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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

NanoMechanics: Elasticity and Friction in Nano‐Objects

A large scientific and technological effort is underway to investigate the properties of two‐dimensional (2D) materials to become building blocks in integrated nano‐electronic and photonic circuits, composites, coatings, energy harvesting nano‐ systems, nano‐sensors, and nano‐electro‐mechanical systems (NEMS).While several experiments and calculations have revealed exciting novel phenomena in these nanostructures, many scientific and technological questions remain open. In particular, understanding and controlling the structure and mechanical properties of 2D materials at the interface with a solid surface is of key importance to enable the aforementioned nanotechnologies, as well as to fulfill the potential of strain engineering to tailor their properties. The vision of this DoE research program was to investigate novel mechanical properties and phenomena in 1D and 2D materials with the overarching goal of defining a new basic understanding of mechanical behavior in nano and quantum systems. The group of the PI has developed in the last years several studies on the mechanical properties of Carbon nanotubes and oxide nanobelts, more recently the PI has focused her attention on the properties of two‐dimensional materials, such as graphene and MoS 2 , which are a few‐atomic‐layer thick films and hold a great potential for technological and energy applications. The most studied 2D material is graphene, existing as a single layer of graphite or a few‐layer thick epitaxial graphene film. Graphene possesses a large in‐plane Young’s modulus as well as high intrinsic carrier mobility, and high in‐plane thermal conductivity. Besides graphene, also 2D films of graphene oxide (GO), hexagonal Boron Nitride (h‐BN), and transition metal dichalcogenides such as MoS 2 exhibit unique and excellent properties and hold great promise for nanotechnology applications. This research program was aimed at developing a new basic understanding of the mechanical properties of 1D and 2D materials at the interface with solid substrates, with a focus on the role of defects, materials structure, and substrate interaction. Ultimately, we aimed at developing the basic knowledge and experimental tools for manipulating 1D and 2D materials’ structure, stacking, substrate interaction, defects, and number of layers to realize an entirely new class of ultra‐hard, ultra‐thin, and ultra‐light active materials with ad‐ hoc mechanical properties for a variety of applications.

2D Materials↗
DOE OSTI2011

Magnetic Properties of Fe{sub x}Mn{sub 1-x}In{sub 2}S{sub 4} Alloy Single Crystals

This study concerns the magnetic properties of single crystals of Fe{sub x}Mn{sub 1-x}In{sub 2}S{sub 4} alloys. The basically antiferromagnetic character of indirect exchange interactions between Fe{sup 2+} and Mn{sup 2+} cations is established. As the concentration of Fe{sup 2+} cations is increased, the magnetic ordering temperature increases from {approx}12 K (x = 0) to {approx}22 K (x = 1). Short-range-order ferromagnetic correlations are observed. The basic magnetic phase state of the alloys is the spin glass state, with the freezing temperature increasing from {approx}5 K (x = 0) to {approx}12 K (x = 1). As the external magnetic field is increased, the magnetic ordering temperature slightly decreases. The most probable causes and mechanisms of formation of the magnetic state of the alloys are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hot Electron Scaling and Energy Coupling In Nonlinear Laser Plasma Interactions

Energy conversion from high power lasers to energetic hot electrons is a fundamental phenomenon in laser-plasma interactions. At laser intensities above a few times 10 14 W/cm 2 , nonlinear laser-plasma interactions lead to the generation of hot electrons with a broad energy distribution at typical temperatures of 10’s – 100’s kilo-electron-volt (keV). The fraction of laser energy transferred to hot electrons, their energy distribution and energy coupling efficiency to the targets are strongly affected by the laser intensity, wavelength and the plasma condition. Most investigations to date that are related to the fusion of high-energy-density laboratory plasmas (HEDLP) are carried out with relatively moderate laser intensity and lower laser wavelength to minimize hot electron generation, as electron preheating can degrade the fuel assembly. An alternative fusion scheme known as shock ignition (SI) has been proposed, requiring a high intensity spike pulse at the end of a fuel assembly phase to generate a strong shock to ignite the fuel. An initial shock pressure of 0.3 Gbar is required for ignition-scale targets using the SI scheme, requiring a relatively high on-target laser intensity of 5-10X10 15 W/cm 2 for the spike pulse. At such intensities, copious hot electrons can be produced by laser-plasma-instabilities (LPI), e.g., Stimulated Raman Scattering (SRS) and Two-Plasmon Decay (TPD). While very energetic electrons (>200 keV) could preheat the fuel, electrons with moderate energies may actually be beneficial for the SI scheme. Electrons in the 50-100 keV range can be stopped in the compressed high-density outer ablator layer leading to an increase in the ignitor shock strength and therefore enhancing overall efficiency in the SI scheme. Considering this importance of total energy and temperature of hot electrons, it is necessary to understand the LPI in the SI high intensity regime. Characterizing the hot electron source and energy coupling is key to investigating the viability of the SI concept. The overall goal of the HEDLP award was to perform a detailed study of the scaling of hot electron generation and energy coupling on high power laser systems, with intensity, wavelength, and target ablator material relevant to the nonlinear laser-plasma interaction at SI relevant conditions. This was a collaborative project between the Center for Energy Research at the University of California, San Diego (UCSD) and General Atomics. The experiment was performed at the Omega Laser Facility at the Laboratory for Laser Energetics (LLE) in the University of Rochester. Specific objectives of the work were to: understand the basic physics of laser-plasma interactions and instabilities at high laser intensities (up to 10 17 W/cm 2 ) and the effects of low-Z ablator materials and laser wavelengths (IR pulse at 1.054 µm versus UV pulse at 0.351 µm) and intensity scaling, fully characterize the resultant hot electron energy distribution, validate hot electron energy deposition via collisional and kinetic processes in the target and the induced shocks in support of electron-assisted SI concept.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

The human role in space: Technology, economics and optimization

Man-machine interactions in space are explored in detail. The role and the degree of direct involvement of humans that will be required in future space missions are investigated. An attempt is made to establish valid criteria for allocating functional activities between humans and machines and to provide insight into the technological requirements, economics, and benefits of the human presence in space. Six basic categories of man-machine interactions are considered: manual, supported, augmented, teleoperated, supervised, and independent. Appendices are included which provide human capability data, project analyses, activity timeline profiles and data sheets for 37 generic activities, support equipment and human capabilities required in these activities, and cumulative costs as a function of activity for seven man-machine modes.

Hall, S. B.↗
DOE OSTI2012

Fundamental hydrogen interactions with beryllium: a magnetic fusion perspective

Increasingly, basic models such as density functional theory and molecular dynamics are being used to simulate different aspects of hydrogen recycling from plasma facing materials. These models provide valuable insight into hydrogen diffusion, trapping, and recombination from surfaces, but their validation relies on knowledge of the detailed behavior of hydrogen at an atomic scale. Despite being the first wall material for ITER, basic single crystal beryllium surfaces have been studied only sparsely from an experimental standpoint. In prior cases researchers used electron spectroscopy to examine surface reconstruction or adsorption kinetics during exposure to a hydrogen atmosphere. While valuable, these approaches lack the ability to directly detect the positioning of hydrogen on the surface. Ion beam techniques, such as low energy ion scattering (LEIS) and direct recoil spectroscopy (DRS), are two of the only experimental approaches capable of providing this information. In this study, we applied both LEIS and DRS to examine how hydrogen binds to the Be(0001) surface. Our measurements were performed using an angle-resolved ion energy spectrometer (ARIES) to probe the surface with low energy ions (500 eV - 3 keV He + and Ne + ). We were able to obtain a 'scattering maps' of the crystal surface, providing insight on how low energy ions are focused along open surface channels. Once we completed a characterization of the clean surface, we dosed the sample with atomic hydrogen using a heated tungsten capillary. A distinct signal associated with adsorbed hydrogen emerged that was consistent with hydrogen residing between atom rows. To aid in the interpretation of the experimental results, we developed a computational model to simulate ion scattering at grazing incidence. For this purpose, we incorporated a simplified surface model into the Kalypso molecular dynamics code. This approach allowed us to understand how the incident ions interacted with the surface hydrogen, providing confirmation of the preferred binding site.

08 HYDROGEN↗
DOE OSTI2019

Bringing Molecular Dynamics Simulation Data into View

Molecular Dynamics (MD) simulations monitor time-resolved motions of macromolecules. While visualization of MD trajectories allows an instant and intuitive understanding of dynamics and function, so far mainly static representations are provided in published literature. Recent advances in browser technology may allow for the sharing of trajectories through interactive visualization on the web. We believe that by providing intuitive and interactive visualization along with related protocols and analysis data promotes understanding, reliability, and re-usability of MD simulations. Existing barriers for sharing MD simulations are discussed and emerging solutions are highlighted. We predict that interactive visualization of MD trajectories will quickly be adopted by researchers, research consortiums, journals, and funding agencies to gather and distribute results from MD simulations via the web.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Two regimes of self-consistent heating of charged particles

An experimental illustration of the transition between two basic transport regimes for wave-particle interaction is reported. A striking feature is that chaos, although present in both regimes, does not need to be invoked to explain the observed behavior. This experimental realization for a theoretical paradigm opens the possibility to check the validity of basic models, as is normally required in physics. Indeed, among seemingly simple problems exhibiting complex behavior is the classical interaction of an electron with electrostatic waves. Launching a low-intensity electron beam in a Traveling Wave Tube (TWT) recently allowed observing the real-world consequences of the richness of the electron trajectory. Here we show that self-consistent effects are nevertheless acting on a modulated test electron beam through the collective excitation of beam modes. The transition between two different particle transport regimes (stochastic diffusion in a set of waves and slow chaos associated to a pulsating separatrix) is directly measured by increasing the amplitude of the excitation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

The role of electron-electron interaction in the process of charge-carrier capture in deep quantum wells

The role of electron-electron interaction in the process of electron capture to a deep quantum well is investigated. Using two-level and three-level quantum wells as examples, the basic electron-capture mechanisms, i.e., the interaction with optical phonons and the Coulomb electron-electron interaction, are considered, and the corresponding capture probabilities and electron lifetimes are calculated. The effect of Auger recombination on the charge-carrier distribution in a quantum well is also taken into account. With this taken into consideration, a set of rate equations is solved for a nonsteady-state mode, and the time dependences of the electron concentration at the ground energy level in the quantum well are found. The contributions of each of the recombination processes under consideration are shown.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1974

A comparison between theory and experiments on non-linear three-wave interactions in plasmas

Quantitative comparisons between theory and experiments on non-linear three-wave interactions in a nearly homogeneous plasma are presented in this paper. First, the theoretical spatial behaviour of signal and idler waves excited by a large amplitude pump wave is predicted, with damping of all waves included. These results are then specialized to allow detailed quantitative comparisons to be made with available experimental data on parametrically excited ion-acoustic waves. Where good agreement is obtained, the comparison indicates further measurements required to verify more completely the basic theory of three-wave interactions in plasmas. Where wide disagreement is obtained, the comparison indicates possible directions in which the theory might be improved.

Peng, Y.-K. M.↗
NASA NTRS1990

On the instability of hypersonic flow past a flat plate

The instability of hypersonic boundary-layer flows over flat plates is considered. The viscosity of the fluid is taken to be governed by Sutherland's law, which gives a much more accurate representation of the temperature dependence of fluid viscosity at hypersonic speeds than Chapman's approximate linear law; although at lower speeds the temperature variation of the mean state is less pronounced so that the Chapman law can be used with some confidence. Attention is focussed on the so-called (vorticity) mode of instability of the viscous hypersonic boundary layer. This is thought to be the fastest growing inviscid disturbance at hypersonic speeds; it is also believed to have an asymptotically larger growth rate than any viscous or centrifugal instability. As a starting point the instability of the hypersonic boundary layer which exists far downstream from the leading edge of the plate is investigated. In this regime the shock that is attached to the leading edge of the plate plays no role, so that the basic boundary layer is non-interactive. It is shown that the vorticity mode of instability of this flow operates on a significantly different lengthscale than that obtained if a Chapman viscosity law is assumed. In particular, it is found that the growth rate predicted by a linear viscosity law overestimates the size of the growth rate by O(M(exp 2). Next, the development of the vorticity mode as the wavenumber decreases is described, and it is shown that acoustic modes emerge when the wavenumber has decreased from it's O(1) initial value to O(M (exp -3/2). Finally, the inviscid instability of the boundary layer near the leading edge in the interaction zone is discussed and particular attention is focussed on the strong interaction region which occurs sufficiently close to the leading edge. It is found that the vorticity mode in this regime is again unstable, and that it is concentrated in the transition layer at the edge of the boundary layer where the temperature adjusts from its large, O(M(exp 2), value in the viscous boundary layer, to its O(1) free stream value. The existence of the shock indirectly, but significantly, influences the instability problem by modifying the basic flow structure in this layer.

Blackaby, Nicholas↗
DOE OSTI2014

Hydrogen interaction kinetics of Ge dangling bonds at the Si{sub 0.25}Ge{sub 0.75}/SiO{sub 2} interface

The hydrogen interaction kinetics of the GeP{sub b1} defect, previously identified by electron spin resonance (ESR) as an interfacial Ge dangling bond (DB) defect occurring in densities ∼7 × 10{sup 12} cm{sup −2} at the SiGe/SiO{sub 2} interfaces of condensation grown (100)Si/a-SiO{sub 2}/Ge{sub 0.75}Si{sub 0.25}/a-SiO{sub 2} structures, has been studied as function of temperature. This has been carried out, both in the isothermal and isochronal mode, through defect monitoring by capacitance-voltage measurements in conjunction with ESR probing, where it has previously been demonstrated the defects to operate as negative charge traps. The work entails a full interaction cycle study, comprised of analysis of both defect passivation (pictured as GeP{sub b1}-H formation) in molecular hydrogen (∼1 atm) and reactivation (GeP{sub b1}-H dissociation) in vacuum. It is found that both processes can be suitably described separately by the generalized simple thermal (GST) model, embodying a first order interaction kinetics description based on the basic chemical reactions GeP{sub b1} + H{sub 2} → GeP{sub b1}H + H and GeP{sub b1}H → GeP{sub b1} + H, which are found to be characterized by the average activation energies E{sub f} = 1.44 ± 0.04 eV and E{sub d} = 2.23 ± 0.04 eV, and attendant, assumedly Gaussian, spreads σE{sub f} = 0.20 ± 0.02 eV and σE{sub d} = 0.15 ± 0.02 eV, respectively. The substantial spreads refer to enhanced interfacial disorder. Combination of the separately inferred kinetic parameters for passivation and dissociation results in the unified realistic GST description that incorporates the simultaneous competing action of passivation and dissociation, and which is found to excellently account for the full cycle data. For process times t{sub a} ∼ 35 min, it is found that even for the optimum treatment temperature ∼380 °C, only ∼60% of the GeP{sub b1} system can be electrically silenced, still far remote from device grade level. This ineffectiveness is concluded, for the major part, to be a direct consequence of the excessive spreads in the activation energies, ∼2–3 times larger than for the Si DB P{sub b} defects at the standard thermal (111)Si/SiO{sub 2} interface which may be easily passivated to device grade levels, strengthened by the reduced difference between the average E{sub f} and E{sub d} values. Exploring the guidelines of the GST model indicates that passivation can be improved by decreasing T{sub an} and attendant enlarging of t{sub a}, however, at best still leaving ∼2% defects unpassivated even for unrealistically extended anneal times. The average dissociation energy E{sub d} ∼ 2.23 eV, concluded as representing the GeP{sub b1}-H bond strength, is found to be smaller than the SiP{sub b}-H one, characterized by E{sub d} ∼ 2.83 eV. An energy deficiency is encountered regarding the energy sum rule inherent to the GST-model, the origin of which is substantiated to lie with a more complex nature of the forward passivation process than basically depicted in the GST model. The results are discussed within the context of theoretical considerations on the passivation of interfacial Ge DBs by hydrogen.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Nuclear winds in active elliptical galaxies. I - Interaction

The interaction of a supersonic wind generated by an active nucleus, a nuclear wind, with the hot interstellar medium of an elliptical host galaxy is investigated. We survey the basic time and spatial scales of this interaction through a study covering the range of probable wind and galaxy parameters. The evolving wind/ISM interaction is detailed, with the conclusion that a true equilibrium state is never possible due to long cooling times. Alteration of the wind by mass loading is considered, and a relationship between nuclear winds and central stellar clusters in this context is outlined. The nuclear wind will fundamentally alter the interstellar medium of the host galaxy. Powerful radio galaxies and quasars can evacuate the entire ISM of their host galaxy. In an isolated elliptical galaxy, winds from moderately powerful radio galaxies will either be confined to within about a kpc or evacuate the entire hot ISM. Even in the relatively high pressure ISM of elliptical galaxies winds containing only 1 percent-10 percent of the radiant luminosity of the active nucleus will extend to the narrow-line region. Therefore, nuclear winds are likely to control the properties of the narrow-line emission.

Smith, Steven J.↗
NASA NTRS1972

Aerodynamic sound generation due to vortex-aerofoil interaction. Part 2: Analysis of the acoustic field

The Lighthill method was the basic procedure used to analyze the sound field associated with a vortex of modified strength interacting with an airfoil. A free vortex interacting with an airfoil in uniform motion was modeled in order to determine the sound field due to all the acoustic sources, not only on the airfoil surfaces (dipoles), but also the ones distributed on the perturbed flow field (quadrupoles) due to the vortex-airfoil interaction. Because inviscid flow is assumed in the study of the interaction, the quadrupoles considered in the perturbed flow field are entirely due to an unsteady flow field. The effects of airfoil thickness on the second radiation are examined by using a symmetric Joukowski airfoil for the vortex-airfoil interaction. Sound radiation in a plane, far field simplification, and computation of the sound field are discussed.

Parasarathy, R.↗
DOE OSTI2019

Computational Analysis of Interactions of the Oral Microbiota

The human oral microbiome is a complex site containing many hundreds of species with the community response of this microbiome having a large effect on human health. The complexity of this site has spoken to the need for applying –omics techniques to better understand which microbial species are present, their contribution to the microbiome and how this may change as a function of disease. The kinds of datasets that emerge from these –omics studies require computational analysis to gain robust results. New research has also been focused on applying these methods to build computational networks and models that better describe the myriad of interactions between microbial species of the oral cavity and how this changes as a result of infection. In this work, I describe the state of the field at this point, what kinds of computational networks have been inferred and what they show. I also describe where the field is heading in the next few years and how more in depth –omics analysis can lead to more detailed models of interactions at this site and improve human health.

-omics↗
DOE OSTI2015

How do energetic ions damage metallic surfaces?

Surface modification under bombardment by energetic ions observed under different conditions in structural and functional materials and can be either unavoidable effect of the conditions or targeted modification to enhance materials properties. Understanding basic mechanisms is necessary for predicting properties changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films with (100) and (110) surfaces at room temperature. A large number of simulations, ~400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three basic scenarios were observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some instances, formation of large <100> vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Models of Small-Scale Patchiness

Patchiness is perhaps the most salient characteristic of plankton populations in the ocean. The scale of this heterogeneity spans many orders of magnitude in its spatial extent, ranging from planetary down to microscale. It has been argued that patchiness plays a fundamental role in the functioning of marine ecosystems, insofar as the mean conditions may not reflect the environment to which organisms are adapted. Understanding the nature of this patchiness is thus one of the major challenges of oceanographic ecology. The patchiness problem is fundamentally one of physical-biological-chemical interactions. This interconnection arises from three basic sources: (1) ocean currents continually redistribute dissolved and suspended constituents by advection; (2) space-time fluctuations in the flows themselves impact biological and chemical processes, and (3) organisms are capable of directed motion through the water. This tripartite linkage poses a difficult challenge to understanding oceanic ecosystems: differentiation between the three sources of variability requires accurate assessment of property distributions in space and time, in addition to detailed knowledge of organismal repertoires and the processes by which ambient conditions control the rates of biological and chemical reactions. Various methods of observing the ocean tend to lie parallel to the axes of the space/time domain in which these physical-biological-chemical interactions take place. Given that a purely observational approach to the patchiness problem is not tractable with finite resources, the coupling of models with observations offers an alternative which provides a context for synthesis of sparse data with articulations of fundamental principles assumed to govern functionality of the system. In a sense, models can be used to fill the gaps in the space/time domain, yielding a framework for exploring the controls on spatially and temporally intermittent processes. The following discussion highlights only a few of the multitude of models which have yielded insight into the dynamics of plankton patchiness. In addition, this particular collection of examples is intended to furnish some exposure to the diversity of modeling approaches which can be brought to bear on the problem. These approaches range from abstract theoretical models intended to elucidate specific processes, to complex numerical formulations which can be used to actually simulate observed distributions in detail.

McGillicuddy, D. J.↗
NASA NTRS2010

The Interaction of the Solar Wind with Solar Probe Plus - 3D Hybrid Simulation. Report 2: The Study for the Distance 9.5Rs

Our paper is a 2.5D and 3D numerical plasma models of the interaction of the solar wind (SW) with the Solar Probe Plus spacecraft (SPPSC). These results should be interpreted as a basic plasma model for which the derived SW interaction with spacecraft (SC) could have consequences for both plasma wave and electron plasma measurements on board SC in the inner heliosphere. We observe an excitation of the low frequency Alfven and whistler type wave directed by the magnetic field with an amplitude of the electromagnetic field oscillation about of (0.015-0.06) V/m. The compression waves and the jumps in an electric field with an amplitude of about 1.5 V/m and (12-18) V/m were also observed. The observed strong electromagnetic perturbations may be a crucial point in the electromagnetic measurements, which were planned in future Solar Probe Plus mission.

Lipatov, Alexander S.↗
DOE OSTI2020

Affinity propagation clustering of full-field, high-spatial-dimensional measurements for robust output-only modal identification: A proof-of-concept study

Determination of the model order is a challenging problem in system identification, especially in output-only or operational modal identification where some modes are weakly excited. While existing methods such as the stabilization diagram method (spectral information) are effective, they do not scale to high-dimensional data, which is usually needed for high-fidelity characterization of structural dynamics and has been made available in the emerging full-field measurement techniques using optical methods such as photogrammetry and laser vibrometers. In this proof-of-concept study we present a new non-parametric, data-driven approach for robust output-only identification of high-spatial-dimensional modal parameters of basic structures by efficiently processing and interactively exploiting the full-field measurement (i.e., very dense spatial measurement points). Specifically, we first over-estimate the system model once, producing a pool of candidate modes associated with their modal frequencies and full-field, high-spatial-dimensional mode shapes. This is accomplished by a data-driven method termed affinity propagation clustering (APC), where the active clusters, which are the active modes in our formulations, emerge from the "message-passing" procedure and does not require a pre-determination of the cluster number (mode or model order). Next, rather than using the spectral information to distinguish the physical and spurious modes in the stabilization diagram method, we exploit and visualize the spatial, full-field mode shape associated with each candidate mode to do so. We conduct extensive experiments on basic structural models with comparisons to a few existing methods. The results indicate that the new method is computationally efficient for identifying high-spatial-dimensional modal parameters, and robust to identify weak modes by exploiting the full-field measurement. We also discuss its applicability and limitations for structures with complex geometry (shapes).

42 ENGINEERING↗