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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A combined kinetic Monte Carlo and phase field approach to model thermally activated dislocation motion

In this work, a kinetic Monte Carlo (KMC) scheme is integrated into a phase field dislocation dynamics (PFDD) model to account for thermal activation. While the implementation is general and could be applied to many different thermally activated processes, we apply the model to simulate a dislocation transmitting through an interface. Two cases are analyzed: a dislocation transmitting through a strong interface, and a dislocation transmitting through a more realistic grain boundary in tungsten. In conclusion, results and trends for both cases are discussed in detail, and ultimately show that the combined KMC-PFDD algorithm is effective in capturing thermally activated dislocation processes.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Dynamics of Active Separation Control at High Reynolds Numbers

A series of active flow control experiments were recently conducted at high Reynolds numbers on a generic separated configuration. The model simulates the upper surface of a 20% thick Glauert-Goldschmied type airfoil at zero angle of attack. The flow is fully turbulent since the tunnel sidewall boundary layer flows over the model. The main motivation for the experiments is to generate a comprehensive data base for validation of unsteady numerical simulation as a first step in the development of a CFD design tool, without which it would not be possible to effectively utilize the great potential of unsteady flow control. This paper focuses on the dynamics of several key features of the baseline as well as the controlled flow. It was found that the thickness of the upstream boundary layer has a negligible effect on the flow dynamics. It is speculated that separation is caused mainly by the highly convex surface while viscous effects are less important. The two-dimensional separated flow contains unsteady waves centered on a reduced frequency of 0.8, while in the three dimensional separated flow, frequencies around a reduced frequency of 0.3 and 1 are active. Several scenarios of resonant wave interaction take place at the separated shear-layer and in the pressure recovery region. The unstable reduced frequency bands for periodic excitation are centered on 1.5 and 5, but these reduced frequencies are based on the length of the baseline bubble that shortens due to the excitation. The conventional swept wing-scaling works well for the coherent wave features. Reproduction of these dynamic effects by a numerical simulation would provide benchmark validation.

Pack, LaTunia G.↗
NASA NTRS2000

Dynamics of Active Separation Control at High Reynolds Numbers

A series of active flow control experiments were recently conducted at high Reynolds numbers on a generic separated configuration. The model simulates the upper surface of a 20% thick Glauert-Goldschmied type airfoil at zero angle of attack. The flow is fully turbulent since the tunnel sidewall boundary layer flows over the model. The main motivation for the experiments is to generate a comprehensive data base for validation of unsteady numerical simulation as a first step in the development of a CFD design tool, without which it would not be possible to effectively utilize the great potential of unsteady flow control. This paper focuses on the dynamics of several key features of the baseline as well as the controlled flow. It was found that the thickness of the upstream boundary layer has a negligible effect on the flow dynamics. It is speculated that separation is caused mainly by the highly convex surface while viscous effects are less important. The two-dimensional separated flow contains unsteady waves centered on a reduced frequency of 0.9, while in the three dimensional separated flow, frequencies around a reduced frequency of 0.3 and 1 are active. Several scenarios of resonant wave interaction take place at the separated shear-layer and in the pressure recovery region. The unstable reduced frequency bands for periodic excitation are centered on 1.5 and 5, but these reduced frequencies are based on the length of the baseline bubble that shortens due to the excitation. The conventional works well for the coherent wave features. Reproduction of these dynamic effects by a numerical simulation would provide benchmark validation.

Pack, LaTunia G.↗
NASA NTRS1992

A compressible near-wall turbulence model for boundary layer calculations

A compressible near-wall two-equation model is derived by relaxing the assumption of dynamical field similarity between compressible and incompressible flows. This requires justifications for extending the incompressible models to compressible flows and the formulation of the turbulent kinetic energy equation in a form similar to its incompressible counterpart. As a result, the compressible dissipation function has to be split into a solenoidal part, which is not sensitive to changes of compressibility indicators, and a dilational part, which is directly affected by these changes. This approach isolates terms with explicit dependence on compressibility so that they can be modeled accordingly. An equation that governs the transport of the solenoidal dissipation rate with additional terms that are explicitly dependent on the compressibility effects is derived similarly. A model with an explicit dependence on the turbulent Mach number is proposed for the dilational dissipation rate. Thus formulated, all near-wall incompressible flow models could be expressed in terms of the solenoidal dissipation rate and straight-forwardly extended to compressible flows. Therefore, the incompressible equations are recovered correctly in the limit of constant density. The two-equation model and the assumption of constant turbulent Prandtl number are used to calculate compressible boundary layers on a flat plate with different wall thermal boundary conditions and free-stream Mach numbers. The calculated results, including the near-wall distributions of turbulence statistics and their limiting behavior, are in good agreement with measurements. In particular, the near-wall asymptotic properties are found to be consistent with incompressible behavior; thus suggesting that turbulent flows in the viscous sublayer are not much affected by compressibility effects.

So, R. M. C.↗
NASA NTRS1996

Test Outline for Flutter Analysis of Rectangular Panels in Rarefied Flow Conditions

Jet plume impingement forces acting on large flexible space structures may precipitate dynamically unstable behavior during space flights. Typical operating conditions in space involve rarefied gas flow regimes which are intrinsically distinct from continuum gas flow and are normally modeled using the kinetic theory of gas flow. Docking and undocking operations of the Space Shuttle with the Russian Mir space laboratory represent a scenario in which the stability boundaries of solar panels may be of interest. Extensive literature review of research work on the dynamic stability of rectangular panels in rarefied gas flow conditions indicated the lack of published reports dealing with this phenomenon. A recently completed preliminary study for NASA JSC dealing with the mathematical analysis of the stability of two-degree-of-freedom elastically supported rigid panels under the effect of rarefied gas flow was reviewed. A test plan outline is prepared for the purpose of conducting a series of experiments on four rectangular rigid test articles in a vacuum chamber under the effect of continuous and pulsating Nitrogen jet plumes. The purpose of the test plan is to gather enough data related to a number of key parameters to allow the validation of the two-degree-of-freedom mathematical model. The hardware required careful design to select a very lightweight material while satisfying rigidity and frequency requirements within the constraints of the test environment. The data to be obtained from the vacuum chamber tests can be compared with the predicted behavior of the theoretical two-degree-of-freedom model. Using the data obtained in this study, further research can identify the limitations of the mathematical model. In addition modifications to the mathematical model can be made, if warranted, to accurately predict the behavior of rigid panels under rarefied gas flow regimes.

Akl, Fred A.↗
NASA NTRS1988

Numerical simulations of thermal-chemical instabilities at the core-mantle boundary

Numerical simulations of thermal-chemical instabilities in the D-double-prime layer at the core-mantle boundary are presented which show that strong lateral heterogeneities in the composition and density fields can be initiated and maintained dynamically if there is continuous replenishment of material from subduced slabs coming from the upper mantle. These chemical instabilities have a tendency to migrate laterally and may help to support core-mantle boundary topography with short and long wavelengths. The thermal-chemical flows produce a relatively stagnant D-double-prime layer with strong lateral and temporal variations in basal heat flux, which gives rise to thermal core-mantle interactions influencing the geodynamo.

Hansen, Ulrich↗
NASA NTRS2019

Effect of Mass Transfer on Aeroheating in Hypersonic Chemically Reacting Boundary Layers

Heat flux characterization of high-enthalpy boundary layer flows is key to optimize the performance and design of Thermal Protection System of next generation aerospace vehicles [1]. At atmospheric entry hypersonic speeds, ablation as well as surface catalycity impact boundary layer aeroheating. Out-gassing occurring from an ablative surface in planetary entry environment introduces a rich set of problems in thermodynamic, fluid dynamic, and material pyrolysis. Ablation leads to out-gassing and surface roughness, both of which are known to affect surface heating in hypersonic chemically reacting boundary layers via three main routes: gas blowing into the boundary layer from the wall, changing the surface heat transfer due to wall-flow chemical reactions, and modifying surface roughness via ablative processes.

Karimi, Mona↗
DOE OSTI2023

Investigation of Surface and Marine-Cloud Coupling and its Impact on Cloud Droplet Number Concentrations and Cloud Cover Over the Southern Ocean

The proposed work involves characterizing and quantifying both the thermodynamic and dynamical coupling of marine low clouds (MLC) with the sea surface using Atmospheric Radiation Measurement (ARM) observations during MARCUS field campaign and an LES model. ARM data from multiple sensors will be used (e.g., Doppler cloud radar, ceilometer, and microwave radiometer) to characterize the MLC-surface coupling by virtue of the vertical structure and integrated quantities of boundary-layer clouds, aerosols, as well as atmospheric profiles and surface meteorology. We have used a combination of case studies and statistics-based composite analyses to find any linkages between large-scale dynamics, MLC-surface coupling, and cloud and boundary layer properties, the sequence of which reflects the chain of causality. An LES model with explicit aerosol physics, which includes the cycle of aerosols by being consumed as CCN and be regenerated following cloud droplet evaporation, has been run to determine the sources and sinks of Nd and their dependence on the degree of MLC-surface coupling. We have examined the systematic differences in both Nd and cloud occurrence between the two clusters under different meteorological conditions and further examine their respective roles, as well as causal relationships by means of LES modeling. This study helped improve our understanding of the ACI by differentiating the dynamic role of the coupling and cloud physics denoted by Nd, bridging the linkage in the chain toward understanding mechanisms governing the persistence of MLC over the Southern Ocean, solving the long-lasting problem of the cloud cover underestimation over the SO by GCMs. Ample ARM data and LES model have been employed to achieve the objectives of the study.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Elasticity effects on cavitation in a squeeze film damper undergoing noncentered circular whirl

Elasticity of the liner and its effects on cavitation were numerically determined for a squeeze film damper subjected to dynamic loading. The loading was manifested as a prescribed motion of the rotor undergoing noncentered circular whirl. The boundary conditions were implemented using Elrod's algorithm which conserves lineal mass flux through the moving cavitation bubble as well as the oil film region of the damper. Computational movies were used to analyze the rapidly changing pressures and vapor bubble dynamics throughout the dynamic cycle for various flexibilities in the damper liner. The effects of liner elasticity on cavitation were only noticeable for the intermediate and high values of viscosity used in this study.

Brewe, David E.↗
NASA NTRS2001

Dynamical Interpolation of Mesoscale Flows in the TOPEX/Poseidon Diamond Surrounding the U.S. Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study Site

An open boundary ocean model is configured in a domain bounded by the four TOPEX/Poseidon (T/P) ground tracks surrounding the US Joint Global Ocean Flux Study Bermuda Atlantic Time-Series Study (BATS) site. This implementation facilitates prescription of model boundary conditions directly from altimetric measurements (both TIP and ERS-2). The expected error characteristics for a domain of this size with periodically updated boundary conditions are established with idealized numerical experiments using simulated data. A hindcast simulation is then constructed using actual altimetric observations during the period October 1992 through September 1998. Quantitative evaluation of the simulation suggests significant skill. The correlation coefficient between predicted sea level anomaly and ERS observations in the model interior is 0.89; that for predicted versus observed dynamic height anomaly based on hydrography at the BATS site is 0.73. Comparison with the idealized experiments suggests that the main source of error in the hindcast is temporal undersampling of the boundary conditions. The hindcast simulation described herein provides a basis for retrospective analysis of BATS observations in the context of the mesoscale eddy field.

McGillicuddy, Dennis J., Jr.↗
DOE OSTI2022

Role of tilt grain boundaries on the structural integrity of WSe 2 monolayers

Transition metal dichalcogenides (TMDCs) are potential materials for future optoelectronic devices. Grain boundaries (GBs) can significantly influence the optoelectronic properties of TMDC materials. Here, we have investigated the mechanical characteristics of tungsten diselenide (WSe 2 ) monolayers and failure process with symmetric tilt GBs using ReaxFF molecular dynamics simulations. In particular, the effects of topological defects, loading rates, and temperatures are investigated. We considered nine different grain boundary structures of monolayer WSe 2 , of which six are armchair (AC) tilt structures, and the remaining three are zigzag (ZZ) tilt structures. Our results indicate that both tensile strength and fracture strain of WSe 2 with symmetric tilt GBs decrease as the temperature increases. We revealed an interfacial phase transition for high-angle GBs reduces the elastic strain energy within the interface at finite temperatures. Furthermore, brittle cracking is the dominant failure mode in the WSe 2 monolayer with tilted GBs. WSe 2 GB structures showed more strain rate sensitivity at high temperatures than at low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Adaptive finite difference methods in fluid dynamics

An adaptive method to solve partial differential equations in fluid mechanics is presented. The approach requires internal boundary conditions that must be conservative, data structures for keeping track of several layers of fine grid patches, error estimation, and heuristics for automatic grid generation. In practical calculations gains in computer efficiency up to 10 over nonadaptive methods are observed. The whole procedure takes 3000 lines of FORTRAN code.

Berger, Marsha J.↗
NASA NTRS1992

Stiffnesses by (TtN) ensemble molecular dynamics

Calculation of elastic constants requires initializing a lattice of atoms, an h matrix defining the computational cell boundaries, and the parameters defining the interatomic potentials, then numerically integrating the equations of motion for the atoms and the computational cell boundaries, calculating strains and stresses at each timestep, and updating at each timestep the average quantities required for calculation of fluctuations. Enforcements of the DYNAMO FORTRAN code included addition of documentation, improved memory management and data flow, and enabling use of several interatomic potentials. Documentation included headers for each subroutine, which document the parameters input to the routine, algorithms employed, and output.

Tibbits, Patrick↗
DOE OSTI2023

Role of geometric dynamic recrystallization in nanocrystalline alloys

Nanocrystalline and near-nano-grained metals are plagued with an overall lack of ductility and formability. This is in part due to their inability to support the dislocation mechanisms or undergo the same types of transformations that conventional coarse-grained metals access in order to increase their workability. Therefore, despite their advanced properties such as high strength, the manufacturing of such fine-grained metals, which exposes them to multi-axial states of stress in operations such as rolling, drawing, extrusion, forging, and bending, has not been possible. In this work, we address this limitation and highlight an important aspect of geometric dynamic recrystallization (GDRX) in nanocrystalline materials as a way to improve manufacturability. In particular, using two different alloy compositions and two different processing techniques, this study points to the fact that if nanocrystalline or near nano metals can be truly stabilized, they can repeatedly undergo the same types of processes that conventional coarse-grained metals endure, increasing both their formability and hence manufacturability. The results reveal that due to a large number of initial high-angle grain boundaries and large applied compressive strains, GDRX is activated in the absence of any discontinuous dynamic recrystallization (DDRX) or continuous dynamic recrystallization (CDRX). This is a unique aspect of stabilized nanocrystalline materials, as traditionally fine-grained metals are not microstructurally stable enough to accommodate such an event.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computational Fluid Dynamics Using the Adaptive Wavelet-Collocation Method

Advancements to the adaptive wavelet-collocation method over the last decade have opened up a number of new possible areas for active research. Volume penalization techniques allow complex immersed boundary conditions to be used with high efficiency for both internal and external flows. Anisotropic methods make it possible to use body-fitted meshes while still taking advantage of the dynamic adaptability properties wavelet-based methods provide. The parallelization of the approach has made it possible to perform large high-resolution simulations of detonation initiation and fluid instabilities to uncover new physical insights that would otherwise be difficult to discover. Other developments include space-time adaptive methods and nonreflecting boundary conditions. This article summarizes the work performed using the adaptive wavelet-collocation method developed by Vasilyev and coworkers over the past decade.

42 ENGINEERING↗
DOE OSTI2021

Pore-scale CFD simulations of clay mobilization in natural porous media due to fresh water injection

The present work investigates mechanisms of permeability impairment as a result of low-salinity fluid injection into brine-saturated porous media containing dispersible clays. Here, we present a computational fluid dynamics model at the pore-scale to simulate detachment, migration and straining of fine particles in porous media. The model uses an immersed boundary method to simulate the motion of clay fines in a fluid. In addition to the hydrodynamic forces, we model the Derjaguin-Landau-Verwey-Overbeek forces (DLVO) between clay fines and grains. Our simulations show the impact of the injected fluid's salinity and velocity on the concentration of clay fines retained on the grain surface. We see clay particles dislodging from the grain surface in clusters of up to 12 particles. Our simulation results also demonstrate clogging of narrow pore spaces by the detached particles from the grain surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

On the determination of the Hermaean magnetic moment - A critical review

The determination of Mercury's magnetic moment from the spatially and temporally limited observations obtained by the Mariner 10 mission is dependent upon the assumed nature of both the intrinsic planetary magnetic field and that of the magnetospheric current systems. In this paper the methods that have been used for this purpose are reviewed. The results that have been obtained are then considered in comparison with the constraints placed on the planetary field by the solar wind dynamic pressures and stand-off distances inferred from the Mariner 10 magnetic field data by Slavin and Holtzer (1979) which are consistent with an effective dipole moment of 6 + or - 2 x 10 to the 22nd G cu cm. It is found that the models which fit the observations with substantial quadrupole and octupole moments are not consistent with the magnetospheric boundary conditions, presumably owing to incorrect assumptions regarding the magnetopause position, incorrect assumptions regarding solar wind dynamic pressure, and/or averaging over temporal variations in the Mariner 10 data.

Slavin, J. A.↗
DOE OSTI2021

Experimental observation of localized interfacial phonon modes

Interfaces impede heat flow in micro/nanostructured systems. Conventional theories for interfacial thermal transport were derived based on bulk phonon properties of the materials making up the interface without explicitly considering the atomistic interfacial details, which are found critical to correctly describing thermal boundary conductance. Recent theoretical studies predicted the existence of localized phonon modes at the interface which can play an important role in understanding interfacial thermal transport. However, experimental validation is still lacking. Through a combination of Raman spectroscopy and high-energy-resolution electron energy-loss spectroscopy in a scanning transmission electron microscope, we report the experimental observation of localized interfacial phonon modes at ~12 THz at a high-quality epitaxial Si-Ge interface. These modes are further confirmed using molecular dynamics simulations with a high-fidelity neural network interatomic potential, which also yield thermal boundary conductance agreeing well with that measured in time-domain thermoreflectance experiments. Simulations find that the interfacial phonon modes have an obvious contribution to the total thermal boundary conductance. Our findings significantly contribute to the understanding of interfacial thermal transport physics and have impact on engineering thermal boundary conductance at interfaces in applications such as electronics thermal management and thermoelectric energy conversion.

36 MATERIALS SCIENCE↗