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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Code for Multiblock CFD and Heat-Transfer Computations

The NASA Glenn Research Center General Multi-Block Navier-Stokes Convective Heat Transfer Code, Glenn-HT, has been used extensively to predict heat transfer and fluid flow for a variety of steady gas turbine engine problems. Recently, the Glenn-HT code has been completely rewritten in Fortran 90/95, a more object-oriented language that allows programmers to create code that is more modular and makes more efficient use of data structures. The new implementation takes full advantage of the capabilities of the Fortran 90/95 programming language. As a result, the Glenn-HT code now provides dynamic memory allocation, modular design, and unsteady flow capability. This allows for the heat-transfer analysis of a full turbine stage. The code has been demonstrated for an unsteady inflow condition, and gridding efforts have been initiated for a full turbine stage unsteady calculation. This analysis will be the first to simultaneously include the effects of rotation, blade interaction, film cooling, and tip clearance with recessed tip on turbine heat transfer and cooling performance. Future plans call for the application of the new Glenn-HT code to a range of gas turbine engine problems of current interest to the heat-transfer community. The new unsteady flow capability will allow researchers to predict the effect of unsteady flow phenomena upon the convective heat transfer of turbine blades and vanes. Work will also continue on the development of conjugate heat-transfer capability in the code, where simultaneous solution of convective and conductive heat-transfer domains is accomplished. Finally, advanced turbulence and fluid flow models and automatic gridding techniques are being developed that will be applied to the Glenn-HT code and solution process.

Fabian, John C.↗
DOE OSTI2015

Use of Solvatochromism to Assay Preferential Solvation of a Prototypic Catalytic Site

The composition of the reaction medium near photoactive catalytic sites can be inferred from the solvatochromism of the absorption and emission spectra of the wetted sites, which depend on the polarizability of the fluid. In brief, solvatochromism measures the interaction of the dipole moments of the ground and excited states with the electric field imposed by the solvent shell: a field, which does not relax on the time scale of the absorption or emission events. As a first step in establishing the utility of the technique for inorganic catalysts that operate in complex reaction media, such as encountered in the upgrading of biogenic fuels, we have measured the solvatochromism of a common, structural feature of metal oxide catalysts. In toluene, cyclohexene, chloroform and tetrahydrofuran, POSS-ligated oxometalates exhibit strong ligand-to-metal charge-transfer bands in their UV-visible absorption and emission spectra. The magnitudes of the solvatochromic effects agreed well with the calculated changes in dipole moments that accompany the electronic transitions. From the solvatochromism of the chromophores dissolved in toluene-chloroform mixtures we inferred an unexpectedly strong, preferential solvation of the chromophore even when all three components (oxometalate and the two solvents) were highly miscible. This research was supported in part by the Laboratory Directed Research & Development program at Pacific Northwest National Laboratory. PNNL is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830. A portion of the research was performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL.

chromium↗
DOE OSTI2021

Mono- and bilayer smectic liquid crystal ordering in dense solutions of “gapped” DNA duplexes

Significance Liquid crystalline behavior of DNA has been studied for decades, yet only recently has one of the most fundamental liquid crystal phases—the smectic phase in which rod-like objects assemble into stacks of fluid layers—been demonstrated in this system. Here, we describe distinct bilayer and monolayer smectic phases in solutions of “gapped” DNA (GDNA), consisting of two DNA duplexes connected by a single strand. The smectic order is amphotropic (sensitive to temperature as well as concentration), and the layer structure is stable against significant perturbations of the GDNA construct (e.g., “gap” length variation and asymmetry in duplex lengths). The temperature sensitivity may provide a means to compare end-to-end interaction strengths between DNA duplexes at biologically relevant concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vidyut3d: A Non-Equilibrium Plasma Modeling Tool [SWR-24-101]

Vidyut3d is a massively-parallel plasma-fluid solver for low-temperature plasmas (LTPs) that supports both local field (LFA) and local mean energy (LMEA) approximations, as well as complex gas and surface-phase chemistry. The solver supports 2D and 3D domains, and uses AMReX's adaptive mesh refinement capabilities to increase the grid resolution around complex structures (e.g. streamer heads and sheaths) while maintaining a tractable problem size. Vidyut specializes in simulating various types of gas-phase discharges, as well as plasma/surface interactions and surface chemistry (e.g. for plasma-mediated catalysis applications). The solver also supports hybrid CPU/GPU parallelization strategies, and has demonstrated excellent scaling on various HPC architectures for problem sizes consisting of O(100 M) control volumes.

Sitaraman, Hariswaran↗
DOE OSTI2016

Anisotropy and probe-medium interactions in the microrheology of nematic fluids.

A theoretical formalism is presented to analyze and interpret microrheology experiments in anisotropic fluids with nematic order. The predictions of that approach are examined in the context of a simple coarse-grained molecular model which is simulated using nonequilibrium molecular dynamics calculations. The proposed formalism is used to study the effect of confinement, the type of anchoring at the probe-particle surface, and the strength of the nematic field on the rheological response functions obtained from probe-particle active microrheology. As expected, a stronger nematic field leads to increased anisotropy in the rheological response of the material. It is also found that the defect structures that arise around the probe particle, which are determined by the type of anchoring and the particle size, have a significant effect on the rheological response observed in microrheology simulations. Independent estimates of the bulk dynamic modulus of the model nematic fluid considered here are obtained from small-amplitude oscillatory shear simulations with Lees Edwards boundary conditions. The results of simulations indicate that the dynamic modulus extracted from particle-probe microrheology is different from that obtained in the absence of the particle, but that the differences decrease as the size of the defect also decreases. Importantly, the results of the nematic microrheology theory proposed here are in much closer agreement with simulations than those from earlier formalisms conceived for isotropic fluids. As such, it is anticipated that the theoretical framework advanced in this study could provide a useful tool for interpretation of microrheology experiments in systems such as liquid crystals and confined macromolecular solutions or gels.

Cordoba, Andres↗
NASA NTRS1994

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗
DOE OSTI2023

Experimental measurement of the effective contact angle for solvent/packing interactions in a structured packed column for CO 2 capture

The contact angle is a critical factor for determining the effective mass transfer area for carbon dioxide (CO 2 ) capture via the chemical absorption process in a packed column, and thus the overall capture efficiency of the packed column. Many widely used commercial packings involve microscale features (perforation, corrugation, etc.) that may also affect the wetting behavior. This study proposes a systematic method of using a modified Wilhelmy plate to measure the effective contact angle to characterize the solvent and featured packing interaction. In lieu of computational efforts relying on assumptions guided by semi-informed correlation, the proposed method directly measures the effective contact angle as a function of the solvent and packing thermophysical and hydrodynamic properties. The characterization of the effective contact angle is then integrated in the computational fluid dynamics modeling to reduce uncertainty in the prediction of effective mas transfer area. Experiments were conducted for stainless steel coupons using water and aqueous sodium hydroxide (NaOH) solvent for verification of the proposed experimental protocol. The surface tension of the aqueous NaOH solvent was altered using surfactant and antifoam. The effective contact angle increases with the increased value of the surface tension for flat stainless steel sheets. On the other hand, effective contact angles do not vary in Mellapak coupons for aqueous monoethanolamine (MEA) and NaOH solvent. In this case, surface textures and sheet design play a dominant role in the surface tension of solvents. Furthermore, CO 2 loading has a significant effect on the contact angle for Mellapak coupons. As expected, the contact angle decreases with the increasing temperature of CO 2 capture solvents (MEA, EEMPA). The effective contact angle measurement using the Wilhelmy plate method can provide more accurate and efficient solvents for characterizing the solvent-packing surface interactions. Subsequently, the present method enhances the accuracy of the prediction of the effective mass transfer area in carbon capture by solvent absorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Fluid-solid transition in simple systems using density functional theory

A free energy functional for a crystal which contains both the symmetry-conserved and symmetry-broken parts of the direct pair correlation function has been used to investigate the fluid-solid transition in systems interacting via purely repulsive Weeks-Chandler-Anderson Lennard–Jones potential and the full Lennard–Jones potential. The results found for freezing parameters for the fluid-face centred cubic crystal transition are in very good agreement with simulation results. It is shown that although the contribution made by the symmetry broken part to the grand thermodynamic potential at the freezing point is small compared to that of the symmetry conserving part, its role is crucial in stabilizing the crystalline structure and on values of the freezing parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

MHD Analysis of Dual-Coolant Lead-Lithium Blanket for Spherical Tokamak Advanced Reactor

The tritium breeding blanket is vital for future fusion power plants, with the Spherical Tokamak Advanced Reactor (STAR) project highlighting the dual-coolant lead-lithium (DCLL) design. The DCLL blanket performs shielding, energy exhaust, and tritium breeding using a lead-lithium alloy , with lithium as the breeder and lead as the neutron multiplier. It also serves as the primary coolant, with helium providing supplemental cooling. Reduced-activation ferritic/martensitic steel is used for the blanket structure. Magnetohydrodynamic (MHD) phenomena influence the liquid metal flow in a magnetic field, affecting heat transfer in the breeder affected by energetic neutrons. Understanding key flow parameters in such conditions is critical for efficient DCLL design. This study uses three-dimensional thermofluid MHD analysis with ANSYS CFX software, modified at Princeton Plasma Physics Laboratory, to simulate high Hartmann flows. The neutronics code MCNP, coupled with plasma equilibrium, provides heat source distribution. In conclusion, we examine electromagnetic interactions in adjacent fluid domains and analyze the magnetic field’s impact on flow distribution in the inboard and outboard blanket layout, using detailed mesh generation for accurate results.

DCLL↗
DOE OSTI2022

Uncovering translation roadblocks during the development of a synthetic tRNA

Ribosomes are remarkable in their malleability to accept diverse aminoacyl-tRNA substrates from both the same organism and other organisms or domains of life. This is a critical feature of the ribosome that allows the use of orthogonal translation systems for genetic code expansion. Optimization of these orthogonal translation systems generally involves focusing on the compatibility of the tRNA, aminoacyl-tRNA synthetase, and a non-canonical amino acid with each other. As we expand the diversity of tRNAs used to include non-canonical structures, the question arises as to the tRNA suitability on the ribosome. Specifically, we investigated the ribosomal translation of allo-tRNA UTu1 , a uniquely shaped (9/3) tRNA exploited for site-specific selenocysteine insertion, using single-molecule fluorescence. With this technique we identified ribosomal disassembly occurring from translocation of allo-tRNA UTu1 from the A to the P site. Using cryo-EM to capture the tRNA on the ribosome, we pinpointed a distinct tertiary interaction preventing fluid translocation. Through a single nucleotide mutation, we disrupted this tertiary interaction and relieved the translation roadblock. With the continued diversification of genetic code expansion, our work highlights a targeted approach to optimize translation by distinct tRNAs as they move through the ribosome.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Heat Transfer and Fluid Mechanics Institute, Meeting, 26th, Washington State University, Pullman, Wash., June 26-28, 1978, Proceedings

Papers are presented on the heat transfer and fluid mechanics in energy systems including diesel combustion analysis using rapid sampling and the numerical simulation of thermal response of architectural structures. Experiments associated with hypersonic boundary layers, the prediction of nozzle-wall pressure distribution, and the effects of nozzle geometry on an axisymmetric thrust augmentor are outlined. Predictions are made of film thickness on a roll-metering device and the thermal characteristics of multiple-surface submerged condenser modules are described. Numerical studies are made of the interaction between natural and forced convection in a complex geometry and of pressure drop and holdup in two-phase stratified flow. A numerical solution is given for viscous flows at high Reynolds numbers and for compressible boundary layer flows near separation or reattachment. The structure and transport properties in turbulent shear flows are reviewed along with the spectra of Reynolds stresses in a developing pipe flow.

Crowe, C. T.↗
NASA NTRS1999

Development of Optical Diagnostic Techniques for Microgravity Materials Processing

Materials processing including crystal growth, either under a gravity environment on ground or a microgravity environment in space, involves complicated phenomena of fluid motions in gas or liquid phases as well as interaction of various species. To obtain important physical insight, it is very necessary to provide gross-field optical diagnostics for monitoring various physical properties. Materials processing inhibits easy access by ordinary instruments and thus characterizing gross-field physical properties is very challenging. Typical properties of importance can be fluid velocity, temperature, and species concentration for fluids, and surface topology and defects for solids. Observing surface grow rate during crystal growth is also important. Material microstructures, i.e., integrity of crystal structures, is strongly influenced by the existence of thermally-induced flow as well as local nucleation of particles during solidification, which may act in many detrimental ways. In both ground-based and microgravity experiments, the nature of product property changes resulting from three-dimensional fluid or particle motions need be characterized. Gross-field diagnostics is thus required to identify their effects on product defects and process deficiencies. The quantitative visualization techniques can also be used for validation of numerical modeling. For optical nonintrusive gross-field diagnostic techniques, two approaches were developed as summer projects. One optical approach allows us to provide information of species concentration and temperature for monitoring in real time. The other approach, that is, the concept which is formulated for detection of surface topography measurement can provide unprecedented spatial resolution during crystal growth.

Cha, Soyoung Stephen↗
NASA NTRS1997

Simulation of Rotary-Wing Near-Wake Vortex Structures Using Navier-Stokes CFD Methods

This paper will use high-resolution Navier-Stokes computational fluid dynamics (CFD) simulations to model the near-wake vortex roll-up behind rotor blades. The locations and strengths of the trailing vortices will be determined from newly-developed visualization and analysis software tools applied to the CFD solutions. Computational results for rotor nearwake vortices will be used to study the near-wake vortex roll up for highly-twisted tiltrotor blades. These rotor blades typically have combinations of positive and negative spanwise loading and complex vortex wake interactions. Results of the computational studies will be compared to vortex-lattice wake models that are frequently used in rotorcraft comprehensive codes. Information from these comparisons will be used to improve the rotor wake models in the Tilt-Rotor Acoustic Code (TRAC) portion of NASA's Short Haul Civil Transport program (SHCT). Accurate modeling of the rotor wake is an important part of this program and crucial to the successful design of future civil tiltrotor aircraft. The rotor wake system plays an important role in blade-vortex interaction noise, a major problem for all rotorcraft including tiltrotors.

Kenwright, David↗
DOE OSTI2017

Effect of anisotropic thermal transport on the resistive plasma response to resonant magnetic perturbation field

Plasma response to the resonant magnetic perturbation (RMP) field is numerically investigated by an extended toroidal fluid model, which includes anisotropic thermal transport physics parallel and perpendicular to the total magnetic field. The thermal transport is found to be effective in eliminating the toroidal average curvature induced plasma screening (the so called Glasser-Green-Johnson, GGJ screening) at slow toroidal flow regime, whilst having minor effect on modifying the conventional plasma screening regimes at faster flow. Furthermore, this physics effect of interaction between thermal transport and GGJ screening is attributed to the modification of the radial structure of the shielding current, resulted from the plasma response to the applied field. The modification of the plasma response (shielding current, response field, plasma displacement and the perturbed velocity) also has direct consequence on the toroidal torques produced by RMP. These modelling results show that thermal transport reduces the resonant electromagnetic torque as well as the torque associated with the Reynolds stress, but enhances the neoclassical toroidal viscous torque at slow plasma flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

High Explosive Detonation–Confiner Interactions

The primary purpose of a detonation in a high explosive (HE) is to provide the energy to drive a surrounding confiner, typically for mining or munitions applications. The details of the interaction between an HE detonation and its confinement are essential to achieving the objectives of the explosive device. For the high pressures induced by detonation loading, both the solid HE and confiner materials will flow. The structure and speed of a propagating detonation, and ultimately the pressures generated in the reaction zone to drive the confiner, depend on the induced flow both within the confiner and along the HE–confiner material interface. The detonation–confiner interactions are heavily influenced by the material properties and, in some cases, the thickness of the confiner. This review discusses the use of oblique shock polar analysis as a means of characterizing the possible range of detonation–confiner interactions. Computations that reveal the fluid mechanics of HE detonation–confiner interactions for finite reaction-zone length detonations are discussed and compared with the polar analysis. Furthermore this includes cases of supersonic confiner flow; subsonic, shock-driven confiner flow; subsonic, but shockless confiner flow; and sonic flow at the intersection of the detonation shock and confiner material interface. We also summarize recent developments, including the effects of geometry and porous material confinement, on detonation–confiner interactions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners

Geothermal plays in extensional and transtensional tectonic environments have long been a major target in the exploration of geothermal resources and the Dixie Valley area has served as a classic natural laboratory for this type of geothermal plays. In recent years, the interactions between normal faults and strike-slip faults, acting either as strain relay zones have attracted significant interest in geothermal exploration as they commonly result in fault-controlled dilational corners with enhanced fracture permeability and thus have the potential to host blind geothermal prospects. Structural ambiguity, complications in fault linkage, etc. often make the selection for geothermal exploration drilling targets complicated and risky. Though simplistic, the three main ingredients of a viable utility-grade geothermal resource are heat, fluids, and permeability. Our new geological mapping and fault kinematic analysis derived a structural model suggest a two-stage structural evolution with (a) middle Miocene N -S trending normal faults (faults cutting across the modern range), - and tiling Olio-Miocene volcanic and sedimentary sequences (similar in style to East Range and S Stillwater Range). NE-trending range-front normal faulting initiated during the Pliocene and are both truncating N-S trending normal faults and reactivating some former normal faults in a right-lateral fashion. Thus the two main fundamental differences to previous structural models are (1) N-S trending faults are pre-existing middle Miocene normal faults and (2) these faults are reactivated in a right-later fashion (NOT left-lateral) and kinematically linked to the younger NE-trending range-bounding normal faults (Pliocene in age). More importantly, this study provides the first constraints on transient fluid flow through the novel application of apatite (U-Th)/He (AHe) and 4 He/ 3 He thermochronometry in the geothermally active Dixie Valley area in Nevada.

(U-Th)/He↗
NASA NTRS1995

Time-dependent MHD modeling of the global structure of the heliosphere

We present results from time-dependent modeling of the global structure of the heliosphere with neutral and magnetic field effects included. The magnetic field is assumed parallel to the interstellar flow in this two-dimensional axisymmetric model; the neutrals are treated as a fluid. The effects of interstellar neutrals and the interplanetary magnetic field on the location of the termination shock are studied using the most recent estimate of the interstellar medium parameters, results will be compared to those of Baranov and Zaitsev. The effect of the solar wind - VLISM interaction on the density and velocity of interstellar neutrals within the heliosphere will also be presented and related to observations. The response of the termination shock to the solar cycle variation in the solar wind will be compared to the response found previously using an axisymmetric hydrodynamic model without neutrals.

Liewer, P. C.↗
NASA NTRS2001

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗