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Results for “BASIC INTERACTIONS”

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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Radiative interactions in molecular gases under local and nonlocal thermodynamic equilibrium conditions

Basic formulations, analyses, and numerical procedures are presented to investigate radiative heat interactions in diatomic and polyatomic gases under local and nonlocal thermodynamic equilibrium conditions. Essential governing equations are presented for both gray and nongray gases. Information is provided on absorption models, relaxation times, and transfer equations. Radiative flux equations are developed which are applicable under local and nonlocal thermodynamic equilibrium conditions. The problem is solved for fully developed laminar incompressible flows between two parallel plates under the boundary condition of a uniform surface heat flux. For specific applications, three diatomic and three polyatomic gases are considered. The results are obtained numerically by employing the method of variation of parameters. The results are compared under local and nonlocal thermodynamic equilibrium conditions at different temperature and pressure conditions. Both gray and nongray studies are conducted extensively for all molecular gases considered. The particular gases selected for this investigation are CO, NO, OH, CO2, H2O, and CH4. The temperature and pressure range considered are 300-2000 K and 0.1-10 atmosphere, respectively. In general, results demonstrate that the gray gas approximation overestimates the effect of radiative interaction for all conditions. The conditions of NLTE, however, result in underestimation of radiative interactions. The method developed for this study can be extended to solve complex problems of radiative heat transfer involving nonequilibrium phenomena.

Tiwari, S. N.↗
NASA NTRS1987

Heuristic control of the Utah/MIT dextrous robot hand

Basic hand grips and sensor interactions that a dextrous robot hand will need as part of the operation of an EVA Retriever are analyzed. What is to be done with a dextrous robot hand is examined along with how such a complex machine might be controlled. It was assumed throughout that an anthropomorphic robot hand should perform tasks just as a human would; i.e., the most efficient approach to developing control strategies for the hand would be to model actual hand actions and do the same tasks in the same ways. Therefore, basic hand grips that human hands perform, as well as hand grip action were analyzed. It was also important to examine what is termed sensor fusion. This is the integration of various disparate sensor feedback paths. These feedback paths can be spatially and temporally separated, as well as, of different sensor types. Neural networks are seen as a means of integrating these varied sensor inputs and types. Basic heuristics of hand actions and grips were developed. These heuristics offer promise of control dextrous robot hands in a more natural and efficient way.

Bass, Andrew H., Jr.↗
NASA NTRS1990

Paired and interacting galaxies: Conference summary

The author gives a summary of the conference proceedings. The conference began with the presentation of the basic data sets on pairs, groups, and interacting galaxies with the latter being further discussed with respect to both global properties and properties of the galactic nuclei. Then followed the theory, modelling and interpretation using analytic techniques, simulations and general modelling for spirals and ellipticals, starbursts and active galactic nuclei. Before the conference the author wrote down the three questions concerning pairs, groups and interacting galaxies that he hoped would be answered at the meeting: (1) How do they form, including the role of initial conditions, the importance of subclustering, the evolution of groups to compact groups, and the fate of compact groups; (2) How do they evolve, including issues such as relevant timescales, the role of halos and the problem of overmerging, the triggering and enhancement of star formation and activity in the galactic nuclei, and the relative importance of dwarf versus giant encounters; and (3) Are they important, including the frequency of pairs and interactions, whether merging and interactions are very important aspects of the life of a normal galaxy at formation, during its evolution, in forming bars, shells, rings, bulges, etc., and in the formation and evolution of active galaxies? Where possible he focuses on these three central issues in the summary.

Norman, Colin A.↗
DOE OSTI2016

Review of Aerosol–Cloud Interactions: Mechanisms, Significance, and Challenges

Over the past decade, the number of studies that investigate aerosol-cloud interactions has increased considerably. Although tremendous progress has been made to improve our understanding of basic physical mechanisms of aerosol-cloud interactions and reduce their uncertainties in climate forcing, we are still in poor understanding of (1) some of the mechanisms that interact with each other over multiple spatial and temporal scales, (2) the feedback between microphysical and dynamical processes and between local-scale processes and large-scale circulations, and (3) the significance of cloud-aerosol interactions on weather systems as well as regional and global climate. This review focuses on recent theoretical studies and important mechanisms on aerosol-cloud interactions, and discusses the significances of aerosol impacts on raditative forcing and precipitation extremes associated with different cloud systems. Despite significant understanding has been gained about aerosol impacts on the main cloud types, there are still many unknowns especially associated with various deep convective systems. Therefore, large efforts are needed to escalate our understanding. Future directions should focus on obtaining concurrent measurements of aerosol properties, cloud microphysical and dynamic properties over a range of temporal and spatial scales collected over typical climate regimes and closure studies, as well as improving understanding and parameterizations of cloud microphysics such as ice nucleation, mixed-phase properties, and hydrometeor size and fall speed

Fan, Jiwen↗
DOE OSTI2020

Membrane stiffness and myelin basic protein binding strength as molecular origin of multiple sclerosis

Myelin basic protein (MBP) and its interaction with lipids of the myelin sheath plays an important part in the pathology of multiple sclerosis (MS). Previous studies observed that changes in the myelin lipid composition lead to instabilities and enhanced local curvature of MBP-lipid multilayer structures. We investigated the molecular origin of the instability and found that the diseased lipid membrane has a 25% lower bending rigidity, thus destabilizing smooth >1µm curvature radius structures such as in giant unilamellar vesicles. MBP-mediated assembling of lipid bilayers proceeds in two steps, with a slow second step occurring over many days where native lipid membranes assemble into well-defined multilayer structures, whereas diseased lipid membranes form folded assemblies with high local curvature. For both native and diseased lipid mixtures we find that MBP forms dense liquid phases on top of the lipid membranes mediating attractive membrane interactions. Furthermore, we observe MBP to insert into its bilayer leaflet side in case of the diseased lipid mixture, whereas there is no insertion for the native mixture. Insertion increases the local membrane curvature, and could be caused by a decrease of the sphingomyelin content of the diseased lipid mixture. These findings can help to open a pathway to remyelination strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Next-Generation Sequencing for Binary Protein–Protein Interactions

The yeast two-hybrid (Y2H) system exploits host cell genetics in order to display binary protein–protein interactions (PPIs) via defined and selectable phenotypes. Numerous improvements have been made to this method, adapting the screening principle for diverse applications, including drug discovery and the scale-up for proteome wide interaction screens in human and other organisms. Here we discuss a systematic workflow and analysis scheme for screening data generated by Y2H and related assays that includes high-throughput selection procedures, readout of comprehensive results via next-generation sequencing (NGS), and the interpretation of interaction data via quantitative statistics. The novel assays and tools will serve the broader scientific community to harness the power of NGS technology to address PPI networks in health and disease. We discuss examples of how this next-generation platform can be applied to address specific questions in diverse fields of biology and medicine.

quantitative interaction profiles↗
DOE OSTI2014

A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere

We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Gamma-Ray Interactions for Reachback Analysts

This presentation is a part of the DHS LSS spectroscopy training course and presents an overview of the following concepts: identification and measurement of gamma rays; use of gamma counts and energies in research. Understanding the basic physics of how gamma rays interact with matter can clarify how certain features in a spectrum were produced.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Continuation of full-scale three-dimensional numerical experiments on high-intensity particle and laser beam-matter interactions

We present results from the grant entitled, Continuation of full-scale three-dimensional numerical experiments on high-intensity particle and laser beam-matter interactions. The research significantly advanced the understanding of basic high-energy density science (HEDS) on ultra intense laser and particle beam plasma interactions. This advancement in understanding was then used to to aid in the quest to make 1 GeV to 500 GeV plasma based accelerator stages. The work blended basic research with three-dimensions fully nonlinear and fully kinetic simulations including full-scale modeling of ongoing or planned experiments. The primary tool was three-dimensional particle-in-cell simulations. The simulations provided a test bed for theoretical ideas and models as well as a method to guide experiments. The research also included careful benchmarking of codes against experiment. High-fidelity full-scale modeling provided a means to extrapolate parameters into regimes that were not accessible to current or near term experiments, thereby allowing concepts to be tested with confidence before tens to hundreds of millions of dollars were spent building facilities. The research allowed the development of a hierarchy of PIC codes and diagnostics that is one of the most advanced in the world.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Opportunities for Undergraduate Research in Nuclear Physics

University of Dallas (UD) physics majors are offered a variety of undergraduate research opportunities in nuclear physics through an established program at the University of Kentucky Accelerator Laboratory (UKAL). The 7-MV Model CN Van de Graaff accelerator and the neutron production and detection facilities located there are used by UD students to investigate how neutrons scatter from materials that are important in nuclear energy production and for our basic understanding of how neutrons interact with matter. Recent student projects include modeling of the laboratory using the neutron transport code MCNP to investigate the effectiveness of laboratory shielding, testing the long-term gain stability of C 6 D 6 liquid scintillation detectors, and deducing neutron elastic and inelastic scattering cross sections for 12 C. Finally, results of these student projects are presented that indicate the pit below the scattering area reduces background by as much as 30%; the detectors show no significant gain instabilities; and new insights into existing 12 C neutron inelastic scattering cross-section discrepancies near a neutron energy of 6.0 MeV are obtained.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

HIV-1 tat protein recruits CIS to the cytoplasmic tail of CD127 to induce receptor ubiquitination and proteasomal degradation

HIV-1 Tat protein down regulates expression of the IL-7 receptor alpha-chain (CD127) from the surface of CD8 T cells resulting in impaired T cell proliferation and cytolytic capacity. We have previously shown that soluble Tat protein is taken up by CD8 T cells and interacts with the cytoplasmic tail of CD127 to induce receptor degradation. The N-terminal domain of Tat interacts with CD127 while the basic domain directs CD127 to the proteasome. We have also shown that upon IL-7 binding to its receptor, CD127 is phosphorylated resulting in CIS-mediated proteasomal degradation. Here, we show that Tat mimics this process by recruiting CIS to CD127 in the absence of IL-7 and receptor phosphorylation, leading to CD127 ubiquitination and degradation. Tat therefore acts as an adapter to induce cellular responses under conditions where they may not otherwise occur. Thusly, Tat reduces IL-7 signaling and impairs CD8 T cell survival and function. -- Highlights: •Soluble HIV-1 Tat decreases CD127 expression on CD8 T cells, causing dysfunction. •Tat induces CD127 ubiquitination without activating IL-7 signaling. •Tat binds CD127 and recruits the E3 ubiquitin ligase CIS via its basic domain. •Tat hijacks a normal cellular mechanism to degrade CD127 without IL-7 signaling.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Polarizability Plays a Decisive Role in Modulating Association between Molecular Cations and Anions

Electrostatic interactions involving proteins depend on not only the ionic charges involved but also their chemical identities. Here we examine the origins of incompletely understood differences in the strength of association of different pairs of monovalent molecular ions that are relevant to protein–protein and protein–ligand interactions. Cationic analogues of the basic amino acid side chains are simulated, along with oxyanionic analogues of cation-exchange ligands and acidic amino acids. Experimentally observed association trends with respect to the cations, but not anions, are captured by a nonpolarizable model. An effective continuum correction to account for electronic polarizability can capture both trends better but at the expense of fidelity to the underlying free energy landscape for ion-pair association. Finally, a polarizable model proves decisive in capturing experimentally suggested trends with respect to both cations and anions; critically, the free energy landscape for ion-pair association is itself altered, thus altering configurational sampling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Basic data of ions in He-air mixtures for fluid modeling of low temperature plasma jets

The basic ion data such as interaction potential parameters, elastic and inelastic collision cross sections, transport coefficients (reduced mobility and diffusion coefficients) and reaction coefficients have been analysed and determined for the case of He{sup +}, N{sub 2}{sup +}, and O{sub 2}{sup +} in He-dry air mixtures. The ion transport and reaction coefficients have been determined from an optimized Monte Carlo simulation using calculated elastic and experimentally fitted inelastic collision cross sections. The elastic momentum transfer cross sections have been calculated from a semi-classical JWKB (Jeffreys Wentzel Kramers Brillouin) approximation based on a (6-4) rigid core interaction potential model. The inelastic cross sections have been fitted using the measured reaction coefficients, such as, for instance, the non resonant charge transfer coefficients. The cross section sets involving elastic and inelastic processes were then validated using either the measured reduced mobility whenever available in the literature or the zero-field mobility calculated from Satoh's relation, and potential parameters available in the literature. From the sets of elastic and inelastic collision cross sections thus obtained for the first time for He{sup +}/N{sub 2}, He{sup +}/O{sub 2}, N{sub 2}{sup +}/He, and O{sub 2}{sup +}/He systems, the ion transport and reaction coefficients were calculated in the pure gases over a wide range of the density reduced electric field E/N. Then, from the present cross section and other literature sets, the ion mobility and the longitudinal and transverse diffusion coefficients were calculated for different concentrations of air in He in the case of He{sup +}, N{sub 2}{sup +}, O{sub 2}{sup +}, and also O{sup -} ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Understanding trends in lithium binding at two-dimensional materials

Layered structure and peculiar electronic properties of two-dimensional (2D) materials foster the concept of utilizing them as main components of lithium-ion batteries. Understanding basic physical mechanisms governing the interaction of Li with 2D crystals is of key importance to succeeding in a rational design of cathode and anode materials with superior functionalities. In this study density functional theory was applied to reveal the microscopic picture of Li interaction with 15 2D crystals, including several transition metal oxides and dichalcogenides, carbides of Group XIV elements, functionalized graphene, silicene, and germanene, as well as black phosphorus and Ti2C MXene. We found that the general trend in Li binding can be estimated from positions of conduction band minima of 2D materials, since the energy of the lowest empty electronic states shows a nice correlation with the strength of Li adsorption. At variance to the majority of studied surfaces where the electron transferred from Li is spread across the substrate, in monolayers of carbides of Group XIV elements the interaction with Li and the charge transfer are well localized. This gives rise to their capability to accommodate Li structures with a nearly constant binding energy of alkaline atoms over Li coverages ranging from well-separated adatoms to a full monolayer. © 2018 American Physical Society.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth

Lectins have been used at length for basic research and clinical applications. New insights into the molecular recognition properties enhance our basic understanding of carbohydrate–protein interactions and aid in the design/development of new lectins. In this study, we used a combination of cell‐based assays, glycan microarrays, and X‐ray crystallography to evaluate the structure and function of the recombinant Bauhinia forficata lectin (BfL). The lectin was shown to be cytostatic for several cancer cell lines included in the NCI ‐60 panel; in particular, it inhibited growth of melanoma cancer cells ( LOX IMVI ) by over 95%. BfL is dimeric in solution and highly specific for binding of oligosaccharides and glycopeptides with terminal N ‐acetylgalactosamine (Gal NA c). BfL was found to have especially strong binding (apparent K d = 0.5–1.0 n m ) to the tumor‐associated Tn antigen. High‐resolution crystal structures were determined for the ligand‐free lectin, as well as for its complexes with three Tn glycopeptides, globotetraose, and the blood group A antigen. Extensive analysis of the eight crystal structures and comparison to structures of related lectins revealed several unique features of Gal NA c recognition. Of special note, the carboxylate group of Glu126, lining the glycan‐binding pocket, forms H‐bonds with both the N ‐acetyl of Gal NA c and the peptide amido group of Tn antigens. Stabilization provided by Glu126 is described here for the first time for any Gal NA c‐specific lectin. Taken together, the results provide new insights into the molecular recognition of carbohydrates and provide a structural understanding that will enable rational engineering of BfL for a variety of applications. Database Structural data are available in the PDB under the accession numbers 5T50 , 5T52 , 5T55 , 5T54 , 5T5L , 5T5J , 5T5P , and 5T5O .

Lubkowski, Jacek↗