid numerics; it uses the power-law and SIMPLER algorithms, an orthogonal curvilinear coordinate system, and an algebraic Reynolds stress turbulence model. From the results of the numerical calculations, an existing empirical model for the temperature field downstream of single and multiple rows of jets injected into a straight rectangular duct was extended to model the effects of curvature. Temperature distributions, calculated with both the numerical and empirical models, are presented to show the effects of radius of curvature and inner and outer wall injection for single and opposed rows of cool dilution jets injected into a hot mainstream flow.

Holdeman, James D.↗
NASA NTRS1982

Wind tunnel measurements of three-dimensional wakes of buildings

Measurements relevant to the effect of buildings on the low level atmospheric boundary layer are presented. A wind tunnel experiment was undertaken to determine the nature of the flow downstream from a gap between two transversely aligned, equal sized models of rectangular cross section. These building models were immersed in an equilibrium turbulent boundary layer which was developed on a smooth floor in a zero longitudinal pressure gradient. Measurements with an inclined (45 degree) hot-wire were made at key positions downstream of models arranged with a large, small, and no gap between them. Hot-wire theory is presented which enables computation of the three mean velocity components, U, V and W, as well as Reynolds stresses. These measurements permit understanding of the character of the wake downstream of laterally spaced buildings. Surface streamline patterns obtained by the oil film method were used to delineate the separation region to the rear of the buildings for a variety of spacings.

Logan, E., Jr.↗
DOE OSTI2022

Potassium carbonate decomposition modeling within rotating detonation engines for direct power extraction applications

We report that recently, there has been a significant interest in detonation-based combustion systems, such as rotating detonation engines (RDE), due to potential performance advantages in propulsion and energy applications. This includes improvements in thermodynamic efficiency, inherently high gas velocities, and the possibility of achieving an increase in total pressure (i.e. pressure gain) through the combustion process. Due to approximating a constant volume combustion process, these devices also tend to exhibit extremely high local gas temperatures relative to a comparable constant pressure combustor. These advantages overlap well with desirable performance characteristics of direct power extraction (DPE) technologies, such as a magnetohydrodynamic (MHD) generator. Typically, in DPE systems hot combustion products are seeded with an easily ionizable material such as potassium carbonate (K 2 CO 3 ) in order to boost the electrical conductivity. However, due to the short gas residence times within an RDE, it was unclear whether forming an electrically conductive combustion plasma would be feasible for integration with a downstream MHD generator. A model is presented which describes the heating, decomposition, and ionization of solid K 2 CO 3 particles and aqueous solutions of K 2 CO 3 in water, for a given initial particle diameter. This model was combined with available computational fluid dynamics (CFD) data for an oxygen-methane RDE in a one-way coupled Eulerian-Lagrangian framework to predict particle trajectories and the corresponding heating, decomposition, and ionization histories. Electrical conductivities were computed using a previously developed model, and a method was proposed to determine an equivalent average electrical conductivity. Results show that particle sizes below ~30 µm are able to fully decompose before reaching the exit of the RDE. While the one-way coupled nature of the simulations precluded rigorous evaluation of the effects of seed material on detonability, a substantial temperature reduction is expected at the detonation wave front due to heating and decomposition. A preliminary comparison is presented between the RDE and an equivalent constant pressure adiabatic combustor, showing a potential performance advantage for the RDE.

42 ENGINEERING↗
DOE OSTI2021

Adaptive downstream tensorial eddy viscosity for hybrid large‐eddy simulations‐Reynolds‐averaged‐Navier–Stokes simulations

An adaptive method is developed to improve the accuracy of eddy‐viscosity Reynolds‐averaged‐Navier–Stokes (RANS) model in hybrid large‐eddy simulations (LES)‐RANS simulations by using available upstream LES results. The method first gets the tensorial eddy viscosity from the upstream LES solution at the LES‐RANS interface and then uses that information to improve the downstream RANS model by invoking the weak‐equilibrium assumption. The proposed method was evaluated via two test problems—flow in a channel and over a periodic hill. Results obtained show the proposed approach to increase the accuracy and stability of hybrid LES‐RANS simulations. Since the modification of the downstream RANS model is based on the tensorial eddy viscosity from the upstream LES solution, the method is adaptive to the problem being studied.

Zhang, Wanjia↗