Search NASA⌕ Search

SEARCH · Search NASA

Results for “developable planes”

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 1,189 records · Page 66

Micromagnetic simulations with periodic boundary conditions: Hard-soft nanocomposites

Here, we developed a micromagnetic method for modeling magnetic systems with periodic boundary conditions along an arbitrary number of dimensions. The main feature is an adaptation of the Ewald summation technique for evaluation of long-range dipolar interactions. The method was applied to investigate the hysteresis process in hard-soft magnetic nanocomposites with various geometries. The dependence of the results on different micromagnetic parameters was studied. We found that for layered structures with an out-of-plane hard phase easy axis the hysteretic properties are very sensitive to the strength of the interlayer exchange coupling, as long as the spontaneous magnetization for the hard phase is significantly smaller than for the soft phase. The origin of this behavior was discussed. Additionally, we investigated the soft phase size optimizing the energy product of hard-soft nanocomposites.

36 MATERIALS SCIENCE↗

Electronic cooling via interlayer Coulomb coupling in multilayer epitaxial graphene

In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron–phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interlayer bonding results in weak phonon-mediated thermal coupling between the layers. We demonstrate here, however, that Coulomb interactions between electrons in different layers of multilayer epitaxial graphene provide an important mechanism for interlayer thermal transport, even though all electronic states are strongly confined within individual 2D layers. This effect is manifested in the relaxation dynamics of hot carriers in ultrafast time-resolved terahertz spectroscopy. We develop a theory of interlayer Coulomb coupling containing no free parameters that accounts for the experimentally observed trends in hot-carrier dynamics as temperature and the number of layers is varied.

42 ENGINEERING↗

Studies on optoelectronic properties of DC reactive magnetron sputtered CdTe thin films

Cadmium telluride continues to be a leading candidate for the development of cost effective photovoltaics for terrestrial applications. In the present work two individual metallic targets of Cd and Te were used for the deposition of CdTe thin films on mica substrates from room temperature to 300 °C by DC reactive magnetron sputtering method. XRD patterns of CdTe thin films deposited on mica substrates exhibit peaks at 2θ = 27.7°, 46.1° and 54.6°, which corresponds to reflection on (1 1 1), (2 2 0) and (3 1 1) planes of CdTe cubic structure. The intensities of XRD patterns increases with the increase of substrate temperature upto 150 °C and then it decreases at higher substrate temperatures. The conductivity of CdTe thin films measured from four probe method increases with the increase of substrate temperature. The activation energies (ΔE) are found to be decrease with the increase of substrate temperature. The optical transmittance spectra of CdTe thin films deposited on mica have a clear interference pattern in the longer wavelength region. The films have good transparency (T > 85 %) exhibiting interference pattern in the spectral region between 1200 – 2500 nm. The optical band gap of CdTe thin films are found to be in the range of 1.48 – 1.57. The refractive index, n decreases with the increase of wavelength, λ. The value of n and k increases with the increase of substrate temperature.

36 MATERIALS SCIENCE↗

Non-filamentated ultra-intense and ultra-short pulse fronts in three-dimensional Raman seed amplification

Ultra-intense and ultra-short laser pulses may be generated up to the exawatt-zetawatt regime due to parametric processes in plasmas. The minimization of unwanted plasma processes leads to operational limits which are discussed here with respect to filamentation. Transverse filamentation, which originally was derived for plane waves, is being investigated for seed pulse propagation in the so called π-pulse limit. A three-dimensional (3D) three-wave-interaction model is the basis of the present investigation. To demonstrate the applicability of the three-wave-interaction model, the 1D pulse forms are compared with those obtained from 1D particle in cell and Vlasov simulations. Although wave-breaking may occur, the kinetic simulations show that the leading pumped pulse develops a form similar to that obtained from the three-wave-interaction model. In the main part, 2D and 3D filamentation processes of (localized) pulses are investigated with the three-wave-interaction model. It is shown that the leading pulse front can stay filamentation-free, whereas the rear parts show transverse modulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal management in MoS{sub 2} based integrated device using near-field radiation

Recently, wafer-scale growth of monolayer MoS{sub 2} films with spatial homogeneity is realized on SiO{sub 2} substrate. Together with the latest reported high mobility, MoS{sub 2} based integrated electronic devices are expected to be fabricated in the near future. Owing to the low lattice thermal conductivity in monolayer MoS{sub 2}, and the increased transistor density accompanied with the increased power density, heat dissipation will become a crucial issue for these integrated devices. In this letter, using the formalism of fluctuation electrodynamics, we explored the near-field radiative heat transfer from a monolayer MoS{sub 2} to graphene. We demonstrate that in resonance, the maximum heat transfer via near-field radiation between MoS{sub 2} and graphene can be ten times higher than the in-plane lattice thermal conduction for MoS{sub 2} sheet. Therefore, an efficient thermal management strategy for MoS{sub 2} integrated device is proposed: Graphene sheet is brought into close proximity, 10–20 nm from MoS{sub 2} device; heat energy transfer from MoS{sub 2} to graphene via near-field radiation; this amount of heat energy then be conducted to contact due to ultra-high lattice thermal conductivity of graphene. Our work sheds light for developing cooling strategy for nano devices constructing with low thermal conductivity materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Uniaxial tensile mechanical properties from a scratch on ultra-fine grained tungsten

We demonstrate that surface-based mechanical testing can be used to quantify a wide range of mechanical properties determined using traditional uniaxial tension experiments. These include mapping of dynamic stress–strain behaviour, which can be used as a screening tool for uniaxial tensile ductility (uniform elongation), fracture toughness (K C ), which is shown to be in good agreement with reported plane-strain K IC , as well work-hardening exponents (n), activation volumes (V) energies (Q) and strain-rate sensitivity (m) exponents as a function of temperature. Advantages of the surface-based approach are the ability to work with significantly smaller volumes and accommodate processing defects like pores, voids and cracks. These methods are applied to ultra-fine grained tungsten (average grain size of 650 nm), as it is an ideal candidate for alloy development efforts in advanced energy systems. Tungsten is a useful baseline as it exhibits a near-ambient temperature (approx. 200°C) ductile-to-brittle transition temperature (DBTT), enabling validation efforts for the proposed methods, and extraordinary material properties, including the highest melting temperature of any metal and complex temperature and strain-rate dependencies linked to transitions in dislocation mechanisms.

36 MATERIALS SCIENCE↗

Competing antiferromagnetic-ferromagnetic states in a d 7 Kitaev honeycomb magnet

The Kitaev model is a rare example of an analytically solvable and physically instantiable Hamiltonian yielding a topological quantum spin liquid ground state. Here we report signatures of Kitaev spin liquid physics in the honeycomb magnet Li 3 Co 2 SbO 6 , built of high-spin d 7 (Co 2+ ) ions, in contrast to the more typical low-spin d 5 electron configurations in the presence of large spin-orbit coupling. Neutron powder diffraction measurements, heat capacity, and magnetization studies support the development of a long-range antiferromagnetic order space group of C C 2/m, below T N = 11K at μ 0 H = 0T. The magnetic entropy recovered between T = 2 and 50 K is estimated to be 0.6Rln2, in good agreement with the value expected for systems close to a Kitaev quantum spin liquid state. The temperature-dependent magnetic order parameter demonstrates a β value of 0.19(3), consistent with XY anisotropy and in-plane ordering, with Ising-like interactions between layers. Further, we observe a spin-flop-driven crossover to ferromagnetic order with space group of C2/m under an applied magnetic field of μ 0 H ≈ 0.7T at T = 2K. Magnetic structure analysis demonstrates these magnetic states are competing at finite applied magnetic fields even below the spin-flop transition. Both the d 7 compass model, a quantitative comparison of the specific heat of Li 3 Co 2 SbO 6 , and related honeycomb cobaltates to the anisotropic Kitaev model further support proximity to a Kitaev spin liquid state. Furthermore, this material demonstrates the rich playground of high-spin d 7 systems for spin liquid candidates and complements known d 5 Ir- and Ru-based materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding Cu incorporation in the Cu 2x Hg 2-x GeTe 4 structure using resonant x-ray diffraction

The ability to control carrier concentration based on the extent of Cu solubility in the Cu 2x Hg 2-x GeTe 4 alloy compound (where 0 ≤ x ≤ 1) makes Cu 2x Hg 2-x GeTe 4 an interesting case study in the field of thermoelectrics. While Cu clearly plays a role in this process, it is unknown exactly how Cu incorporates into the Cu 2x Hg 2-x GeTe 4 crystal structure and how this affects the carrier concentration. In this work, we use a combination of resonant energy x-ray diffraction (REXD) experiments and density functional theory (DFT) calculations to elucidate the nature of Cu incorporation into the Cu 2x Hg 2-x GeTe 4 structure. REXD across the Cu k edge facilitates the characterization of Cu incorporation in the Cu 2x Hg 2-x GeTe 4 alloy and enables direct quantification of antisite defects. Here, we find that Cu substitutes for Hg at a 2:1 ratio, wherein Cu annihilates a vacancy and swaps with a Hg atom. DFT calculations confirm this result and further indicate that the incorporation of Cu occurs preferentially on one of the z = 1/4 or z = 3/4 planes before filling the other plane. Furthermore, the amount of Cu Hg antisite defects quantified by REXD was found to be directly proportional to the experimentally measured hole concentration, indicating that the Cu Hg defects are the driving force for tuning carrier concentration in the Cu 2x Hg 2-x GeTe 4 alloy. The link uncovered here between crystal structure, or more specifically antisite defects, and carrier concentration can be extended to similar cation-disordered material systems and will aid the development of improved thermoelectric and other functional materials through defect engineering.

36 MATERIALS SCIENCE↗

First-Principles Simulations of Functional Materials for Energy Conversion

Computational modeling has become a very effective approach in predicting properties of materials, and in designing functional materials with targeted structural, thermal, or optical properties. Many electronic structure methods have been developed, including density functional theory. Among them, DFT has been widely used in physics and materials science because it is computationally cheaper than other methods but still gives desired accuracy. It also provides a good starting point for higher levels of theory, such as many-body perturbation theory and quantum Monte Carlo. In parallel to these electronic structure method developments, a dramatic increase in computing capabilities over the last decade has enabled large-scale electronic structure calculations to address leading-edge materials science problems. In particular, with Theta at the Argonne Leadership Computing Facility (ALCF), our early science project investigated large-scale nanostructured materials for energy conversion and storage using two open-source electronic structure codes Qbox (http://qboxcode.org) and WEST (http://west-code.org). Qbox is an ab-initio molecular dynamics code based on plane wave DFT, and WEST is a post-DFT code for excited state calculations within many-body perturbation theory.

36 MATERIALS SCIENCE↗

Atomistic Studies of Individual Impurities and Impurity Complexes in III-V Semiconductors. Final report

The central hypothesis of our investigation is that reduced symmetries significantly influence the properties of individual impurities and impurity complexes in semiconductors. To disentangle the properties of the local environments of these impurities and impurity complexes from the behavior of an ensemble of impurities, at U. Iowa we performed theoretical calculations of specific local environments and developed the theoretical technology to calculate spin and charge transport through those local environments, in which the contact is a localized probe (scanning tunneling microscopy tip). These calculations were designed to be brought into comparison with experimental measurements made by Prof. Gupta’s group at Ohio State University. The principal environment that we focused on is the (110) surface of GaAs and other III-V semiconductors, because pristine surfaces can be revealed through a natural cleavage plane. We studied how the p-d hybridization of transition-metal dopants is influenced by the energetic location and the local environment’s symmetry-breaking of the d levels, and how the 4f-shell states of rare earth impurities couple to the surroundings. We calculated long-distance properties using tight-binding (linear combination of atomic orbitals, LCAO) Green’s function methods. The spin character of the dopants is often coherent on the time-scale of electronic transport through the region, and so correlations of the spin character of a dopant with that of a spinpolarized STM tip, or another dopant in the vicinity, can influence the measured conductivity from STM. We constructed a robust theory for these effects that can be used to describe quantitatively the measurements made by spin-polarized STM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancing Charge Transport of 2D Perovskite Passivation Agent for Wide-Bandgap Perovskite Solar Cells Beyond 21%

The replacement of a small amount of organic cations with bulkier organic spacer cations in the perovskite precursor solution to form a 2D perovskite passivation agent (2D-PPA) in 3D perovskite thin films has recently become a promising strategy for developing perovskite solar cells (PSCs) with long-term stability and high efficiency. However, the long, bulky organic cations often form a barrier, hindering charge transport. In this study, for the first time, 2D-PPA engineering based on wide-bandgap (~1.68?eV) perovskites are reported. Pentafluorophenethylammonium (F5PEA+) is introduced to partially replace phenylethylammonium (PEA+) as the 2D-PPA, forming a strong noncovalent interaction between the two bulky cations. The charge transport across and within the planes of pure 2D perovskites, based on mixed ammoniums, increases by a factor of five and three compared with that of mono-cation 2D perovskites, respectively. The perovskite films based on mixed-ammonium (F5PEA+-PEA+) 2D-PPA exhibit similar surface morphology and crystal structure, but longer carrier lifetime, lower exciton binding energy, less trap density and higher conductivity, in comparison with those using mono-cation (PEA+) 2D-PPA. The performance of PSCs based on mixed-cation 2D-PPA is enhanced from 19.58% to 21.10% along with improved stability, which is the highest performance for reported wide-bandgap PSCs.

14 SOLAR ENERGY↗

Investigation of δ zirconium hydride morphology in a single crystal using quantitative phase field simulations supported by experiments

In light water nuclear reactors, waterside corrosion of the cladding material leads to the production of hydrogen, a fraction of which is picked up by the zirconium cladding and precipitates into brittle hydride particles. These nanoscale hydride particles aggregate into mesoscale hydride clusters. The principal stacking direction of the nanoscale hydrides precipitated in the cladding tube changes from circumferential in the absence of applied stress to radial under circumferential applied stress. A quantitative phase field model has been developed to predict the hydride morphology observed experimentally and identify the mechanisms responsible for nanoscale hydride stacking. The model focuses on nanoscale hydride precipitation in a single zirconium grain with a detailed description of the anisotropic elastic contribution. The model predictions concerning the shape, orientation, and stacking behavior of nanoscale hydride are analyzed and compared with experimental observations. The model accurately accounts for the experimentally observed elongated nanoscale hydride shape and the stacking of hydrides along the basal plane of the hexagonal zirconium matrix. When investigating the role of applied stress in hydride morphology, the model challenges some of the mechanisms previously proposed to explain hydride reorientation. Finally, although hydride reorientation has been hypothesized to be caused by a change in nanoscale hydride shape, the current study shows that these mechanisms are unlikely to occur.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Compressibility effects in the shear layer over a rectangular cavity

we studied the influence of compressibility on the shear layer over a rectangular cavity of variable width in a free stream Mach number range of 0.6–2.5 using particle image velocimetry data in the streamwise centre plane. As the Mach number increases, the vertical component of the turbulence intensity diminishes modestly in the widest cavity, but the two narrower cavities show a more substantial drop in all three components as well as the turbulent shear stress. Furthermore, this contrasts with canonical free shear layers, which show significant reductions in only the vertical component and the turbulent shear stress due to compressibility. The vorticity thickness of the cavity shear layer grows rapidly as it initially develops, then transitions to a slower growth rate once its instability saturates. When normalized by their estimated incompressible values, the growth rates prior to saturation display the classic compressibility effect of suppression as the convective Mach number rises, in excellent agreement with comparable free shear layer data. The specific trend of the reduction in growth rate due to compressibility is modified by the cavity width.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nonlinear evolution of three-dimensional instabilities of thin and thick electron scale current sheets: Plasmoid formation and current filamentation

Nonlinear evolution of three dimensional electron shear flow instabilities of an electron current sheet (ECS) is studied using electron-magnetohydrodynamic simulations. The dependence of the evolution on current sheet thickness is examined. For thin current sheets (half thickness =d{sub e}=c/ω{sub pe}), tearing mode instability dominates. In its nonlinear evolution, it leads to the formation of oblique current channels. Magnetic field lines form 3-D magnetic spirals. Even in the absence of initial guide field, the out-of-reconnection-plane magnetic field generated by the tearing instability itself may play the role of guide field in the growth of secondary finite-guide-field instabilities. For thicker current sheets (half thickness ∼5 d{sub e}), both tearing and non-tearing modes grow. Due to the non-tearing mode, current sheet becomes corrugated in the beginning of the evolution. In this case, tearing mode lets the magnetic field reconnect in the corrugated ECS. Later thick ECS develops filamentary structures and turbulence in which reconnection occurs. This evolution of thick ECS provides an example of reconnection in self-generated turbulence. The power spectra for both the thin and thick current sheets are anisotropic with respect to the electron flow direction. The cascade towards shorter scales occurs preferentially in the direction perpendicular to the electron flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On testing the Kerr metric of the massive black hole in the galactic center via stellar orbital motion: Full general relativistic treatment

S-stars, discovered in the vicinity of the massive black hole (MBH) in the Galactic center (GC), are anticipated to provide unique dynamical constraints on the MBH spin and metric, in addition to the mass. In this paper, we develop a fast full general relativistic method to simultaneously constrain the MBH mass, spin, and spin direction by considering both the orbital motion of a star close to the GC MBH and the propagation of photons from the star to a distant observer. Based on the current observations and dynamical model predictions, we assume six example stars with different semimajor axes (a{sub orb}) and eccentricities (e{sub orb}) and numerically calculate their projected trajectories in the sky plane and redshift curves. Two of those stars are set to have orbital configurations similar to that of S0-2/S2 and S0-102. We find that the spin-induced effects on the projected trajectory and redshift curve of a given star, including the leading term by the Lense–Thirring precession and the frame dragging, and the high-order precession due to the quadruple moment, depend on both the absolute value and the direction of the spin. The maximum values of the spin-induced position displacement and the redshift differences of the star over a full orbit may differ by a factor of several to more than one order of magnitude for two cases with significantly different spin directions. The dependence patterns of the position displacements and redshift differences on the spin direction are different, and thus the position and the redshift data are complementary for constraining the MBH spin and its direction. Adopting the Markov Chain Monte Carlo fitting technique, we illustrate that the spin of the GC MBH is likely to be well constrained by using the motion of S0-2/S2 over a period of ∼45 years if the spin is close to one and if the astrometric and spectroscopic precisions can be as high as (σ{sub p},σ{sub Z})∼(10 μas,1 km s{sup −1}), which is expected to be realized by future facilities like GRAVITY on the Very Large Telescope Interferometer, the thirty meter telescope, and the European extremely large telescope. If σ{sub p} and σ{sub Z} can be further improved by a factor of several, the MBH spin can be well constrained by monitoring S0-2/S2 over a period of ∼15 years. In the mean time, the distance from the sun to the GC and the MBH mass can also be constrained to an unprecedented accuracy (0.01%–0.1%). If there exists a star with a semimajor axis that is a few times smaller, and eccentricity larger, than those of S0-2/S2, the MBH spin and its direction can be constrained with high accuracy over a period of ≲10 years by future facilities, even if the spin is only moderately large. Our results suggest that long-term monitoring of the motions of stars in the vicinity of the GC MBH by the next generation facilities is likely to provide a dynamical test, for the first time, to the spin and metric of the GC MBH.

79 ASTRONOMY AND ASTROPHYSICS↗

CAMIS: A Cylindrical Active Mask Imaging System

Detecting and locating radiological and nuclear materials at distances of 10 m or more in urban and cluttered environments continues to pose challenges in nuclear security and proliferation detection. Previous approaches have focused on large-area radiation imaging using planar configurations of detectors and passive masks. However, these approaches suffer from limitations such as limited field-of-view (FOV) and reduced detection efficiency due to absorption in the mask. To address these limitations, we have developed the cylindrical active mask imaging system (CAMIS). This system comprises 128 NaI(Tl) (10 cm)3 detectors. These detectors are arranged in a cylindrical configuration, enabling gamma-ray imaging with a full 360° azimuthal FOV. The active mask elements within the system are arranged in a pseudorandom configuration, providing unique encoding for all incident directions within the FOV. CAMIS offers an effective detection area of approximately 1 m2 across the entire 360° FOV in the horizontal plane, achieving a mean angular resolution of 10.9° in the azimuthal direction and 12.9° in the polar direction measured by taking the full-width at half-maximum (FWHM) of a cross-section at the maximum reconstructed intensity.

Lamb, C↗

The DESI instrument control systems: status and early testing

The Dark Energy Spectroscopic Instrument (DESI) is a new instrument currently under construction for the Mayall 4-m telescope at Kitt Peak National Observatory. It will consist of a wide-field optical corrector with a 3.2 degree diameter field of view, a focal plane with 5,000 robotically controlled fiber positioners and 10 fiber-fed broad-band spectrographs. The DESI Instrument Control System (ICS) coordinates fiber positioner operations, interfaces to the Mayall telescope control system, monitors operating conditions, reads out the 30 spectrograph CCDs and provides observer support and data quality monitoring. In this paper, we summarize the ICS design, review the current status of the project and present results from a multi-stage test plan that was developed to ensure the system is fully operational by the time the instrument arrives at the observatory in 2019.

79 ASTRONOMY AND ASTROPHYSICS↗

Implement and Test 3D Mortar Contact in BISON

We leverage the extension of the generation of mortar segment meshes to three dimensions in MOOSE’s framework to extend thermomechanical modeling capabilities to problems with three dimensions. A modular approach to gap heat transfer physics using the mortar finite element method was created and documented, mechanical contact was extended to three dimensions—including frictional behavior, performance and ease of use were improved, and steps towards scalability of solid mechanics problems involving contact were taken. Many of these new developments are demonstrated in the simulation of 3D light-water reactor (LWR) problems, where the thermomechanical interface problem is solved using the mortar finite element method. Usage of the mortar framework has improved convergence in 2D problems and has enabled employing friction in 3D problems, of which we show results of a short, local stack of 3D pellets. Consequently, the benefits of mortar in terms of solution convergence and quality are extended to three dimensions. Section 2 discusses fundamental developments that enabled the simulation of practical mortar problems in three dimensions and other general improvements, including the reduction of the derivative container size, the modification of dual basis computations when edge dropping (lack of secondary element projection) takes place, the improvement of conditioning when employing the VCP in-edge dropping conditions, and code usability and quality improvements. These latter code enhancements include the migration of tests using “old” mortar contact constraints to using dual mortar with a semi-smooth Newton solution strategy and the reuse of lower dimensional domains for straightforwardly setting up a mortar thermomechanical LWR problem, i.e. the MOOSE action is employed for mechanical contact and the thermal LWR action is employed to capture the gas conductance, contact, and radiation components of gap heat transfer physics. Independently of the mortar LWR thermal action, we developed a modular approach to gap heat transfer that resides in MOOSE and can be leveraged, e.g., in metallic fuel problems. This approach, whose code design based on MOOSE’s user objects to model specific physics was proposed by the maintenance activity, is detailed in Section 3. Based on the dual mortar finite element method, the frictional contact constraints were extended to three dimensions. A block sheared in two directions in and out of contact with a rigid plane is employed in Section 4 to show the way the approach handles changes in frictional states (e.g. stick to slip) within a competitive number of Newton iterations. Equations and numerical results on the use of the VCP with Cartesian Lagrange multipliers, whose combination enables their direct condensation, are described in Section 5.3. Two-dimensional and three-dimensional BISON LWR simulations are discussed in Section 6. Particularly, a stack of five eccentric pellets with a surface defect is simulated and the effect of pellet-cladding friction is assessed. Finally, conclusions are outlined in Section 7.

42 ENGINEERING↗