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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 343 records · Page 19

Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wave interactions in a three-dimensional attachment line boundary layer

The 3-D boundary layer on a swept wing can support different types of hydrodynamic instability. Attention is focused on the so-called spanwise contamination problem, which occurs when the attachment line boundary layer on the leading edge becomes unstable to Tollmien-Schlichting waves. In order to gain insight into the interactions important in that problem, a simplified basic state is considered. This simplified flow corresponds to the swept attachment line boundary layer on an infinite flat plate. The basic flow here is an exact solution of the Navier-Stokes equations and its stability to 2-D waves propagating along the attachment can be considered exactly at finite Reynolds number. This has been done in the linear and weakly nonlinear regimes. The corresponding problem is studied for oblique waves and their interaction with 2-D waves is investigated. In fact, oblique modes cannot be described exactly at finite Reynolds number so it is necessary to make a high Reynolds number approximation and use triple deck theory. It is shown that there are two types of oblique wave which, if excited, cause the destabilization of the 2-D mode and the breakdown of the disturbed flow at a finite distance from the leading edge. First, a low frequency mode related to the viscous stationary crossflow mode is a possible cause of breakdown. Second, a class of oblique wave with frequency comparable with that of the 2-D mode is another cause of breakdown. It is shown that the relative importance of the modes depends on the distance from the attachment line.

Hall, Philip↗

Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

We develop a physically-motivated assignment of symmetry adapted perturbation theory for intermolecular interactions (SAPT) into atom-pairwise contributions (the A-SAPT partition). The basic precept of A-SAPT is that the many-body interaction energy components are computed normally under the formalism of SAPT, following which a spatially-localized two-body quasiparticle interaction is extracted from the many-body interaction terms. For electrostatics and induction source terms, the relevant quasiparticles are atoms, which are obtained in this work through the iterative stockholder analysis (ISA) procedure. For the exchange, induction response, and dispersion terms, the relevant quasiparticles are local occupied orbitals, which are obtained in this work through the Pipek-Mezey procedure. The local orbital atomic charges obtained from ISA additionally allow the terms involving local orbitals to be assigned in an atom-pairwise manner. Further summation over the atoms of one or the other monomer allows for a chemically intuitive visualization of the contribution of each atom and interaction component to the overall noncovalent interaction strength. Herein, we present the intuitive development and mathematical form for A-SAPT applied in the SAPT0 approximation (the A-SAPT0 partition). We also provide an efficient series of algorithms for the computation of the A-SAPT0 partition with essentially the same computational cost as the corresponding SAPT0 decomposition. We probe the sensitivity of the A-SAPT0 partition to the ISA grid and convergence parameter, orbital localization metric, and induction coupling treatment, and recommend a set of practical choices which closes the definition of the A-SAPT0 partition. We demonstrate the utility and computational tractability of the A-SAPT0 partition in the context of side-on cation-π interactions and the intercalation of DNA by proflavine. A-SAPT0 clearly shows the key processes in these complicated noncovalent interactions, in systems with up to 220 atoms and 2845 basis functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical simulation of nonlinear interactions in channel and boundary-layer transition

The basic numerical techniques used for the direct simulation of transition to turbulence are described. Applications are presented for the computation of finite amplitude, two-dimensional steady states, the simulation of the secondary instability of channels and boundary-layers, and the simulation of the breakdown of detached shear layers.

Zang, T. A.↗

Advanced interactive display formats for terminal area traffic control

The basic design considerations for perspective Air Traffic Control displays are described. A software framework has been developed for manual viewing parameter setting (MVPS) in preparation for continued, ongoing developments on automated viewing parameter setting (AVPS) schemes. The MVPS system is based on indirect manipulation of the viewing parameters. Requests for changes in viewing parameter setting are entered manually by the operator by moving viewing parameter manipulation pointers on the screen. The motion of these pointers, which are an integral part of the 3-D scene, is limited to the boundaries of screen. This arrangement has been chosen, in order to preserve the correspondence between the new and the old viewing parameter setting, a feature which contributes to preventing spatial disorientation of the operator. For all viewing operations, e.g. rotation, translation and ranging, the actual change is executed automatically by the system, through gradual transitions with an exponentially damped, sinusoidal velocity profile, in this work referred to as 'slewing' motions. The slewing functions, which eliminate discontinuities in the viewing parameter changes, are designed primarily for enhancing the operator's impression that he, or she, is dealing with an actually existing physical system, rather than an abstract computer generated scene. Current, ongoing efforts deal with the development of automated viewing parameter setting schemes. These schemes employ an optimization strategy, aimed at identifying the best possible vantage point, from which the Air Traffic Control scene can be viewed, for a given traffic situation.

Grunwald, Arthur J.↗

A telemedicine health care delivery system

The Interactive Telemedicine Systems (ITS) system was specifically developed to address the ever widening gap between our medical care expertise and our medical care delivery system. The frustrating reality is that as our knowledge of how to diagnose and treat medical conditions has continued to advance, the system to deliver that care has remained in an embryonic stage. This has resulted in millions of people being denied their most basic health care needs. Telemedicine utilizes an interactive video system integrated with biomedical telemetry that allows a physician at a base station specialty medical complex or teaching hospital to examine and treat a patient at multiple satellite locations, such as rural hospitals, ambulatory health centers, correctional institutions, facilities caring for the elderly, community hospital emergency departments, or international health facilities. Based on the interactive nature of the system design, the consulting physician at the base station can do a complete history and physical examination, as if the patient at the satellite site was sitting in the physician's office. This system is described.

Sanders, Jay H.↗

Structure and expression of a novel compact myelin protein – Small VCP-interacting protein (SVIP)

Highlights: •SVIP (small p97/VCP-interacting protein) co-localizes with myelin basic protein (MBP) in compact myelin. •We determined that SVIP is an intrinsically disordered protein (IDP). •The helical content of SVIP increases dramatically during its interaction with negatively charged lipid membrane. •This study provides structural insight into interactions between SVIP and myelin membranes. -- Abstract: SVIP (small p97/VCP-interacting protein) was initially identified as one of many cofactors regulating the valosin containing protein (VCP), an AAA+ ATPase involved in endoplasmic-reticulum-associated protein degradation (ERAD). Our previous study showed that SVIP is expressed exclusively in the nervous system. In the present study, SVIP and VCP were seen to be co-localized in neuronal cell bodies. Interestingly, we also observed that SVIP co-localizes with myelin basic protein (MBP) in compact myelin, where VCP was absent. Furthermore, using nuclear magnetic resonance (NMR) and circular dichroism (CD) spectroscopic measurements, we determined that SVIP is an intrinsically disordered protein (IDP). However, upon binding to the surface of membranes containing a net negative charge, the helical content of SVIP increases dramatically. These findings provide structural insight into interactions between SVIP and myelin membranes.

60 APPLIED LIFE SCIENCES↗

Overview of Large Helical Device experiments of basic plasma physics for solving crucial issues in reaching burning plasma conditions

Recently, experiments on basic plasma physics issues for solving future problems in fusion energy have been performed on a Large Helical Device. There are several problems to be solved in future devices for fusion energy. Emerging issues in burning plasma are: alpha-channeling (ion heating by alpha particles), turbulence and transport in electron dominant heating helium ash exhaust, reduction of the divertor heat load. To solve these problems, understanding the basic plasma physics of (1) wave–particle interaction through (inverse) Landau damping, (2) characteristics of electron-scale (high-k) turbulence, (3) ion mixing and the isotope effect, and (4) turbulence spreading and detachment, is necessary. This overview discusses the experimental studies on these issues and turbulent transport in multi-ion plasma and other issues in the appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The fully nonlinear development of Goertler vortices in growing boundary layers

The fully nonlinear development of small wavelength Goertler vortices in a growing boundary layer is investigated using a combination of asymptotic and numerical methods. The starting point for the analysis is the weakly nonlinear theory of Hall (1982b) who discussed the initial development of small amplitude vortices in a neighborhood of the location where they first become linearly unstable. That development is unusual in the context of nonlinear stability theory in that it is not described by the Stuart-Watson approach. In fact the development is governed by a pair of coupled nonlinear partial differential evolution equations for the vortex flow and the mean flow correction. Here the further development of this interaction is considered for vortices so large that the mean flow correction driven by them is as large as the basic state. Surprisingly it is found that such a nonlinear interaction can still be described by asymptotic means. It is shown that the vortices spread out across the boundary layer and effectively drive the boundary layer. In fact the system obtained by writing down the equations for the fundamental component of the vortex generate a differential equation for the basic state. Thus the mean flow adjusts so as to make these large amplitude vortices locally neutral. Moreover in the region where the vortices exist the mean flow has a square-root profile and the vortex velocity field can be written down in closed form. The upper and lower boundaries of the region of vortex activity are determined by a free-boundary problem involving the boundary layer equations. In general it is found that this region ultimately includes almost all of the original boundary layer and much of the free-stream. In this situation the mean flow has essentially no relationship to the flow which exists in the absence of the vortices.

Hall, Philip↗

Light in the shadows: primordial black holes making dark matter shine

We consider the possibility of indirect detection of dark sector processes by investigating a novel form of interaction between ambient dark matter (DM) and primordial black holes (PBHs). The basic scenario we envisage is that the ambient DM is “dormant”, i.e., it has interactions with the SM, but its potential for an associated SM signal is not realized for various reasons. We argue that the presence of PBHs with active Hawking radiation (independent of any DM considerations) can act as a catalyst in this regard by overcoming the aforementioned bottlenecks. The central point is that PBHs radiate all types of particles, whether in the standard model (SM) or beyond (BSM), which have a mass at or below their Hawking temperature. The emission of such radiation is “democratic” (up to the particle spin), since it is based on a coupling of sorts of gravitational origin. In particular, such shining of (possibly dark sector) particles onto ambient DM can then activate the latter into giving potentially observable SM signals. We illustrate this general mechanism with two specific models. First, we consider asymmetric DM, which is characterized by an absence of ambient anti-DM, and consequently the absence of DM indirect detection signals. In this case, PBHs can “resurrect” such a signal by radiating anti-DM, which then annihilates with ambient DM in order to give SM particles such as photons. In our second example, we consider the PBH emission of dark gauge bosons which can excite ambient DM into a heavier state (which is, again, not ambient otherwise), this heavier state later decays back into DM and photons. Finally, we demonstrate that we can obtain observable signals of these BSM models from asteroid-mass PBHs (Hawking radiating currently with ~ $ \mathcal{O}\left(\textrm{MeV}\right) $ temperatures) at gamma-ray experiments such as AMEGO-X.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modulating solvation interactions of deep eutectic solvents formed by ammonium salts and carboxylic acids through varying the molar ratio of hydrogen bond donor and acceptor

Deep eutectic solvents (DESs) have gained increasing popularity in separation science due to the fact that their physico-chemical properties can be easily fine-tuned by varying the type or ratio of hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD). While it is well-known that the molar ratio of HBA/HBD affects the melting point of a eutectic mixture, much less is understood regarding its effect on the magnitude of individual solvation interactions. This is largely due to the fact that established solvatochromic dye methods lack sensitivity when the HBA/HBD ratio is varied slightly in a eutectic mixture. Herein, this study is the first to measure the variation of DES solvation interactions with small changes in the molar ratio of HBA/HBD using inverse gas chromatography (IGC). Solute-solvent interactions of three different DES systems comprised of ammonium salts and organic acids were examined. The probe molecules were studied for 18 eutectic mixtures of varied HBA and HBD composition. We report DES hydrogen bond basicity, hydrogen bond acidity, and dispersive-type interactions exhibited the greatest change when the molar ratio of HBA/HBD was varied in the eutectic mixture. Results from this study demonstrate that the HBA/HBD ratio can be used to modulate the solvation characteristics for this class of DESs in separations and that the stoichiometric ratio of the HBA/HBD is important in ensuring their reproducible preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Foundational Human-Autonomy Teaming Research and Development in Scalable Remotely Operated Advanced Air Mobility Operations: Research Model and Initial Work

To achieve the scalability envisioned for many Advanced Air Mobility (AAM) applications, uncrewed aerial system (UAS) concepts are being pursued with the goal of enabling fewer human operators to manage more increasingly autonomous vehicles. NASA’s Transformational Tools and Technologies – Revolutionary Aviation Mobility (T3-RAM) subproject has identified human-autonomy teaming (HAT) as a critical area of research required to support these operations. Under T3-RAM, the HAT Foundational Research Activity has been tasked with providing basic research to identify HAT and human-automation interaction (HAI) principles that can be used to achieve scalable multi-vehicle UAS operations. This paper first outlines a research model to produce ecologically relevant basic research, then contextualizes completed and planned research and development activities within this model. Proposed research threads are presented, along with their practical and theoretical implications.

Human-Autonomy Teaming↗

Visible signatures of the multi-step transition to a beam-plasma-dicharge

Observations are presented of the beam-plasma-discharge (BPD) at pressures below 4 x 10 to the -6th Torr, which show that there are three abrupt transitions in the beam-plasma interactions. The low-current A1 state (the basic beam with its noded configuration), is dominated by direct collisional ionization of the background gas. In the A2 state (the noded beam surounded by a weak halo), the ionization is supplemented by another mechanism which perhaps involves cyclotron interactions. The B and C states are distinctly separate forms of the BPD which involve a convective redistribution of beam energy as indicated by the changes in the beam nodes. The B and C states are also found to involve enhancements of between 20-100 in the power dissipation by ionization. Thus, in a 20 m pathlength, it is found that approximately 1-4 percent of the beam power is dissipated by the ionization associated with the BPD.

Hallinan, T. J.↗

African Swine Fever Virus Protein–Protein Interaction Prediction

The African swine fever virus (ASFV) is an often deadly disease in swine and poses a threat to swine livestock and swine producers. With its complex genome containing more than 150 coding regions, developing effective vaccines for this virus remains a challenge due to a lack of basic knowledge about viral protein function and protein–protein interactions between viral proteins and between viral and host proteins. In this work, we identified ASFV-ASFV protein–protein interactions (PPIs) using artificial intelligence-powered protein structure prediction tools. We benchmarked our PPI identification workflow on the Vaccinia virus, a widely studied nucleocytoplasmic large DNA virus, and found that it could identify gold-standard PPIs that have been validated in vitro in a genome-wide computational screening. We applied this workflow to more than 18,000 pairwise combinations of ASFV proteins and were able to identify seventeen novel PPIs, many of which have corroborating experimental or bioinformatic evidence for their protein–protein interactions, further validating their relevance. Two protein–protein interactions, I267L and I8L, I267L__I8L, and B175L and DP79L, B175L__DP79L, are novel PPIs involving viral proteins known to modulate host immune response.

59 BASIC BIOLOGICAL SCIENCES↗

A magnetohydrodynamic model of the interaction of the solar wind with the Jovian magnetosphere and a magnetohydrodynamic simulation of the interaction of the solar wind with the out flowing plasma from a comet

A three-dimensional code for a rapidly rotating magnetosphere in which the MHD equations and the Maxwell equations were solved by using the two step Lax Endroff scheme, was developed. Preliminary results were presented at the Fall AGU meeting in San Francisco. The basic simulation model to study the solar wind interactions was adapted to other bodies in addition to Jupiter. Because of the recent comet flybys, a comet was chosen as the first model. The aim was to model the formation of the contact surface and the plasma tail. Later, work was begun on a three-dimensional model which would include the effects of mass loading. This model was designed to study the weak cometary bow shocks observed by the probes to comets Halley and Giacobini-Zinner. The model was successful in reproducing the position and shape of the bow shock which was determined by using observations from the Suisei spacecraft.

Walker, R. J.↗

Microfluidic Devices for Studying Biomolecular Interactions

Microfluidic devices for monitoring biomolecular interactions have been invented. These devices are basically highly miniaturized liquid-chromatography columns. They are intended to be prototypes of miniature analytical devices of the laboratory on a chip type that could be fabricated rapidly and inexpensively and that, because of their small sizes, would yield analytical results from very small amounts of expensive analytes (typically, proteins). Other advantages to be gained by this scaling down of liquid-chromatography columns may include increases in resolution and speed, decreases in the consumption of reagents, and the possibility of performing multiple simultaneous and highly integrated analyses by use of multiple devices of this type, each possibly containing multiple parallel analytical microchannels. The principle of operation is the same as that of a macroscopic liquid-chromatography column: The column is a channel packed with particles, upon which are immobilized molecules of the protein of interest (or one of the proteins of interest if there are more than one). Starting at a known time, a solution or suspension containing molecules of the protein or other substance of interest is pumped into the channel at its inlet. The liquid emerging from the outlet of the channel is monitored to detect the molecules of the dissolved or suspended substance(s). The time that it takes these molecules to flow from the inlet to the outlet is a measure of the degree of interaction between the immobilized and the dissolved or suspended molecules. Depending on the precise natures of the molecules, this measure can be used for diverse purposes: examples include screening for solution conditions that favor crystallization of proteins, screening for interactions between drugs and proteins, and determining the functions of biomolecules.

Wilson, Wilbur W.↗

Colloidal Disorder-Order Transition Experiment Probes Particle Interactions in Microgravity

Everything in the universe is made up of the same basic building blocks - atoms. All physical properties of matter such as weight, hardness, and color are determined by the kind of atoms present and the way they interact with each other. The Colloidal Disorder-Order Transition (CDOT) shuttle flight experiment tested fundamental theories that model atomic interactions. The experiment was part of the Second United States Microgravity Laboratory (USML-2) aboard the Space Shuttle Columbia, which flew from October 20 to November 5, 1995.

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