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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Heat Transfer on a Flat Plate with Uniform and Step Temperature Distributions

Heat transfer associated with turbulent flow on a step-heated or cooled section of a flat plate at zero angle of attack with an insulated starting section was computationally modeled using the GASP Navier-Stokes code. The algebraic eddy viscosity model of Baldwin-Lomax and the turbulent two-equation models, the K- model and the Shear Stress Turbulent model (SST), were employed. The variations from uniformity of the imposed experimental temperature profile were incorporated in the computations. The computations yielded satisfactory agreement with the experimental results for all three models. The Baldwin- Lomax model showed the closest agreement in heat transfer, whereas the SST model was higher and the K-omega model was yet higher than the experiments. In addition to the step temperature distribution case, computations were also carried out for a uniformly heated or cooled plate. The SST model showed the closest agreement with the Von Karman analogy, whereas the K-omega model was higher and the Baldwin-Lomax was lower.

Bahrami, Parviz A.↗
DOE OSTI2023

Virtual Engineering of Low-Temperature Conversion

In this work, we present the development of an overarching software framework and supporting multiphysics models to simulate the end-to-end process of biomass conversion. This virtual engineering (VE) software is designed with the goal of accelerating research and development and reducing risk for market-relevant biomass conversion processes. We currently support multiple models, computing paradigms, and fidelities representing the steps of feedstock pretreatment, enzymatic hydrolysis, and bioconversion. Although this VE approach was developed to support a biomass workflow, we have designed each component in a way that allows us to easily support new domains, unit models, and feedstocks. We begin by presenting the user-facing aspects of the VE software and highlight how simulated elements are defined and linked by VE functions. We then present an overview of the high-fidelity computational fluid dynamics (CFD) models developed to support our target domain before segueing into our efforts to develop accurate and fast surrogate models, capturing the salient outcomes from the CFD simulations in a significantly less computationally demanding manner. We then present how VE calculations interface with a commercial techno-economic analysis software, Aspen Plus. We conclude by presenting VE case studies that leverage these methods and discuss how our methods can be extended to support a wide variety of accelerated biofuel commercialization pathways in the future.

biofuel↗
DOE OSTI2024

In situ tumor model for longitudinal in silico imaging trials

Abstract Objective.In this article, we introduce a computational model for simulating the growth of breast cancer lesions accounting for the stiffness of surrounding anatomical structures.Approach.In our model, ligaments are classified as the most rigid structures while the softer parts of the breast are occupied by fat and glandular tissues As a result of these variations in tissue elasticity, the rapidly proliferating tumor cells are met with differential resistance. It is found that these cells are likely to circumvent stiffer terrains such as ligaments, instead electing to proliferate preferentially within the more yielding confines of the breast’s soft topography. By manipulating the interstitial tumor pressure in direct proportion to the elastic constants of the tissues surrounding the tumor, this model thus creates the potential for realizing a database of unique lesion morphology sculpted by the distinctive topography of each local anatomical infrastructure. We modeled the growth of simulated lesions within volumes extracted from fatty breast models, developed by Graffet alwith a resolution of 50μm generated with the open-source and readily available Virtual Imaging Clinical Trials for Regulatory Evaluation (VICTRE) imaging pipeline. To visualize and validate the realism of the lesion models, we leveraged the imaging component of the VICTRE pipeline, which replicates the siemens mammomat inspiration mammography system in a digital format. This system was instrumental in generating digital mammogram (DM) images for each breast model containing the simulated lesions.Results.By utilizing the DM images, we were able to effectively illustrate the imaging characteristics of the lesions as they integrated with the anatomical backgrounds. Our research also involved a reader study that compared 25 simulated DM regions of interest (ROIs) with inserted lesions from our models with DM ROIs from the DDSM dataset containing real manifestations of breast cancer. In general the simulation time for the lesions was approximately 2.5 hours, but it varied depending on the lesion’s local environment.Significance.The lesion growth model will facilitate and enhance longitudinal in silico trials investigating the progression of breast cancer.

Engineering↗
NASA NTRS1978

Simulation model of a single-stage lithium bromide-water absorption cooling unit

A computer model of a LiBr-H2O single-stage absorption machine was developed. The model, utilizing a given set of design data such as water-flow rates and inlet or outlet temperatures of these flow rates but without knowing the interior characteristics of the machine (heat transfer rates and surface areas), can be used to predict or simulate off-design performance. Results from 130 off-design cases for a given commercial machine agree with the published data within 2 percent.

Miao, D.↗
NASA NTRS1987

Development of an analytical model to assess fuel property effects on combustor performance

A generalized first-order computer model has been developed in order to analytically evaluate the potential effect of alternative fuels' effects on gas turbine combustors. The model assesses the size, configuration, combustion reliability, and durability of the combustors required to meet performance and emission standards while operating on a broad range of fuels. Predictions predicated on combustor flow-field determinations by the model indicate that fuel chemistry, as defined by hydrogen content, exerts a significant influence on flame retardation, liner wall temperature, and smoke emission.

Sutton, R. D.↗
NASA NTRS1988

Simulation models of early visual processes

Several areas of early visual processes are studied using computer models. These models include retinal cone placement, cone color arrangement, development of geniculate receptive fields, cortical simple cells, and motion field extraction. The receptive field of a model cortical unit is indicated schematically.

Ahumada, Albert J., Jr.↗
NASA NTRS1993

An RL10A-3-3A rocket engine model using the rocket engine transient simulator (ROCETS) software

Steady-state and transient computer models of the RL10A-3-3A rocket engine have been created using the Rocket Engine Transient Simulation (ROCETS) code. These models were created for several purposes. The RL10 engine is a critical component of past, present, and future space missions; the model will give NASA an in-house capability to simulate the performance of the engine under various operating conditions and mission profiles. The RL10 simulation activity is also an opportunity to further validate the ROCETS program. The ROCETS code is an important tool for modeling rocket engine systems at NASA Lewis. ROCETS provides a modular and general framework for simulating the steady-state and transient behavior of any desired propulsion system. Although the ROCETS code is being used in a number of different analysis and design projects within NASA, it has not been extensively validated for any system using actual test data. The RL10A-3-3A has a ten year history of test and flight applications; it should provide sufficient data to validate the ROCETS program capability. The ROCETS models of the RL10 system were created using design information provided by Pratt & Whitney, the engine manufacturer. These models are in the process of being validated using test-stand and flight data. This paper includes a brief description of the models and comparison of preliminary simulation output against flight and test-stand data.

Binder, Michael↗
NASA NTRS1986

Mathematical model for the Bridgman-Stockbarger crystal growing system

In a major technical breakthrough, a computer model for Bridgman-Stockbarger crystal growth was developed. The model includes melt convection, solute effects, thermal conduction in the ampule, melt, and crystal, and the determination of the curved moving crystal-melt interface. The key to the numerical method is the use of a nonuniform computational mesh which moves with the interface, so that the interface is a mesh surface. In addition, implicit methods are used for advection and diffusion of heat, concentration, and vorticity, for interface movement, and for internal gracity waves. This allows large time-steps without loss of stability or accuracy. Numerical results are presented for the interface shape, temperature distribution, and concentration distribution, in steady-state crystl growth. Solutions are presented for two test cases using water, with two different salts in solution. The two diffusivities differ by a factor of ten, and the concentrations differ by a factor of twenty.

Roberts, G. O.↗
DOE OSTI2022

Computational Response Theory for Dynamics

Quantifying the sensitivity - how a quantity of interest (QoI) varies with respect to a parameter – and response – the representation of a QoI as a function of a parameter - of a computer model of a parametric dynamical system is an important and challenging problem. Traditional methods fail in this context since sensitive dependence on initial conditions implies that the sensitivity and response of a QoI may be ill-conditioned or not well-defined. If a chaotic model has an ergodic attractor, then ergodic averages of QoIs are well-defined quantities and their sensitivity can be used to characterize model sensitivity. The response theorem gives sufficient conditions such that the local forward sensitivity – the derivative with respect to a given parameter - of an ergodic average of a QoI is well-defined. We describe a method based on ergodic and response theory for computing the sensitivity and response of a given QoI with respect to a given parameter in a chaotic model with an ergodic and hyperbolic attractor. This method does not require computation of ensembles of the model with perturbed parameter values. The method is demonstrated and some of the computations are validated on the Lorenz 63 and Lorenz 96 models.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

A Status Review of the Commercial Supersonic Technology (CST) Aeroservoelasticity (ASE) Project

An overview of recent progress regarding the computational aeroelastic and aeroservoelastic (ASE) analyses of a low-boom supersonic configuration is presented. The overview includes details of the computational models developed to date with a focus on unstructured CFD grids, computational aeroelastic analyses, sonic boom propagation studies that include static aeroelastic effects, and gust loads analyses. In addition, flutter boundaries using aeroelastic Reduced-Order Models (ROMs) are presented at various Mach numbers of interest. Details regarding a collaboration with the Royal Institute of Technology (KTH, Stockholm, Sweden) to design, fabricate, and test a full-span aeroelastic wind-tunnel model are also presented.

Silva, Walter A.↗
NASA NTRS2018

Overview and Evaluation of a Computational Bone Physiology Modeling Toolchain and Its Application to Testing of Exercise Countermeasures

Prolonged microgravity exposure disrupts natural bone remodeling processes and can lead to a significant loss of bone strength, increasing injury risk during missions and placing astronauts at a greater risk of bone fracture later in life. Resistance-based exercise during missions is used to combat bone loss, but current exercise countermeasures do not completely mitigate the effects of microgravity. To address this concern, we present work to develop a personalizable, site-specific computational modeling toolchain of bone remodeling dynamics to understand and estimate changes in volumetric bone mineral density (BMD) in response to microgravity-induced bone unloading and in-flight exercise. The toolchain is evaluated against data collected from subjects in a 70-day bed rest study and is found to provide insight into the amount of exercise stimulus needed to minimize bone loss, quantitatively predicting post-study volumetric BMD of control subjects who did not perform exercise, and qualitatively predicting the effects of exercise. Results suggest that, with additional data, the toolchain could be improved to aid in developing customized in-flight exercise regimens and predict exercise effectiveness.

Schepelmann, Alexander↗
NASA NTRS2019

Overview and Evaluation of a Computational Bone Physiology Modeling Toolchain and Its Application to Testing of Exercise Countermeasures

Prolonged microgravity exposure disrupts natural bone remodeling processes and can lead to a significant loss of bone strength, increasing injury risk during missions and placing astronauts at a greater risk of bone fracture later in life. Resistance-based exercise during missions is used to combat bone loss, but current exercise countermeasures do not completely mitigate the effects of microgravity. To address this concern, we present work to develop a personalizable, site-specific computational modeling toolchain of bone remodeling dynamics to understand and estimate changes in volumetric bone mineral density (BMD) in response to microgravity-induced bone unloading and in-flight exercise. The toolchain is evaluated against data collected from subjects in a 70-day bedrest study and is found to provide insight into the amount of exercise stimulus needed to minimize bone loss, quantitatively predicting post-study volumetric BMD of control subjects who did not perform exercise, and qualitatively predicting the effects of exercise. Results suggest that, with additional data, the toolchain could be improved to aid in developing customized in-flight exercise regimens and predict exercise effectiveness.

Schepelmann, Alexander↗
DOE OSTI2023

Reducing impacts of artificial ponding in modeling salt marshes using a conductivity-formulated subgrid model

The landforms of salt marsh systems are rather complex, with meandering channel networks cutting through low-lying, extensive marsh platforms. Some small-scale topographic details are critical to flooding and draining processes but cannot be reflected in the Digital Elevation Model (DEM) due to limited measurement resolution and vegetation bias. Numerical models need a grid with high enough resolution to capture the small-scale connectivity to correctly model the small-scale flow processes, making the model computationally unaffordable. Here, in this study, we derived a subgrid model, which couples two flow components, one is the regular subgrid model for simulating the subgrid-resolved flows, and the other is a conductivity-formulated porous flow model for modeling small-scale gut flows unresolved at the subgrid level. The model validation was performed using an idealized case with a narrow slot that was unresolved in the coupled flow model. Model results were compared with a slot-resolved regular subgrid model where only surface flows are solved and suggested that, with a proper model parameterization, the coupled flow model is capable of reproducing flooding and draining processes similar to the slot-resolved subgrid model of surface flow. The model was applied to simulating flooding and draining processes in a meso-tidal salt marsh. The model results demonstrate that the coupled subgrid model can be used to reduce the impacts of artificial ponding that usually occur in numerical simulations of salt marshes with numerous narrow gullies and creeks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Leveraging Intramolecular π-Stacking to Access an Exceptionally Long-Lived 3 MC Excited State in an Fe(II) Carbene Complex

The ability to manipulate excited-state decay cascades using molecular structure is essential to the application of abundant-metal photosensitizers and chromophores. Ligand design has yielded some spectacular results elongating charge-transfer excited state lifetimes of Fe(II) coordination complexes, but triplet metal-centered ( 3 MC) excited states - recently demonstrated to be critical to the photoactivity of isoelectronic Co(III) polypyridyls - have to date remained elusive, with temporally isolable examples limited to the picosecond regime. Here, with this report, we show how strong-field donors and intramolecular π-stacking can conspire to stabilize a long-lived 3 MC excited state for a remarkable 4.1 ± 0.3 ns in fluid solution at ambient temperature. Analysis of variable-temperature time-resolved absorption data using theoretical models ranging from Arrhenius to semiclassical Marcus theory, combined with computational modeling and X-ray crystallography, reveal a Jahn−Teller stabilized excited state with a high activation barrier for ground-state recovery. The net result is a chromophore with a 3 MC excited-state lifetime that is orders of magnitude longer than anything yet observed for an Fe(II) complex.

carbene compounds↗
DOE OSTI2021

Assessment of Fast Reactor Hot Channel Factor Calculation Capability in Griffin and NekRS

The DOE-NE Advanced Modeling and Simulation (NEAMS) program develops, demonstrates, and deploys predictive computational modeling tools for nuclear reactor design and analysis. Under the Fast Reactor Applications activity within the Application Drivers Technical Area of NEAMS, the ability to perform high fidelity “hot channel factor” (HCF) coupled multiphysics simulations has been identified as a valuable simulation capability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Shedding Light on Primary Donors in Photosynthetic Reaction Centers

Chlorophylls (Chl)s exist in a variety of flavors and are ubiquitous in both the energy and electron transfer processes of photosynthesis. The functions they perform often occur on the ultrafast (fs–ns) time scale and until recently, these have been difficult to measure in real time. Further, the complexity of the binding pockets and the resulting protein-matrix effects that alter the respective electronic properties have rendered theoretical modeling of these states difficult. Recent advances in experimental methodology, computational modeling, and emergence of new reaction center (RC) structures have renewed interest in these processes and allowed researchers to elucidate previously ambiguous functions of Chls and related pheophytins. This is complemented by a wealth of experimental data obtained from decades of prior research. Studying the electronic properties of Chl molecules has advanced our understanding of both the nature of the primary charge separation and subsequent electron transfer processes of RCs. In this review, we examine the structures of primary electron donors in Type I and Type II RCs in relation to the vast body of spectroscopic research that has been performed on them to date. Further, we present density functional theory calculations on each oxidized primary donor to study both their electronic properties and our ability to model experimental spectroscopic data. This allows us to directly compare the electronic properties of hetero- and homodimeric RCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Solar heating and cooling technical data and systems analysis

The accomplishments of a project to study solar heating and air conditioning are outlined. Presentation materials (data packages, slides, charts, and visual aids) were developed. Bibliographies and source materials on materials and coatings, solar water heaters, systems analysis computer models, solar collectors and solar projects were developed. Detailed MIRADS computer formats for primary data parameters were developed and updated. The following data were included: climatic, architectural, topography, heating and cooling equipment, thermal loads, and economics. Data sources in each of these areas were identified as well as solar radiation data stations and instruments.

Christensen, D. L.↗