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At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

NASA NTRSDate not supplied

Linear Interaction Approximation for the Prediction of Noise Generated by Turbulence/Shock Interactions

In this paper we review the basic development of Linear Interaction Approximation (LIA), a linear inviscid approach to study the interaction of weak turbulence with flow discontinuities, and implement a formulation to calculate the acoustic field due to the incidence of vortical and entropic disturbances on a planar shock. The work is motivated by the observance in nozzles with internal mixers and external plugs of a shock formed by local flow accelerations, even at sub-critical pressure ratios. Exhaust systems with internally mixed/externally plugged nozzles are currently under consideration for use in commercial supersonic aircraft and it is important to have an assessment of the impact of this shock on the noise radiated by these nozzles. Numerical results are presented for the fluctuating pressure emitted by (separate) incident single-wave vorticity and entropy modes and for incident isotropic fields of turbulence and entropy. Further applications of the formulation to the flow fields in internally mixed/externally plugged nozzles, and to the modification of mixing noise sources and the scattering of internally generated noise by the shock, are discussed as future work.

Jet noise, shock waves, aircraft noise↗

NASA NTRSDate not supplied

Linear Interaction Approximation for the Prediction of Noise Generated by Turbulence/Shock Interaction

Jet noise↗

NASA NTRS1991

Elements of radiative interactions in gaseous systems

Basic formulations, analyses, and numerical procedures are presented to study radiative interactions in gray as well as nongray gases under different physical and flow conditions. After preliminary fluid-dynamical considerations, essential governing equations for radiative transport are presented that are applicable under local and nonlocal thermodynamic equilibrium conditions. Auxiliary relations for relaxation times and spectral absorption model are also provided. For specific applications, several simple gaseous systems are analyzed. The first system considered consists of a gas bounded by two parallel plates having the same temperature. For this system, both vibrational nonequilibrium effects and radiation conduction interactions are studied. The second system consists of fully developed laminar flow and heat transfer in a parallel plate duct under the boundary condition of a uniform surface heat flux. For this system, effects of gray surface emittance are studied. With the single exception of a circular geometry, the third system is identical to the second system. Here, the influence of nongray walls is also studied, and a correlation between the parallel plates and circular tube results is presented. The particular gases selected are CO, CO2, H2O, CH4, N2O, NH3, OH, and NO. The temperature and pressure range considered are 300 to 2000 K, and 0.1 to 100 atmosphere, respectively. Illustrative results obtained for different cases are discussed and some specific conclusions are provided.

Tiwari, Surendra N.↗

DOE OSTI2023

Insights into the Solvation Characteristics of Zwitterionic Deep Eutectic Solvents Using Multiple Polarity Scales

Deep eutectic solvents (DESs) formed by mixing zwitterionic hydrogen bond acceptors (HBAs) with diol- and organic acid-based hydrogen bond donors (HBDs) are popular sustainable solvents. In addition to possessing an amphiphilic character, zwitterionic DESs offer unique solvation properties, unlike those composed of halide-containing HBAs. While all other popular classes of DESs have been investigated, no study has attempted to characterize the solvation characteristics of zwitterionic DESs. In this study, the solvation properties of betaine [Bet]-, sulfobetaine-, and l-carnitine [l-Car]-based DESs were thoroughly investigated for the first time using solvatochromic dye methods and inverse gas chromatography (IGC). Herein, the Nile red polarity scale revealed that DESs composed of organic acids were generally more polar than diol-based DESs. Kamlet–Taft solvent parameters revealed that glycerol-based DESs offered exceptionally high hydrogen bond donating ability compared to those composed of 1,4-butane diol and triethylene glycol. The Abraham solvation parameter model revealed hydrogen bond basicity to be the most dominant interaction, and it was generally higher for diol-based HBDs compared to organic acid-based HBDs. Additionally, sulfobetaine HBAs possessing longer alkyl chains generally offered higher dispersive-type interactions and hydrogen bond basicity compared to [Bet] and [l-Car] salts. This is the first study to combine and compare results from solvatochromic dye methods and IGC in an attempt to comprehensively explain and predict the solvation characteristics of zwitterionic DESs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

Some Basic Concepts of Wave-Particle Interactions in Collisionless Plasmas

The physical concepts of wave-particle interactions in a collisionless plasma are developed from first principles. Using the Lorentz force, starting with the concepts of gyromotion, particle mirroring and the loss-cone, normal and anomalous cyclotron resonant interactions, pitch-angle scattering, and cross-field diffusion are developed.

wave-particle interactions Plasmas↗

DOE OSTI2025

Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations

The MS2 bacteriophage capsid serves as a model system for studying viral structure and function. Mature MS2 virus consists of 178 capsid proteins and a single maturation protein (MP), which is essential for host receptor binding and infection initiation. Despite its critical role, the dynamic behavior of the capsid with the MP remains poorly understood. To address this, we conducted 0.5 µs all-atom molecular dynamics (MD) simulations of the MS2 capsid with and without the MP, revealing key insights into its structural dynamics. Our simulations showed that MP exhibits high flexibility, particularly in the “tip” and “side-loop” regions, which undergo significant motions that likely enhance its ability to engage with the F-pilus receptor. Detailed analysis of MP conformational states revealed that loop rearrangements around H357 enable transient switching between “semi-closed” and “open” conformations, suggesting a conformational selection mechanism for pilus binding. Additionally, ion interaction analyses revealed distinct sodium and chloride binding patterns, where sodium ions were mostly found at the outer capsid shell, while chloride ions interacted with the basic residues on the RNA-facing side. We also found that the presence of the MP enhances salt-bridge interactions, contributing to increased capsid stability, yet it does not significantly alter the pore sizes of pentameric and hexameric units. Together, these findings provide new insights into the functional role of the MP, highlighting its contribution to capsid stability and host receptor engagement. This study offers a foundation for understanding capsid dynamics relevant to viral infectivity and may guide future rational strategies aimed at disrupting host-virus interactions.

Capsid stability↗

DOE OSTI2023

Basic helix-loop-helix pioneer factors interact with the histone octamer to invade nucleosomes and generate nucleosome-depleted regions

Not Available

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1993

Supersonic shock wave/vortex interaction

Although shock wave/vortex interaction is a basic and important fluid dynamics problem, very little research has been conducted on this topic. Therefore, a detailed experimental study of the interaction between a supersonic streamwise turbulent vortex and a shock wave was carried out at the Penn State Gas Dynamics Laboratory. A vortex is produced by replaceable swirl vanes located upstream of the throat of various converging-diverging nozzles. The supersonic vortex is then injected into either a coflowing supersonic stream or ambient air. The structure of the isolated vortex is investigated in a supersonic wind tunnel using miniature, fast-response, five-hole and total temperature probes and in a free jet using laser Doppler velocimetry. The cases tested have unit Reynolds numbers in excess of 25 million per meter, axial Mach numbers ranging from 2.5 to 4.0, and peak tangential Mach numbers from 0 (i.e., a pure jet) to about 0.7. The results show that the typical supersonic wake-like vortex consists of a non-isentropic, rotational core, where the reduced circulation distribution is self similar, and an outer isentropic, irrotational region. The vortex core is also a region of significant turbulent fluctuations. Radial profiles of turbulent kinetic energy and axial-tangential Reynolds stress are presented. The interactions between the vortex and both oblique and normal shock waves are investigated using nonintrusive optical diagnostics (i.e. schlieren, planar laser scattering, and laser Doppler velocimetry). Of the various types, two Mach 2.5 overexpanded-nozzle Mach disc interactions are examined in detail. Below a certain vortex strength, a 'weak' interaction exists in which the normal shock is perturbed locally into an unsteady 'bubble' shock near the vortex axis, but vortex breakdown (i.e., a stagnation point) does not occur. For stronger vortices, a random unsteady 'strong' interaction results that causes vortex breakdown. The vortex core reforms downstream of the rear stagnation point, and the reduced circulation distribution once again becomes self-similar in this region. A-new model of this interaction is proposed. Finally, a curve defining the approximate limits of supersonic vortex breakdown is presented.

Settles, G. S.↗

DOE OSTI2021

Assessing subtle variations in the actinyl oxo reactivity through characterization of neptunyl complexes. Final Report

Formation of the actinyl cation, [An(V,VI)O 2 ] n+ (n = 1,2), imparts unique chemical properties to the lighter actinide elements (U, Np, and Pu) that has yet to be fully understood. The axial O atoms (oxo) of the [An(VI)O 2 ] 2+ are considered weak Lewis bases that exhibit only meager interact with other metal cations and regarded as poor hydrogen acceptors for nearby water molecules. Oxo atoms of [An(V)O 2 ] + should engage in stronger bonding interactions due to a higher degree of Lewis basicity, but the actual interactions have yet to be fully explored. Intermolecular interactions can impact radionuclide separations, corrosion of spent fuel, and mobility of actinides in environmental systems; there is, therefore, a critical need to understand how the subtle difference in electronic properties of the An(V) and An(VI) metal center influence actinyl chemistry. The objective of this proposal was to determine the chemical components that influence the intermolecular interactions occurring between neptunyl ([Np(V)O 2 ] + and [Np(VI)O 2 ] 2+ ) cations and neighboring species. My overall hypothesis was that the intermolecular attraction that occurs between the neptunyl oxo atoms and neighboring species (H atoms, low-valent cations, actinyl cations) is primarily controlled by the electronic properties of the actinyl cation, but can be further influenced by the electron donating properties of the equatorial ligands. The hypothesis was tested through the following research objectives: (1) Determine the fundamental differences in H-bonding between Np(V)O 2+ and Np(VI)O 2 2+ and neighboring donor molecules; (2) Identify the major differences in bonding between low-valence metal cations and neptunyl oxo groups, and (3) Assess the impact of the equatorial ligand on the formation of cation-cation interactions within molecular species. Major outcomes of the research include: (1) More precisely identifying oxo interactions (actinyl-cation; actinyl-actinyl, actinyl-hydrogen) and the factors that impact the vibrational modes for actinyl cation; (2) Identification of H-bonding modes for the [An(V,VI)O 2 ] n+ (n = 1,2), with direct H-bonding interactions to the oxo group of the Np(V)O 2+ cation more prevalent than in hexavalent species and recognition of the importance of H-bonding networks, that can impart bond asymmetry and activation of vibrational modes with the actinyl moiety; (3) Delineation of the importance of charge density for engaging the cation-oxo interaction for both pentavalent and hexavalent species; (4) Determining the importance of sterics and ligand binding in formation of specific actinyl-actinyl interactions and the resulting vibrational modes associated with this bonding motify and (5) Understanding how the functionalization of the ligand can impact redox stability of neptunyl cations. Deliverables from this work include 11 peer-reviewed manuscripts and 13 (including six by graduate students) oral/poster presentations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1991

Z-Basic algorithm for collision avoidance system

A Z-Basic prediction algorithm for an aircraft ground-based collision avoidance system is presented. This system searches for mutually overlapping prediction intervals that are influenced by the aircrafts' maneuver capabilities and surveillance accuracy. Z-Basic provides a powerful, fast, interactive, simple to use, and inexpensive Basic compiler. The algorithm is applied to a typical terminal airspace situation. The computer program was executed on Macintosh+, and the execution was less than one minute. The program is easy to understand and implement.

Dear, Roger G.↗

DOE OSTI2021

Getting back to the grass roots: harnessing specialized metabolites for improved crop stress resilience

Roots remain understudied as the site of complex and important biological interactions mediating plant productivity. In grain and bioenergy crops, grass root specialized metabolites (GRSM) are central to key interactions, yet our basic knowledge of the chemical language remains fragmentary. Continued improvements in plant genome assembly and metabolomics are enabling large-scale advances in the discovery of specialized metabolic pathways as a means of regulating root-biotic interactions. Metabolomics, transcript coexpression analyses, forward genetic studies, gene synthesis and heterologous expression assays drive efficient pathway discoveries. Functional genetic variants identified through genome wide analyses, targeted CRISPR/Cas9 approaches, and both native and non-native overexpression studies critically inform novel strategies for bioengineering metabolic pathways to improve plant traits.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

mRNA bound to the 30S subunit is a HigB toxin substrate

Activation of bacterial toxins during stress results in cleavage of mRNAs in the context of the ribosome. These toxins are thought to function as global translational inhibitors yet recent studies suggest each may have distinct mRNA specificities that result in selective translation for bacterial survival. Here we demonstrate that mRNA in the context of a bacterial 30S subunit is sufficient for ribosome-dependent toxin HigB endonucleolytic activity, suggesting that HigB interferes with the initiation step of translation. We determined the X-ray crystal structure of HigB bound to the 30S, revealing that two solvent-exposed clusters of HigB basic residues directly interact with 30S 16S rRNA helices 18, 30, and 31. We further show that these HigB residues are essential for ribosome recognition and function. Comparison with other ribosome-dependent toxins RelE and YoeB reveals that each interacts with similar features of the 30S aminoacyl (A) site yet does so through presentation of diverse structural motifs.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1977

Viscid-inviscid interaction associated with incompressible flow past wedges at high Reynolds number

An analytical method is suggested for the study of the viscid inviscid interaction associated with incompressible flow past wedges with arbitrary angles. It is shown that the determination of the nearly constant pressure (base pressure) prevailing within the near wake is really the heart of the problem, and the pressure can only be established from these interactive considerations. The basic free streamline flow field is established through two discrete parameters which adequately describe the inviscid flow around the body and the wake. The viscous flow processes such as the boundary layer buildup, turbulent jet mixing, and recompression are individually analyzed and attached to the inviscid flow in the sense of the boundary layer concept. The interaction between the viscous and inviscid streams is properly displayed by the fact that the aforementioned discrete parameters needed for the inviscid flow are determined by the viscous flow condition at the point of reattachment. It is found that the reattachment point behaves as a saddle point singularity for the system of equations describing the recompressive viscous flow processes, and this behavior is exploited for the establishment of the overall flow field. Detailed results such as the base pressure, pressure distributions on the wedge, and the geometry of the wake are determined as functions of the wedge angle.

Warpinski, N. R.↗

DOE OSTI2025

Measuring Solvation Interactions of Deep Eutectic Solvents Formed by Metal Chlorides and an Imidazolium Salt by Inverse Gas Chromatography

Deep eutectic solvents (DESs) represent a class of solvents that offer a number of advantages including minimal toxicity, affordability, low vapor pressure, and simple, environmentally friendly preparation methods. They have found utility in areas, such as gas absorption, metal plating, and extractions. However, the relationship between their solvation properties and chemical composition remains poorly understood. In this study, a broad range of Type I DESs composed of metal chlorides and an imidazolium salt were prepared, employed as gas chromatographic stationary phases, and characterized using the Abraham solvation parameter model by inverse gas chromatography. The Abraham solvation parameter model allows for the study of DES solvation properties and the effects of varying structural components on system constants using a linear-free energy relationship. The DESs were investigated by systematically varying their composition, including the type of metal chloride and the molar ratio between the metal chloride and the imidazolium salt. The results show that hydrogen bond acidity, hydrogen bond basicity, and dipolarity/polarizability interactions are strongly influenced by the type of metal chloride within the DES and the ratio of metal chloride to imidazolium salt in the eutectic mixture. Furthermore, a column pretreatment procedure is presented that enables the effective coating of highly polar DESs onto open tubular capillary gas chromatography columns.

deep eutectic solvent↗

DOE OSTI2021

Shrinkage-induced deformations and creep of structural concrete: 1-year measurements and numerical prediction

Highlights: • Extensive experimental study on drying shrinkage, creep and microcracking of concrete • All specimens prepared from a single batch of ordinary-strength structural concrete • 1st year of measurements of (not only) non-uniformly drying beams with span up to 3-m • The database is downloadable from free-to-use research data repository • Modified MPS model for concrete creep used in blind prediction of all experiments The material models for creep and shrinkage operating on the material point level in FEM are usually intended for challenging complex applications and structures, where the average cross-sectional approach does not suffice. The identification of the growing number of material parameters induced by increasing model capabilities relies on very specific and narrow-oriented yet interconnected experiments which are scarce. The presented comprehensive experiments aim to provide a clearer image of the complicated interaction among the basic phenomena: drying, shrinkage, creep, and microcracking. The cornerstone of this ongoing research is a unique set of 30 partially-sealed unreinforced concrete beams with span 1.75–3.0 m subjected to drying. To minimize material variation, all specimens in this study were cast from a single batch of ordinary strength structural concrete with slag-blended binder. The resulting experimental database will be suitable both for validation and development of the constitutive models.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Numerical studies of interacting vortices

To get a basic understanding of the physics of flowfields modeled by vortex filaments with finite vortical cores, systematic numerical studies of the interactions of two dimensional vortices and pairs of coaxial axisymmetric circular vortex rings were made. Finite difference solutions of the unsteady incompressible Navier-Stokes equations were carried out using vorticity and stream function as primary variables. Special emphasis was placed on the formulation of appropriate boundary conditions necessary for the calculations in a finite computational domain. Numerical results illustrate the interaction of vortex filaments, demonstrate when and how they merge with each other, and establish the region of validity for an asymptotic analysis.

Liu, G. C.↗

NASA NTRS1986

Numerical studies of interacting vortices

To get a basic understanding of the physics of flowfields modeled by vortex filaments with finite vortical cores, systematic numerical studies of the interactions of two vortices and pairs of coaxial axisymmetric circular vortex rings were made. Finite difference solutions of the unsteady incompressible Navier-Stokes equations were carried out using vorticity and stream function as primary variables. Special emphasis was placed on the formulation of appropriate boundary conditions necessary for the calculations in a finite computational domain. Numerical results illustrate the interaction of vortex filaments, demonstrate when and how they merge with each other, and establish the region of validity for an asymptotic analysis.

Liu, G. C.↗

DOE OSTI2012

Molecular Mechanism for Inhibition of G Protein-Coupled Receptor Kinase 2 by a Selective RNA Aptamer

Cardiovascular homeostasis is maintained in part by the rapid desensitization of activated heptahelical receptors that have been phosphorylated by G protein-coupled receptor kinase 2 (GRK2). However, during chronic heart failure GRK2 is upregulated and believed to contribute to disease progression. We have determined crystallographic structures of GRK2 bound to an RNA aptamer that potently and selectively inhibits kinase activity. Key to the mechanism of inhibition is the positioning of an adenine nucleotide into the ATP-binding pocket and interactions with the basic {alpha}F-{alpha}G loop region of the GRK2 kinase domain. Constraints imposed on the RNA by the terminal stem of the aptamer also play a role. These results highlight how a high-affinity aptamer can be used to selectively trap a novel conformational state of a protein kinase.

59 BASIC BIOLOGICAL SCIENCES↗