Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SPACE DEPENDENCE”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

The effect of weak collisionality on damped modes and its contribution to linear mode coupling in gyrokinetic simulation

We revisit the characteristics of stable, damped modes originating from the Landau damping by employing a discretized gyrokinetic Vlasov simulation and also eigenvalue analysis in an unsheared slab geometry. By comparing results between gyrokinetic simulation and an eigenvalue analysis, we found that there exists a critical collisionality β{sub c}{sup *} at which the Case-van Kampen (CvK) modes are damped down to the analytically estimated Landau damping rate and an eigenmode consistent with Landau's theory emerges. Consequently, the recurrence phenomenon disappears so that the Landau damping can be properly reproduced. The critical collisionality β{sub c}{sup *} depends on the resolution in velocity space; i.e., a higher (lower) resolution requires a lower (higher) collisionality, while tends to zero (β{sub c}{sup *}→0) as Δv→0. It is found through a reduced model that even in the collisionless case with marginally stable CvK modes, the linear mode coupling between unstable and stable/damped components through a tertiary mode and the resultant energy transfer can be properly calculated such that the stable/damped mode persists as an eigenstate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Study of dielectric relaxation process in nanocomposite of Li{sub 2}O−SiO{sub 2} nanoglass-CuO nanoparticles

Dielectric behaviour of a nanocomposite consisting of 23Li{sub 2}O⋅77SiO{sub 2} nanoglass within the pores of compacted CuO nanoparticles was studied. Real and imaginary parts of dielectric permittivity of the material were measured over the temperature range 313 to 363 K. The results indicated a relaxation behaviour. The data were explained by a space charge polarization model developed in the case of a laminar conductor. The activation energy of the relaxation process was in close agreement with that of lithium ion conduction in the nanoglass.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantification of the solid-state charge mobility in a model radical polymer

We establish that an oft-used radical polymer, poly(2,2,6,6-tetramethylpiperidinyloxy methacrylate) (PTMA), has a solid-state hole mobility value on the order of 10 -4 cm 2 V -1 s -1 in a space charge-limited device geometry. Despite being completely amorphous and lacking any $π$-conjugation, these results demonstrate that the hole mobility of PTMA is comparable to many well-studied conjugated polymers [e.g., poly(3-hexylthiophene)]. Furthermore, we show that the space charge-limited charge carrier mobility of these macromolecules is only a weak function of temperature, in contrast to many thermally-activated models of charge transport in polymeric materials. This key result demonstrates that the charge transport in radical polymers is inherently different than that in semicrystalline, conjugated polymers. These results establish the mechanism of solid-state charge transport in radical polymers and provide macromolecular design principles for this emerging class of organic electronic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetic and dielectric behavior in YMn{sub 1−x}Fe{sub x}O{sub 3} (x ≤ 0.5)

The role of doping Fe on the structural, magnetic, and dielectric properties of frustrated antiferromagnet YMn{sub 1−x}Fe{sub x}O{sub 3} (x ≤ 0.5) has been investigated. The neutron diffraction analysis shows that the structure of these polycrystalline samples changes from hexagonal phase (space group P6{sub 3}cm) to orthorhombic phase (space group Pnma) for x > 0.2. The frustration parameter decreases with Fe substitution. All the compounds are antiferromagnetic, and the magnetic structure is described as a mixture of Γ3 and Γ4 irreducible representation (IR) in the hexagonal phase, and the ratio of these two IRs is found to vary with Fe doping (x ≤ 0.2). A continuous spin reorientation as a function of temperature is observed in these samples. The magnetic ground state in the orthorhombic phase of the higher doped samples (x ≥ 0.3) is explained by taking Γ1 (G{sub x}C{sub y}A{sub z}) representation of Pnma setting. In YMnO{sub 3} suppression of dielectric constant ε′ is observed below T{sub N} indicative of magnetoelectric coupling. This anomalous behavior reduces in Fe doped samples. The dielectric constant is found to be correlated with the magnetic moment (M) obtained from neutron diffraction experiments and follows a M{sup 2} behavior close to T{sub N} in agreement with Landau theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Accelerated weight histogram method for exploring free energy landscapes

Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Thermal effects and space-charge limited transition in crossed-field devices

A fully kinetic model for the electron flow in a crossed field device is derived and used to determine the system stationary states. It is found that for low injection temperatures, there is a simultaneous presence of distinct stationary solutions and an abrupt transition between accelerating and space-charge limited regimes. On the other hand, for high injection temperatures, there is only a single stationary solution branch and the change between the regimes becomes continuous. For intermediate temperatures, it is then identified a critical point that separates the abrupt and continuous behaviors. It is also investigated how intrinsic space-charge oscillations may drive stationary states unstable in certain parameter regimes. The results are verified with N-particle self-consistent simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A one-dimensional model illustrating virtual-cathode formation in a novel coaxial virtual-cathode oscillator

A one-dimensional electrostatic sheet model of a coaxial geometry Virtual Cathode Oscillator (VCO) is presented. The cathode is centrally located and connects to a peripherally located plate electrode to form a resonant cavity, and is thus considered to be a novel design. Charge is modelled as concentric sheets about the cathode whose absolute position and velocity are determined as a function of time by solving the relativistic equations of motion. The model predicts the formation of a virtual cathode between the grid and plate electrodes for the case of a space-charge limited current. Setting the electron reflexing frequency (as a function of the grid potential) comparable with the cavity resonant frequency is predicted to improve the efficiency of microwave emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A spacecraft's own ambient environment: The role of simulation-based research

Spacecraft contamination has long been a subject of study in the rarefied gas dynamics community. Professor Mikhail Ivanov coined the term a spacecraft's 'own ambient environment' to describe the effects of natural and satellite driven processes on the conditions encountered by a spacecraft in orbit. Outgassing, thruster firings, and gas and liquid dumps all contribute to the spacecraft's contamination environment. Rarefied gas dynamic modeling techniques, such as Direct Simulation Monte Carlo, are well suited to investigate these spacebased environments. However, many advances were necessary to fully characterize the extent of this problem. A better understanding of modeling flows over large pressure ranges, for example hybrid continuum and rarefied numerical schemes, were required. Two-phase flow modeling under rarefied conditions was necessary. And the ability to model plasma flows for a new era of propulsion systems was also required. Through the work of Professor Ivanov and his team, we now have a better understanding of processes that create a spacecraft's own ambient environment and are able to better characterize these environments. Advances in numerical simulation have also spurred on the development of experimental facilities to study these effects. The relationship between numerical results and experimental advances will be explored in this manuscript.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Graphene nanoribbon field-effect transistors on wafer-scale epitaxial graphene on SiC substrates

We report the realization of top-gated graphene nanoribbon field effect transistors (GNRFETs) of ∼10 nm width on large-area epitaxial graphene exhibiting the opening of a band gap of ∼0.14 eV. Contrary to prior observations of disordered transport and severe edge-roughness effects of graphene nanoribbons (GNRs), the experimental results presented here clearly show that the transport mechanism in carefully fabricated GNRFETs is conventional band-transport at room temperature and inter-band tunneling at low temperature. The entire space of temperature, size, and geometry dependent transport properties and electrostatics of the GNRFETs are explained by a conventional thermionic emission and tunneling current model. Our combined experimental and modeling work proves that carefully fabricated narrow GNRs behave as conventional semiconductors and remain potential candidates for electronic switching devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Terahertz pulsed photogenerated current in microdiodes at room temperature

Space-charge modulation of the current in a vacuum diode under photoemission leads to the formation of beamlets with time periodicity corresponding to THz frequencies. We investigate the effect of the emitter temperature and internal space-charge forces on the formation and persistence of the beamlets. We find that temperature effects are most important for beam degradation at low values of the applied electric field, whereas at higher fields, intra-beamlet space-charge forces are dominant. The current modulation is most robust when there is only one beamlet present in the diode gap at a time, corresponding to a macroscopic version of the Coulomb blockade. It is shown that a vacuum microdiode can operate quite well as a tunable THz oscillator at room temperature with an applied electric field above 10 MV/m and a diode gap of the order of 100 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Random center vortex lines in continuous 3D space-time

We present a model of center vortices, represented by closed random lines in continuous 2+1-dimensional space-time. These random lines are modeled as being piece-wise linear and an ensemble is generated by Monte Carlo methods. The physical space in which the vortex lines are defined is a cuboid with periodic boundary conditions. Besides moving, growing and shrinking of the vortex configuration, also reconnections are allowed. Our ensemble therefore contains not a fixed, but a variable number of closed vortex lines. This is expected to be important for realizing the deconfining phase transition. Using the model, we study both vortex percolation and the potential V(R) between quark and anti-quark as a function of distance R at different vortex densities, vortex segment lengths, reconnection conditions and at different temperatures. We have found three deconfinement phase transitions, as a function of density, as a function of vortex segment length, and as a function of temperature. The model reproduces the qualitative features of confinement physics seen in SU(2) Yang-Mills theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Drift of charge carriers in crystalline organic semiconductors

We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC). The IDC is carried out in the real-space representation with the energy-dependent reweighing factors to account for both intermolecular decoherence and energy relaxation by which conduction occurs. In this way, both the diffusion and drift motion of charge carriers are described in a unified framework. Based on an off-diagonal electron-phonon coupling model for pentacene, we find that the drift velocity initially increases with the electric field and then decreases at higher fields due to the Wannier-Stark localization, and a negative electric-field dependence of mobility is observed. The Einstein relation, which is a manifestation of the fluctuation-dissipation theorem, is found to be restored in electric fields up to ∼10{sup 5} V/cm for a wide temperature region studied. Furthermore, we show that the incorporated decoherence and energy relaxation could explain the large discrepancy between the mobilities calculated by the Ehrenfest dynamics and the full quantum methods, which proves the effectiveness of our approach to take back these missing processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Active space selection with self-healing diffusion Monte Carlo algorithms for periodic solids

Multideterminant Diffusion Monte Carlo (DMC) displays improved accuracy over single determinant DMC. Self-Healing Diffusion Monte Carlo (SHDMC) is a DMC based method that iteratively improves a multideterminant trial wavefunction. Although configuration interaction or complete active space (CAS) methods are very accurate and computationally feasible for many systems, they are not optimal for application to solids. SHDMC is accurate and designed for application to solids, so developing SHDMC based active space selection algorithms is a worthy endeavor. Here, we present and compare active space selection algorithms that are designed for use in conjunction with SHDMC, without relying on external approaches. For benchmarking, we calculated the ground state energy of a small unit cell of graphene and compared the results with a complete basis set extrapolated selected CI and a reference SHDMC trajectory. We found that systematically expanding the active space using an “auto-branching” algorithm optimally balances accuracy with computational practicality. To the best of our knowledge, this is the first work that demonstrates completely self-contained DMC-based active space selection algorithms that do not depend on external methods for determinant selection.

Spanedda, Nicole [ORNL]↗
DOE OSTI2012

ASTROMETRIC REVERBERATION MAPPING

Spatially extended emission regions of active galactic nuclei respond to continuum variations, if such emission regions are powered by energy reprocessing of the continuum. The response from different parts of the reverberating region arrives at different times lagging behind the continuum variation. The lags can be used to map the geometry and kinematics of the emission region (i.e., reverberation mapping, RM). If the extended emission region is not spherically symmetric in configuration and velocity space, reverberation may produce astrometric offsets in the emission region photocenter as a function of time delay and velocity, detectable with future {mu}as to tens of {mu}as astrometry. Such astrometric responses provide independent constraints on the geometric and kinematic structure of the extended emission region, complementary to traditional RM. In addition, astrometric RM is more sensitive to infer the inclination of a flattened geometry and the rotation angle of the extended emission region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Plasma flows in the heliosheath along the Voyager 1 and 2 trajectories due to effects of the 11 yr solar cycle

We investigate the role of the 11 yr solar cycle variations in the solar wind (SW) parameters on the flows in the heliosheath using a new three-dimensional time-dependent model of the interaction between the SW and the interstellar medium. For boundary conditions in the model we use realistic time and the latitudinal dependence of the SW parameters obtained from SOHO/SWAN and interplanetary scintillation data for the last two solar cycles (1990-2011). This data set generally agrees with the in situ Ulysses measurements from 1991 to 2009. For the first ∼30 AU of the heliosheath the time-dependent model predicts constant radial flow speeds at Voyager 2 (V2), which is consistent with observations and different from the steady models that show a radial speed decrease of 30%. The model shows that V2 was immersed in SW with speeds of 500-550 km s{sup –1} upstream of the termination shock before 2009 and in wind with upstream speeds of 450-500 km s{sup –1} after 2009. The model also predicts that the radial velocity along the Voyager 1 (V1) trajectory is constant across the heliosheath, contrary to observations. This difference in observations implies that additional effects may be responsible for the different flows at V1 and V2. The model predicts meridional flows (VN) higher than those observed because of the strong bluntness of the heliosphere shape in the N direction in the model. The modeled tangential velocity component (VT) at V2 is smaller than observed. Both VN and VT essentially depend on the shape of the heliopause.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SYMMETRY OF THE IBEX RIBBON OF ENHANCED ENERGETIC NEUTRAL ATOM (ENA) FLUX

The circular ribbon of enhanced energetic neutral atom (ENA) emission observed by the Interstellar Boundary Explorer (IBEX) mission remains a critical signature for understanding the interaction between the heliosphere and the interstellar medium. We study the symmetry of the ribbon flux and find strong, spectrally dependent reflection symmetry throughout the energy range 0.7-4.3 keV. The distribution of ENA flux around the ribbon is predominantly unimodal at 0.7 and 1.1 keV, distinctly bimodal at 2.7 and 4.3 keV, and a mixture of both at 1.7 keV. The bimodal flux distribution consists of partially opposing bilateral flux lobes, located at highest and lowest heliographic latitude extents of the ribbon. The vector between the ribbon center and heliospheric nose (which defines the so-called BV plane) appears to play an organizing role in the spectral dependence of the symmetry axis locations as well as asymmetric contributions to the ribbon flux. The symmetry planes at 2.7 and 4.3 keV, derived by projecting the symmetry axes to a great circle in the sky, are equivalent to tilting the heliographic equatorial plane to the ribbon center, suggesting a global heliospheric ordering. The presence and energy dependence of symmetric unilateral and bilateral flux distributions suggest strong spectral filtration from processes encountered by an ion along its journey from the source plasma to its eventual detection at IBEX.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

FOREGROUND MODEL AND ANTENNA CALIBRATION ERRORS IN THE MEASUREMENT OF THE SKY-AVERAGED λ21 cm SIGNAL AT z∼ 20

The most promising near-term observable of the cosmic dark age prior to widespread reionization (z ∼ 15-200) is the sky-averaged λ21 cm background arising from hydrogen in the intergalactic medium. Though an individual antenna could in principle detect the line signature, data analysis must separate foregrounds that are orders of magnitude brighter than the λ21 cm background (but that are anticipated to vary monotonically and gradually with frequency, e.g., they are considered {sup s}pectrally smooth{sup )}. Using more physically motivated models for foregrounds than in previous studies, we show that the intrinsic spectral smoothness of the foregrounds is likely not a concern, and that data analysis for an ideal antenna should be able to detect the λ21 cm signal after subtracting a ∼fifth-order polynomial in log ν. However, we find that the foreground signal is corrupted by the angular and frequency-dependent response of a real antenna. The frequency dependence complicates modeling of foregrounds commonly based on the assumption of spectral smoothness. Our calculations focus on the Large-aperture Experiment to detect the Dark Age, which combines both radiometric and interferometric measurements. We show that statistical uncertainty remaining after fitting antenna gain patterns to interferometric measurements is not anticipated to compromise extraction of the λ21 cm signal for a range of cosmological models after fitting a seventh-order polynomial to radiometric data. Our results generalize to most efforts to measure the sky-averaged spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗