Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PRESERVATION”

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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Optical spectroscopy of sputtered nanometer-thick yttrium iron garnet films

Nanometer (nm)-thick yttrium iron garnet (Y{sub 3}Fe{sub 5}O{sub 12}, YIG) films present interest for spintronics. This work employs spectral ellipsometry and magneto-optic Kerr effect (MOKE) spectra to characterize nm-thick YIG films grown on single-crystal Gd{sub 3}Ga{sub 5}O{sub 12} substrates by magnetron sputtering. The thickness (t) of the films ranges between 10 nm and 40 nm. Independent on t, the polar MOKE hysteresis loops saturate in the field of about 1.8 kOe, consistent with the saturation magnetization in bulk YIG (4πM{sub s} ≈ 1.75 kG). The MOKE spectrum measured at photon energies between 1.3 eV and 4.5 eV on the 38-nm-thick film agrees with that measured on single-crystal YIG bulk materials. The MOKE spectrum of the 12-nm-thick film still preserves the structure of the bulk YIG but its amplitude at lower photon energies is modified due to the fact that the radiation penetration depth exceeds 20 nm. The t dependence of the MOKE amplitude is consistent with MOKE calculations. The results indicate that the films are stoichiometric, strain free, without Fe{sup 2+}, and preserve bulk YIG properties down to t ≈ 10 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Flux tube train model for local turbulence simulation of toroidal plasmas

A new simulation method for local turbulence in toroidal plasmas is developed by extending the conventional idea of the flux tube model. In the new approach, a train of flux tubes is employed, where flux tube simulation boxes are serially connected at each end along a field line so as to preserve a symmetry of the local gyrokinetic equations for image modes in an axisymmetric torus. Validity of the flux tube train model is confirmed against the toroidal ion temperature gradient turbulence for a case with a long parallel correlation of fluctuations, demonstrating numerical advantages over the conventional method in the time step size and the symmetry-preserving property.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

McMillan-Rowell Like Oscillations in a Superconductor-InAs/GaSb-Superconductor Junction

We fabricated a superconductor (Ta)-InAs/GaSb bilayer-superconductor (Ta) junction device that has a long mean free path and can preserve the wavelike properties of particles (electrons and holes) inside the junction. Differential conductance measurements were also carried out at low temperatures in this device, and McMillan-Rowell like oscillations (MROs) were observed. A much larger Fermi velocity, compared to that from Shubnikov-de Haas oscillations, was obtained from the frequency of MROs. Possible mechanisms are discussed for this discrepancy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Giant supercurrent states in a superconductor-InAs/GaSb-superconductor junction

Superconductivity in topological materials has attracted a great deal of interest in both electron physics and material sciences since the theoretical predictions that Majorana fermions can be realized in topological superconductors. Topological superconductivity could be realized in a type II, band-inverted, InAs/GaSb quantum well if it is in proximity to a conventional superconductor. Here, we report observations of the proximity effect induced giant supercurrent states in an InAs/GaSb bilayer system that is sandwiched between two superconducting tantalum electrodes to form a superconductor-InAs/GaSb-superconductor junction. Electron transport results show that the supercurrent states can be preserved in a surprisingly large temperature-magnetic field (T – H) parameter space. In addition, the evolution of differential resistance in T and H reveals an interesting superconducting gap structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism

The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables, and the memory kernel is evaluated directly from microscopic dynamics. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while the corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons between the CG models with Markovian and non-Markovian approximations indicate that including the memory effects using NM-DPD yields similar results as the Markovian-based DPD if the system has clear time scale separation. However, for systems with small separation of time scales, NM-DPD can reproduce correct short-time properties that are related to how the system responds to high-frequency disturbances, which cannot be captured by the Markovian-based DPD model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology

A theoretically informed entangled polymer simulation approach is presented for description of the linear and non-linear rheology of entangled polymer melts. The approach relies on a many-chain representation and introduces the topological effects that arise from the non-crossability of molecules through effective fluctuating interactions, mediated by slip-springs, between neighboring pairs of macromolecules. The total number of slip-springs is not preserved but, instead, it is controlled through a chemical potential that determines the average molecular weight between entanglements. The behavior of the model is discussed in the context of a recent theory for description of homogeneous materials, and its relevance is established by comparing its predictions to experimental linear and non-linear rheology data for a series of well-characterized linear polyisoprene melts. The results are shown to be in quantitative agreement with experiment and suggest that the proposed formalism may also be used to describe the dynamics of inhomogeneous systems, such as composites and copolymers. Importantly, the fundamental connection made here between our many-chain model and the well-established, thermodynamically consistent single-chain mean-field models provides a path to systematic coarse-graining for prediction of polymer rheology in structurally homogeneous and heterogeneous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Epitaxial growth of three dimensionally structured III-V photonic crystal via hydride vapor phase epitaxy

Three-dimensional (3D) photonic crystals are one class of materials where epitaxy, and the resultant attractive electronic properties, would enable new functionalities for optoelectronic devices. Here we utilize self-assembled colloidal templates to fabricate epitaxially grown single crystal 3D mesostructured Ga{sub x}In{sub 1−x}P (GaInP) semiconductor photonic crystals using hydride vapor phase epitaxy (HVPE). The epitaxial relationship between the 3D GaInP and the substrate is preserved during the growth through the complex geometry of the template as confirmed by X-ray diffraction (XRD) and high resolution transmission electron microscopy. XRD reciprocal space mapping of the 3D epitaxial layer further demonstrates the film to be nearly fully relaxed with a negligible strain gradient. Fourier transform infrared spectroscopy reflection measurement indicates the optical properties of the photonic crystal which agree with finite difference time domain simulations. This work extends the scope of the very few known methods for the fabrication of epitaxial III-V 3D mesostructured materials to the well-developed HVPE technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On the inward drift of runaway electrons during the plateau phase of runaway current

The well observed inward drift of current carrying runaway electrons during runaway plateau phase after disruption is studied by considering the phase space dynamic of runaways in a large aspect ratio toroidal system. We consider the case where the toroidal field is unperturbed and the toroidal symmetry of the system is preserved. The balance between the change in canonical angular momentum and the input of mechanical angular momentum in such a system requires runaways to drift horizontally in configuration space for any given change in momentum space. The dynamic of this drift can be obtained by integrating the modified Euler-Lagrange equation over one bounce time. It is then found that runaway electrons will always drift inward as long as they are decelerating. This drift motion is essentially non-linear, since the current is carried by runaways themselves, and any runaway drift relative to the magnetic axis will cause further displacement of the axis itself. A simplified analytical model is constructed to describe such inward drift both in the ideal wall case and no wall case, and the runaway current center displacement as a function of parallel momentum variation is obtained. The time scale of such displacement is estimated by considering effective radiation drag, which shows reasonable agreement with the observed displacement time scale. Furthermore, this indicates that the phase space dynamic studied here plays a major role in the horizontal displacement of runaway electrons during plateau phase. (C) 2016 AIP Publishing LLC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

First-principles study of crystalline and amorphous AlMgB{sub 14}-based materials

We report first-principles investigations of crystalline and amorphous boron and M1{sub x}M2{sub y}X{sub z}B{sub 14−z} (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm{sup −1}, whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm{sup −1}. The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B{sub 12} units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

In-plane current-driven spin-orbit torque switching in perpendicularly magnetized films with enhanced thermal tolerance

Here, we study spin-orbit-torque (SOT)-driven magnetization switching in perpendicularly magnetized Ta/Mo/Co 40 Fe 40 B 20 (CoFeB)/MgO films. The thermal tolerance of the perpendicular magnetic anisotropy (PMA) is enhanced, and the films sustain the PMA at annealing temperatures of up to 430 C, due to the ultra-thin Mo layer inserted between the Ta and CoFeB layers. More importantly, the Mo insertion layer also allows for the transmission of the spin current generated in the Ta layer due to spin Hall effect, which generates a damping-like SOT and is able to switch the perpendicular magnetization. When the Ta layer is replaced by a Pt layer, i.e., in a Pt/Mo/CoFeB/MgO multilayer, the direction of the SOT-induced damping-like effective field becomes opposite because of the opposite sign of spin Hall angle in Pt, which indicates that the SOT-driven switching is dominated by the spin current generated in the Ta or Pt layer rather than the Mo layer. Quantitative characterization through harmonic measurements reveals that the large SOT effective field is preserved for high annealing temperatures. This work provides a route to applying SOT in devices requiring high temperature processing steps during the back-end-of-line processes.

42 ENGINEERING↗
DOE OSTI2016

Singlet-paired coupled cluster theory for open shells

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior for strong correlation without requiring symmetry breaking in the reference. In this, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.

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

Explicit high-order noncanonical symplectic algorithms for ideal two-fluid systems

Here, an explicit high-order noncanonical symplectic algorithm for ideal two-fluid systems is developed. The fluid is discretized as particles in the Lagrangian description, while the electromagnetic fields and internal energy are treated as discrete differential form fields on a fixed mesh. With the assistance of Whitney interpolating forms, this scheme preserves the gauge symmetry of the electromagnetic field, and the pressure field is naturally derived from the discrete internal energy. The whole system is solved using the Hamiltonian splitting method discovered by He et al. [Phys. Plasmas 22, 124503 (2015)], which was been successfully adopted in constructing symplectic particle-in-cell schemes. Because of its structure preserving and explicit nature, this algorithm is especially suitable for large-scale simulations for physics problems that are multi-scale and require long-term fidelity and accuracy. The algorithm is verified via two tests: studies of the dispersion relation of waves in a two-fluid plasma system and the oscillating two-stream instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Numerical simulation of the geometrical-optics reduction of CE2 and comparisons to quasilinear dynamics

Zonal flows have been observed to appear spontaneously from turbulence in a number of physical settings. A complete theory for their behavior is still lacking. Recently, a number of studies have investigated the dynamics of zonal flows using quasilinear (QL) theories and the statistical framework of a second-order cumulant expansion (CE2). A geometrical-optics (GO) reduction of CE2, derived under an assumption of separation of scales between the fluctuations and the zonal flow, is studied here numerically. The reduced model, CE2-GO, has a similar phase-space mathematical structure to the traditional wave-kinetic equation, but that wave-kinetic equation has been shown to fail to preserve enstrophy conservation and to exhibit an ultraviolet catastrophe. CE2-GO, in contrast, preserves nonlinear conservation of both energy and enstrophy. We show here how to retain these conservation properties in a pseudospectral simulation of CE2-GO. We then present nonlinear simulations of CE2-GO and compare with direct simulations of quasilinear (QL) dynamics. Furthermore, we find that CE2-GO retains some similarities to QL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Degenerate variational integrators for magnetic field line flow and guiding center trajectories

Symplectic integrators offer many benefits for numerically approximating solutions to Hamiltonian differential equations, including bounded energy error and the preservation of invariant sets. Two important Hamiltonian systems encountered in plasma physics—the flow of magnetic field lines and the guiding center motion of magnetized charged particles—resist symplectic integration by conventional means because the dynamics are most naturally formulated in non-canonical coordinates. New algorithms were recently developed using the variational integration formalism; however, those integrators were found to admit parasitic mode instabilities due to their multistep character. This work eliminates the multistep character, and therefore the parasitic mode instabilities via an adaptation of the variational integration formalism that we deem “degenerate variational integration.” Both the magnetic field line and guiding center Lagrangians are degenerate in the sense that the resultant Euler-Lagrange equations are systems of first-order ordinary differential equations. We show that retaining the same degree of degeneracy when constructing discrete Lagrangians yields one-step variational integrators preserving a non-canonical symplectic structure. Lastly, numerical examples demonstrate the benefits of the new algorithms, including superior stability relative to the existing variational integrators for these systems and superior qualitative behavior relative to non-conservative algorithms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Observation of multipath effects in the detection of RF-modulated x-rays

As part of the Air Force Research Laboratory’s ongoing research in particle accelerators and beams, we recently began investigating the interaction of RF-modulated x-ray beams with RF structures. Additionally, these bremsstrahlung x-rays, produced using an S-band RF electron linac and tungsten foil, were able to drive RF signals at the linac frequency and its integer harmonics in an S-band waveguide. This was interpreted as a result of secondary electron production inside the waveguide by the modulated x-ray beam and implied that the primary electron beam RF modulation was preserved, to at least some degree, through both the processes of x-ray and secondary electron production. The strength of these signals induced on the waveguide varied as the distance of the waveguide from the tungsten foil changed, with the nature of these changes suggesting the existence of an interference process resulting from multipath propagation of the modulated x-rays. Here, we report on our initial attempt to verify this multipath propagation by altering the configuration of shielding and reflective masses in the environment of the waveguide. Finally, these measurements support the existence of a multipath propagation effect and further indicate that the RF modulation of the x-rays is preserved as they undergo scattering events inside the accelerator vault.

43 PARTICLE ACCELERATORS↗