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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Pore-Scale Modeling of Mineral Growth and Nucleation in Reactive Flow

A fundamental understanding of mineral precipitation kinetics relies largely on microscopic observations of the dynamics of mineral surfaces exposed to supersaturated solutions. Deconvolution of tightly bound transport, surface reaction, and crystal nucleation phenomena still remains one of the main challenges. Particularly, the influence of these processes on texture and morphology of mineral precipitate remains unclear. This study presents a coupling of pore-scale reactive transport modeling with the Arbitrary Lagrangian-Eulerian approach for tracking evolution of explicit solid interface during mineral precipitation. It incorporates a heterogeneous nucleation mechanism according to Classical Nucleation Theory which can be turned “on” or “off.” This approach allows us to demonstrate the role of nucleation on precipitate texture with a focus at micrometer scale. In this work precipitate formation is modeled on a 10 micrometer radius particle in reactive flow. The evolution of explicit interface accounts for the surface curvature which is crucial at this scale in the regime of emerging instabilities. The results illustrate how the surface reaction and reactive fluid flow affect the shape of precipitate on a solid particle. It is shown that nucleation promotes the formation of irregularly shaped precipitate and diminishes the effect of the flow on the asymmetry of precipitation around the particle. The observed differences in precipitate structure are expected to be an important benchmark for reaction-driven precipitation in natural environments.

58 GEOSCIENCES↗
DOE OSTI2026

Synergy and antagonism in a genome-scale model of metabolic hijacking by bacteriophages

Bacteriophage auxiliary metabolic genes (AMGs) alter host metabolism by hijacking reactions, but previous studies mostly inferred their roles from annotations, ignoring system-wide impacts and phage production. Here we integrate AMGs and phage assembly into a genome-scale metabolic model of Prochloroccocus marinus MED4 infected by P-HM2. We show that 17 directly hijacked reactions substantially affect more than 30% of the reactions in MED4 metabolism, including carbon fixation, photosynthesis, and nucleotide synthesis, distinguishing these AMGs as either phage aligned—shifting feasible reaction velocities in accordance with maximal phage production—or phage antialigned. Pareto optimization reveals that phage-aligned reactions alter phage-host growth trade-offs, while phage-antialigned reactions do not. We experimentally validate our predictions of system-level AMG impacts by measuring the N-dependent effect of P-HM2 cp12 expression on growth in a model relative of the genetically intractable MED4, Synechococcus elongatus. We also show that AMGs’ indirect impacts are synergistically and antagonistically coupled, providing systems-level insight into AMG perturbations and highlighting how nontrivial cascading effects shape host metabolism.

Rozum, Jordan C. [Pacific Northwest National Labor↗
NASA NTRS1949

Preliminary Results of a Free-Flight Investigation of the Static Stability and Aileron Control Characteristics of 1/6 Scale Models of the Bell MX-776

An investigation of the static longitudinal stability, static directional stability, and aileron control characteristics at transonic and supersonic speeds is being made of 1/6 scale rocket-propelled model of the Bell MX-776. A stability investigation has been made of two symmetrical models with controls undeflected and centers of gravity one-half and one-body diameter, respectively, ahead of the equivalent design center-of-gravity location of the full-scale version. Both models developed large normal-force coefficients in both the subsonic and supersonic ranges which indicated longitudinal instability at low angles of attack. The side-force coefficients were small for both models and indicated that the models were directionally stable. A possible tendency toward dynamic directional instability in the transonic region was indicated by short-period oscillations of the side forces. The results showed a partial-span inboard aileron to be ineffective or to cause negative control in the the transonic region when deflected approximately 5 deg but not when deflected 10 deg. An investigation of drag showed it to increase with a rearward movement of the center of gravity. This indicates an increase in the trim angle of attack as could be caused by a decrease in static stability.

Michal, David H.↗
NASA NTRS2005

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Frankland, S. J. V.↗
NASA NTRS1996

Evaluation of Subgrid-Scale Models for Large Eddy Simulation of Compressible Flows

The objective of this project was to evaluate and develop subgrid-scale (SGS) turbulence models for large eddy simulations (LES) of compressible flows. During the first phase of the project results from LES using the dynamic SGS model were compared to those of direct numerical simulations (DNS) of compressible homogeneous turbulence. The second phase of the project involved implementing the dynamic SGS model in a NASA code for simulating supersonic flow over a flat-plate. The model has been successfully coded and a series of simulations has been completed. One of the major findings of the work is that numerical errors associated with the finite differencing scheme used in the code can overwhelm the SGS model and adversely affect the LES results. Attached to this overview are three submitted papers: 'Evaluation of the Dynamic Model for Simulations of Compressible Decaying Isotropic Turbulence'; 'The effect of the formulation of nonlinear terms on aliasing errors in spectral methods'; and 'Large-Eddy Simulation of a Spatially Evolving Compressible Boundary Layer Flow'.

Blaisdell, Gregory A.↗
NASA NTRS1971

Aerodynamic characteristics of a large scale model with a swept wing and augmented jet flap

Data of tests of a large-scale swept augmentor wing model in the 40- by 80-foot wind tunnel are presented. The data includes longitudinal characteristics with and without a horizontal tail as well as results of preliminary investigation of lateral-directional characteristics. The augmentor flap deflection was varied from 0 deg to 70.6 deg at isentropic jet thrust coefficients of 0 to 1.47. The tests were made at a Reynolds number from 2.43 to 4.1 times one million.

Falarski, M. D.↗
NASA NTRS2014

Tone and Broadband Noise Separation from Acoustic Data of a Scale-Model Counter-Rotating Open Rotor

Renewed interest in contra-rotating open rotor technology for aircraft propulsion application has prompted the development of advanced diagnostic tools for better design and improved acoustical performance. In particular, the determination of tonal and broadband components of open rotor acoustic spectra is essential for properly assessing the noise control parameters and also for validating the open rotor noise simulation codes. The technique of phase averaging has been employed to separate the tone and broadband components from a single rotor, but this method does not work for the two-shaft contra-rotating open rotor. A new signal processing technique was recently developed to process the contra-rotating open rotor acoustic data. The technique was first tested using acoustic data taken of a hobby aircraft open rotor propeller, and reported previously. The intent of the present work is to verify and validate the applicability of the new technique to a realistic one-fifth scale open rotor model which has 12 forward and 10 aft contra-rotating blades operating at realistic forward flight Mach numbers and tip speeds. The results and discussions of that study are presented in this paper.

Acoustic Data↗
NASA NTRS2014

Tone and Broadband Noise Separation from Acoustic Data of a Scale-Model Contra-Rotating Open Rotor

Renewed interest in contra-rotating open rotor technology for aircraft propulsion application has prompted the development of advanced diagnostic tools for better design and improved acoustical performance. In particular, the determination of tonal and broadband components of open rotor acoustic spectra is essential for properly assessing the noise control parameters and also for validating the open rotor noise simulation codes. The technique of phase averaging has been employed to separate the tone and broadband components from a single rotor, but this method does not work for the two-shaft contra-rotating open rotor. A new signal processing technique was recently developed to process the contra-rotating open rotor acoustic data. The technique was first tested using acoustic data taken of a hobby aircraft open rotor propeller, and reported previously. The intent of the present work is to verify and validate the applicability of the new technique to a realistic one-fifth scale open rotor model which has 12 forward and 10 aft contra-rotating blades operating at realistic forward flight Mach numbers and tip speeds. The results and discussions of that study are presented in this paper.

Noise Separation↗
DOE OSTI2024

Subject-specific multi-scale modeling of the fate of inhaled aerosols

Determining the fate of inhaled aerosols in the respiratory system is essential in assessing the potential toxicity of inhaled airborne materials, responses to airborne pathogens, or in improving inhaled drug delivery. The availability of high-resolution clinical lung imaging and advances in the reconstruction of lung airways from CT images have led to the development of subject-specific in-silico 3D models of aerosol dosimetry, often referred to as computational fluid-particle-dynamics (CFPD) models. As CFPD models require extensive computing resources, they are typically confined to the upper and large airways. These models can be combined with lower-dimensional models to form multiscale models that predict the transport and deposition of inhaled aerosols in the entire respiratory tract. Understanding where aerosols deposit is only the first of potentially several key events necessary to predict an outcome, being a detrimental health effect or a therapeutic response. To that end, multiscale approaches that combine CFPD with physiologically-based pharmacokinetics (PBPK) models have been developed to evaluate the absorption, distribution, metabolism, and excretion (ADME) of toxic or medicinal chemicals in one or more compartments of the human body. CFPD models can also be combined with host cell dynamics (HCD) models to assess regional immune system responses. Here, this paper reviews the state of the art of these different multiscale approaches and discusses the potential role of personalized or subject-specific modeling in respiratory health.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1975

Results of investigations on an 0.015-scale model (49-0) of the Rockwell International Space Shuttle orbiter in the NASA-Ames Research Center 3.5-foot hypersonic wind tunnel (0A98)

The results of a wind tunnel test are presented; the model used for this test was 0.015-scale 140 A/B hybrid configuration of the space shuttle orbiter. The primary test objectives were to obtain incremental data on the effects of a sting mount on base pressures and force and moment data. The increments obtained included the addition of MPS nozzles as well as the deletion of the simulated sting mount. Six-component aerodynamic force and moment data were recorded over an angle of attack range from 12 to 42 degrees at 0 and 5 degrees angles of sideslip. The testing was accomplished at Mach 5.3 and Mach 10.3. The effects of various elevon, body flap, and speed brake settings were investigated, and static pressures were measured at the fuselage base for use in force-data reduction.

Milam, M. D.↗
DOE OSTI2024

Predicting Radiation-Induced Plutonium Redox Chemistry using Multi-scale Modeling Methods

Over the the last 70 years plutonium (Pu) has been integral in the development of several technologies that have changed the world, yet our fundamental understanding of its chemistry is still far from complete. This is a testament to this element’s unique and complex properties, such as its ability to coexist as multiple oxidation states in aqueous solution. Careful manipulation of plutonium oxidation states is essential in the study and utilization of its rich chemistry. To achieve this level of control, a comprehensive mechanistic understanding of radiation-induced plutonium redox chemistry is critical due to the unavoidable exposure of plutonium to ionizing radiation fields, both inherent and from in-process applications. For this reason, we have developed an experimentally evaluated multi-scale computer model for the prediction of gamma radiation-induced Pu(IV) redox chemistry in concentrated nitric acid solutions (1.0, 3.0, and 6.0 M). Under these acidic, aqueous solution conditions, cobalt-60 gamma irradiation afforded negligible net change in the steady-state oxidation state distribution of Pu(IV). Multi-scale calculations, which are in excellent agreement with experimental data, indicate that this observation is due to radiation-induced redox cycling between Pu(IV) and Pu(III), as achieved by the reduction of Pu(IV) by radiolytic nitrous acid and hydrogen peroxide, and the oxidation of Pu(III) by nitrate and hydroxyl radicals. These radiation-induced redox processes are augmented by plutonium’s inherent disproportionation reactions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Multi-scale models of whole cells: progress and challenges

Whole-cell modeling is “the ultimate goal” of computational systems biology and “a grand challenge for 21st century”. These complex, highly detailed models account for the activity of every molecule in a cell and serve as comprehensive knowledgebases for the modeled system. Their scope and utility far surpass those of other systems models. In fact, whole-cell models (WCMs) are an amalgam of several types of “system” models. The models are simulated using a hybrid modeling method where the appropriate mathematical methods for each biological process are used to simulate their behavior. Given the complexity of the models, the process of developing and curating these models is labor-intensive and to date only a handful of these models have been developed. While whole-cell models provide valuable and novel biological insights, and to date have identified some novel biological phenomena, their most important contribution has been to highlight the discrepancy between available data and observations that are used for the parametrization and validation of complex biological models. Another realization has been that current whole-cell modeling simulators are slow and to run models that mimic more complex (e.g., multi-cellular) biosystems, those need to be executed in an accelerated fashion on high-performance computing platforms. In this manuscript, we review the progress of whole-cell modeling to date and discuss some of the ways that they can be improved.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2012

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Olevsky, Eugene↗
NASA NTRS1975

Airloads investigation of an 0.030-scale model of the space shuttle vehicle 140A/B launch configuration (model 47-OTS) in the arc 11-foot unitary plan wind tunnel for Mach range 0.6 to 1.4 (IA14A), Volume 2

Results of tests conducted on an 0.030-scale launch configuration model of the space shuttle vehicle 140A/B in the NASA/ARC 11-foot unitary plan wind tunnel are presented. Aerodynamic loads data were obtained at Mach numbers from 0.6 to 1.4. Surface pressure distributions were obtained simultaneously with six-component stability and control force data on the complete launch configuration. The configuration consisted of the orbiter, an external tank, two solid rocket boosters, and associated intercomponent attach hardware. Angles of attack and sideslip from -10 degrees to +10 degrees were investigated.

Gillins, R. L.↗
NASA NTRS1985

A re-evaluation of the Haser model scale lengths for comets

The scale lengths are examined for the Haser (1957) model using new, photoelectric, high signal-to-noise ratio data on a variety of comets. The comets have helicocentric distances from 0.75 to 1.81 AU. It is shown that the scale lengths for C2 and C3 compiled by A'Hearn and Newburn and Spinrad (1984) do not adequately represent the data for most of the comets considered. New scale lengths are derived for these two molecules. CN scale lengths are discussed. It is shown that an R-sub-h squared variation for the scale lengths works for most molecules but that the C2 parent scale length must vary by R-sub-h to the 2.5 power.

Cochran, A. L.↗
NASA NTRS1961

Aerodynamic Characteristics of a Large-Scale Model with a High Disk-Loading Lifting Fan Mounted in the Fuselage

An investigation was conducted to determine the longitudinal characteristics during low-speed flight of a large-scale VTOL airplane model with a direct lifting fan enclosed in the fuselage. The model had a shoulder-mounted unswept wing of aspect ratio 5. The effect on longitudinal characteristics of fan operation, propulsion by means of deflecting the fan efflux, trailing-edge flap deflection, and horizontal-tail height were studied.

Aoyagi, Kiyoshi↗