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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Velocity force curves, laning, and jamming for oppositely driven disk systems

Using simulations we examine here a two-dimensional disk system in which two disk species are driven in opposite directions. We measure the average velocity of one of the species versus the applied driving force and identify four phases as function of drive and disk density: a jammed state, a completely phase separated state, a continuously mixing phase, and a laning phase. The transitions between these phases are correlated with jumps in the velocity–force curves that are similar to the behavior observed at dynamical phase transitions in driven particle systems with quenched disorder such as vortices in type-II superconductors. In some cases the transitions between phases are associated with negative differential mobility in which the average absolute velocity of either species decreases with increasing drive. We also consider the situation where the drive is applied to only one species as well as systems in which both species are driven in the same direction with different drive amplitudes. We show that the phases are robust against the addition of thermal fluctuations. Finally, we discuss how the transitions we observe could be related to absorbing phase transitions where a system in a phase separated or laning regime organizes to a state in which contacts between the disks no longer occur and dynamical fluctuations are lost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2005

Experimental Stage Separation Tool Development in NASA Langley's Aerothermodynamics Laboratory

As part of the research effort at NASA in support of the stage separation and ascent aerothermodynamics research program, proximity testing of a generic bimese wing-body configuration was conducted in NASA Langley's Aerothermodynamics Laboratory in the 20-Inch Mach 6 Air Tunnel. The objective of this work is the development of experimental tools and testing methodologies to apply to hypersonic stage separation problems for future multi-stage launch vehicle systems. Aerodynamic force and moment proximity data were generated at a nominal Mach number of 6 over a small range of angles of attack. The generic bimese configuration was tested in a belly-to-belly and back-to-belly orientation at 86 relative proximity locations. Over 800 aerodynamic proximity data points were taken to serve as a database for code validation. Longitudinal aerodynamic data generated in this test program show very good agreement with viscous computational predictions. Thus a framework has been established to study separation problems in the hypersonic regime using coordinated experimental and computational tools.

Murphy, Kelly J.↗
DOE OSTI2017

Experimental study of the application of rotating fluidized beds to particle separation

Rotating fluidized beds provide a unique opportunity to exploit fluidization under higher particle forces. The centripetal force in a rotating fluid bed is typically on the order of 10 times the force of gravity. Since the force keeping the particles in the unit is larger, the drag force can also be larger, allowing for higher gas and slip velocities. This operating regime provides intensified gas-solids contact through higher mass transfer, heat transfer, gas throughput, and bubble suppression. One application for using a rotating fluidized bed is in Chemical Looping Combustion (CLC). When solid fuels are used, oxygen carrier and ash are mixed in the process. In order to maintain high carbon capture efficiencies and recyclability of the oxygen carrier, the ash needs to be separated from the oxygen carrier. This separation can be done aerodynamically since the oxygen carrier is larger and heavier than the ash. It is theorized that rotating fluidized beds could improve both the gas-solid and solid-solid separation process efficiency and throughput as compared to conventional fluidized beds. A 43 cm diameter, 2.5 cm long vortex chamber has been designed and constructed to investigate the application to particle separation. A series of experiments have been performed to investigate the separation of different binary mixtures of solids. These experiments demonstrate the use of a rotating fluidized bed for high-G intensified particle separation that can be combined with high-G intensified gas-solids contact and gas-solids separation.¼

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1995

Active Suppression Of Vibrations On Aircraft Structures

Method of active suppression of nonlinear and nonstationary vibrations developed to reduce sonic fatigue and interior noise in high-speed aircraft. Structure of aircraft exhibits periodic, chaotic, and random vibrations when forced by high-intensity sound from jet engines, shock waves, turbulence, and separated flows. Method of suppressing vibrations involves feedback control: Strain gauges or other sensors mounted in paths of propagation of vibrations on structure sense vibrations; outputs of sensors processed into control signal applied to actuator mounted on structure, inducing compensatory forces.

Maestrello, Lucio↗
DOE OSTI2022

Degradation in Photovoltaic Encapsulant Transmittance: Results of the Second PVQAT TG5 Artificial Weathering Study

The optical degradation of encapsulants from ultraviolet (UV) radiation has historically resulted in a significant loss in performance throughout the life of a photovoltaic (PV) module. IEC test methods have recently been developed to screen for PV encapsulants prone to loss in optical performance. The present study was performed to benchmark polymeric packaging materials relative to IEC 62788-1-4 (covering the measurement of optical transmittance) and IEC 62788-1-7 (on the durability of transmittance), provide feedback toward improvement of the methods, and develop insight regarding optical degradation. Contemporary materials were examined, including: poly(ethylene-co-vinyl acetate) (EVA), thermoplastic polyolefin (TPO), polyolefin elastomer (POE), and polyvinyl butyral (PVB) encapsulants; a poly(ethene-co-tetrafluoroethene)/poly(ethylene terephthalate) (ETFE/PET) transparent backsheet; and a polystyrene (PS) working reference material. The use of silica-, specialty-, and rolled-glass was also compared in laminated coupons. Specimen size was separately examined from 2.5 cm to 12.5 cm. Weathering was performed with a xenon source, using IEC TS 62788-7-2 methods A2, A3, A4, and A5 (chamber temperature of 55 Degrees C, 65 Degrees C, 75 Degrees C, or 85 Degrees C), respectively. Characterizations were made using a UV-VIS-NIR spectrophotometer (transmittance and reflectance, with and without an integrating sphere), a UV-VIS fluorescence spectrophotometer, a camera, and an optical microscope. Performance was analyzed, including solar weighted transmittance, yellowness index, UV cut-off wavelength, and haze (scattering). Separate Arrhenius analyses were performed to assess retention of transmittance and changes in yellowness index. The activation energy for both characteristics was found to range from 15 kJ?mol-1-80 kJ/mol-1, with an average of 48 kJ/mol-1, similar to the average of 45 kJ/mol-1 identified in the previous international PV Quality Assurance Task Force (PVQAT) Task Group 5 (TG5) study of more traditional encapsulants. The separate degradation modes of discoloration and scattering were distinguished in the encapsulants using a comprehensive spectral characterization. Based on these results, the IEC 62788-1-7 pass/fail criteria of 5% change in transmittance was confirmed to identify a known bad encapsulant.

durability↗
NASA NTRS1981

Force and moment, flow-visualization, and boundary-layer tests on a shuttle orbiter model at Mach 6

Force and moment, flow visualization, and boundary layer state tests were conducted using two 0.004 scale shuttle orbiter models. The force and moment tests were conducted for an angle of attack range from 20 to 40 deg and for Reynolds numbers based on reference length from 0.4 million to 3.6 million. Schlieren photographs were obtained for each angle of attack and Reynolds number. The boundary layer state tests, which were conducted using hot film sensors mounted in a separate model, were conducted over the same range of conditions as the force tests. Test results were combined to show that changes in the boundary layer on a typical hypersonic force test model affect measurement of the axial force coefficient and that the state of the local boundary layer is important for interpreting hypersonic aerodynamic test results.

Calloway, R. L.↗
NASA NTRS2002

Rayleigh-Taylor Gravity Waves and Quasiperiodic Oscillation Phenomenon in X-ray Binaries

Accretion onto compact objects in X-ray binaries (black hole, neutron star (NS), white dwarf) is characterized by non-uniform flow density profiles. Such an effect of heterogeneity in presence of gravitational forces and pressure gradients exhibits Rayleigh-Taylor gravity waves (RTGW). They should be seen as quasiperiodic wave oscillations (QPO) of the accretion flow in the transition (boundary) layer between the Keplerian disk and the central object. In this paper the author shows that the main QPO frequency, which is very close to the Keplerian frequency, is split into separate frequencies (hybrid and low branch) under the influence of the gravitational forces in the rotational frame of reference. The RTGWs must be present and the related QPOs should be detected in any system where the gravity, buoyancy and Coriolis force effects cannot be excluded (even in the Earth and solar environments). The observed low and high QPO frequencies are an intrinsic signature of the RTGW. The author elaborates the conditions for the density profile when the RTGW oscillations are stable. A comparison of the inferred QPO frequencies with QPO observations is presented. The author finds that hectohertz frequencies detected from NS binaries can be identified as the RTGW low branch frequencies. The author also predicts that an observer can see the double NS spin frequency during the NS long (super) burst events when the pressure gradients and buoyant forces are suppressed. The Coriolis force is the only force which acts in the rotational frame of reference and its presence causes perfect coherent pulsations with a frequency twice of the NS spin. The QPO observations of neutron binaries have established that the high QPO frequencies do not go beyond of the certain upper limit. The author explains this observational effect as a result of the density profile inversions. Also the author demonstrates that a particular problem of the gravity waves in the rotational frame of reference in the approximation of very small pressure gradients is reduced to the problem of the classical oscillator in the rotational frame of reference which was previously introduced and applied for the interpretation of kHZ QPO observation by Osherovich & Titarchuk.

Titarchuk, Lev↗
NASA NTRS1951

Experimental Investigation of the Effects of Viscosity on the Drag and Base Pressure of Bodies of Revolution at a Mach Number 1.5

Models were tested to evaluate effects of Reynolds number for both laminar and turbulent boundary layers. Principal geometric variables investigated were afterbody shape and length-diameter ratio. Force tests and base-pressure measurements were made. Schlieren photographs were used to analyze the effects of viscosity on flow separation and shock-wave configuration and to verify the condition of the boundary layer as deduced from the force tests. The results are discussed and compared with theoretical calculations.

Chapman, Dean R↗
DOE OSTI2024

Transport of penetrants in polymeric materials

Transport phenomena of chemical species in polymers underpin many applications. This mini-review discusses several key transport scenarios in polymer gels, melts and crosslinked polymer networks. Transport mechanisms of a wide variety of penetrant and polymer chemistries are discussed via activated hopping theory and cover across the rubbery, intermediate/deeply supercooled and glassy states of polymers. Moreover, we also discuss the ionic conductivity in polymer electrolytes, emphasizing the relationship between ion diffusion and the segmental relaxation of polymers and highlighting current challenges in the community. Finally, potential research directions are suggested concerning how external fields, such as mechanical force fields, active matter and self-propelling particles, affect the particle transport in polymers. This mini-review offers a general overview of motivations for studying penetrant transports in polymers and diverse mechanisms involved.

activated hopping↗
DOE OSTI2017

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water

Molecular dynamics (MD) simulations are used to investigate 1 H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk n-C 5 H 12 to n-C 17 H 36 hydrocarbons and bulk water. The MD simulations of the 1H NMR relaxation times T 1,2 in the fast motion regime where T 1 = T 2 agree with measured (de-oxygenated) T2 data at ambient conditions, without any adjustable parameters in the interpretation of the simulation data. Likewise, the translational diffusion DT coefficients calculated using simulation con gurations are well-correlated with measured diffusion data at ambient conditions. The agreement between the predicted and experimentally measured NMR relaxation times and diffusion coefficient also validate the force elds used in the simulation. The molecular simulations naturally separate intramolecular from intermolecular dipole-dipole interactions helping bring new insight into the two NMR relaxation mechanisms as a function of molecular chain-length (i.e. carbon number). Comparison of the MD simulation results of the two relaxation mechanisms with traditional hard-sphere models used in interpreting NMR data reveals important limitations in the latter. With increasing chain length, there is substantial deviation in the molecular size inferred on the basis of the radius of gyration from simulation and the tted hard-sphere radii required to rationalize the relaxation times. This deviation is characteristic of the local nature of the NMR measurement, one that is well-captured by molecular simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Lithium ions in the van der Waals gap of Bi{sub 2}Se{sub 3} single crystals

Insertion/extraction of lithium ions into/from Bi{sub 2}Se{sub 3} crystals was investigated by means of cyclic voltammetry. The process of insertion is reflected in the appearance of two bands on voltammograms at {approx}1.7 and {approx}1.5 V, corresponding to the insertion of Li{sup +} ions into octahedral and tetrahedral sites of the van der Waals gap of these layered crystals. The process of extraction of Li{sup +} ions from the gap results in the appearance of four bands on the voltammograms. The bands 1 and 2 at {approx}2.1 and {approx}2.3 V correspond to the extraction of a part of Li{sup +} guest ions from the octahedral and tetrahedrals sites and this extraction has a character of a reversible intercalation/deintercalation process. A part of Li{sup +} ions is bound firmly in the crystal due to the formation of negatively charged clusters of the (LiBiSe{sub 2}.Bi{sub 3}Se{sub 4}{sup -}) type. A further extraction of Li{sup +} ions from the van der Waals gap is associated with the presence of bands 3 and 4 placed at {approx}2.5 and {approx}2.7 V on the voltammograms as their extraction needs higher voltage due to the influence of negative charges localized on these clusters. -- Graphical abstract: Insertion/extraction of lithium ions into/from Bi{sub 2}Se{sub 3} layered crystals was investigated by cyclic voltammetry. The extraction of Li{sup +} results in the appearance of four bands on the voltammograms. The first two bands have a character of a reversible process. A part of Li{sup +} ions is bound firmly in the crystal due to the formation of negatively charged clusters of the (LiBiSe{sub 2}.Bi{sub 3}Se{sub 4}{sup -}) type. Their extraction needs higher voltage due to the negative charge. Display Omitted

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

High temperature thermoplastic elastomers synthesized by living anionic polymerization in hydrocarbon solvent at room temperature

We present the synthesis and characterization of a new class of high temperature thermoplastic elastomers composed of polybenzofulvene–polyisoprene–polybenzofulvene (FIF) triblock copolymers. All copolymers were prepared by living anionic polymerization in benzene at room temperature. Homopolymerization and effects of additives on the glass transition temperature (T g ) of polybenzofulvene (PBF) were also investigated. Among all triblock copolymers studied, FIF with 14 vol % of PBF exhibited a maximum stress of 14.3 ± 1.3 MPa and strain at break of 1390 ± 66% from tensile tests. The stress–strain curves of FIF-10 and 14 were analyzed by a statistical molecular approach using a nonaffine tube model to estimate the thermoplastic elastomer behavior. Dynamic mechanical analysis showed that the softening temperature of PBF in FIF was 145 °C, much higher than that of thermoplastic elastomers with polystyrene hard blocks. Microphase separation of FIF triblock copolymers was observed by small-angle X-ray scattering, even though long-range order was not achieved under the annealing conditions employed. Additionally, the microphase separation of the resulting triblock copolymers was examined by atomic force microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Polydiallylammonium-Polysulfone Multiblock Copolymers for Moisture-Swing Direct Air Capture of Carbon Dioxide

Polysulfones are an important class of materials for a variety of applications due to their excellent strength and thermal stability. Quaternary ammonium polymers are also useful materials due to their ion exchange properties, and such materials with alkaline counterions have been used to capture carbon dioxide (CO 2 ) from ambient air through a moisture-driven mechanism. Herein, we design sulfone-based multiblock copolymers containing ammonium functionalities and demonstrate their potential for CO 2 capture. Specifically, a series of multiblock copolymers containing both polydiallyldimethylammonium (PDADMA) and polysulfone (PSf) blocks were synthesized. PSf blocks provide mechanical integrity, while the PDADMA blocks enable the direct air capture of CO 2 . Multiblock copolymers were synthesized at high yield, and PDADMA(OH)-PSf copolymer films with good flexibility and strength were formed with IECs of 424 μmol/g (17 mol % PDADMA(OH)), 1407 μmol/g (44 mol % PDADMA(OH)), and 1726 μmol/g (50 mol % PDADMA(OH)). Thermogravimetric analysis was used to determine that all films are thermally stable up to 345 °C. Differential scanning calorimetry revealed that the 17 and 44 mol % functionalized PDADMA(OH)-PSf multiblock copolymers showed one T g at 185 °C and 50 mol % PDADMA(OH)-PSf polymer showed a T g at 183 °C and a second T g at 16 °C. Atomic force microscopy showed that the multiblock polymers exhibit disordered phase separation. Furthermore, the copolymer materials displayed moisture-swing direct air capture of CO 2 , opening up pathways to utilize polymer architecture and chemistry to tailor the properties of promising sorbents.

42 ENGINEERING↗
DOE OSTI2012

Structural Insights into the Activation and Inhibition of Histo-Aspartic Protease from Plasmodium falciparum

Histo-aspartic protease (HAP) from Plasmodium falciparum is a promising target for the development of novel antimalarial drugs. The sequence of HAP is highly similar to those of pepsin-like aspartic proteases, but one of the two catalytic aspartates, Asp32, is replaced with histidine. Crystal structures of the truncated zymogen of HAP and of the complex of the mature enzyme with inhibitor KNI-10395 have been determined at 2.1 and 2.5 {angstrom} resolution, respectively. As in other proplasmepsins, the propeptide of the zymogen interacts with the C-terminal domain of the enzyme, forcing the N- and C-terminal domains apart, thereby separating His32 and Asp215 and preventing formation of the mature active site. In the inhibitor complex, the enzyme forms a tight domain-swapped dimer, not previously seen in any aspartic proteases. The inhibitor is found in an unprecedented conformation resembling the letter U, stabilized by two intramolecular hydrogen bonds. Surprisingly, the location and conformation of the inhibitor are similar to those of the fragment of helix 2 comprising residues 34p-38p in the prosegments of the zymogens of gastric aspartic proteases; a corresponding helix assumes a vastly different orientation in proplasmepsins. Each inhibitor molecule is in contact with two molecules of HAP, interacting with the carboxylate group of the catalytic Asp215 of one HAP protomer through a water molecule, while also making a direct hydrogen bond to Glu278A' of the other protomer. A comparison of the shifts in the positions of the catalytic residues in the inhibitor complex presented here with those published previously gives further hints regarding the enzymatic mechanism of HAP.

08 HYDROGEN↗
DOE OSTI2022

A benchmark dataset for Hydrogen Combustion

The generation of reference data for deep learning models is challenging for reactive systems, and more so for combustion reactions due to the extreme conditions that create radical species and alternative spin states during the combustion process. Here, we extend intrinsic reaction coordinate (IRC) calculations with ab initio MD simulations and normal mode displacement calculations to more extensively cover the potential energy surface for 19 reaction channels for hydrogen combustion. A total of ~290,000 potential energies and ~1,270,000 nuclear force vectors are evaluated with a high quality range-separated hybrid density functional, ωB97X-V, to construct the reference data set, including transition state ensembles, for the deep learning models to study hydrogen combustion reaction.

08 HYDROGEN↗
DOE OSTI2013

Common processes drive the thermochemical pretreatment of lignocellulosic biomass

Lignocellulosic biomass, a potentially important renewable organic source of energy and chemical feedstock, resists degradation to glucose in industrial hydrolysis processes and thus requires expensive thermochemical pretreatments. Understanding the mechanism of biomass breakdown during these pretreatments will lead to more efficient use of biomass. By combining multiple probes of structure, sensitive to different length scales, with molecular dynamics simulations, we reveal two fundamental processes responsible for the morphological changes in biomass during steam explosion pretreatment: cellulose dehydration and lignin-hemicellulose phase separation. In conclusion, we further show that the basic driving forces are the same in other leading thermochemical pretreatments, such as dilute acid pretreatment and ammonia fiber expansion.

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

Two-dimensional plasma expansion in a magnetic nozzle: Separation due to electron inertia

A previous axisymmetric model of the supersonic expansion of a collisionless, hot plasma in a divergent magnetic nozzle is extended here in order to include electron-inertia effects. Up to dominant order on all components of the electron velocity, electron momentum equations still reduce to three conservation laws. Electron inertia leads to outward electron separation from the magnetic streamtubes. The progressive plasma filling of the adjacent vacuum region is consistent with electron-inertia being part of finite electron Larmor radius effects, which increase downstream and eventually demagnetize the plasma. Current ambipolarity is not fulfilled and ion separation can be either outwards or inwards of magnetic streamtubes, depending on their magnetization. Electron separation penalizes slightly the plume efficiency and is larger for plasma beams injected with large pressure gradients. An alternative nonzero electron-inertia model [E. Hooper, J. Propul. Power 9, 757 (1993)] based on cold plasmas and current ambipolarity, which predicts inwards electron separation, is discussed critically. A possible competition of the gyroviscous force with electron-inertia effects is commented briefly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗