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Results for “Adiabatic approximation”

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At least 379 records · Page 21

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NASA NTRS1984

The time development of a blast wave with shock-heated electrons

Accurate approximations are presented for the time development of both edge conditions and internal structures of a blast wave with shock heated electrons, and equal ion and electron temperatures at the shock. The cases considered evolve in cavities with power law ambient densities (including the uniform ambient density case) and have negligible external pressure. Account is taken of possible saturation of the thermal conduction flux. The structures evolve smoothly to the adiabatic structures.

Edgar, R. J.↗

DOE OSTI2022

Role of non-gaussian quantum fluctuations in neutrino entanglement

The flavor evolution of neutrinos in environments with large neutrino number densities is an open problem at the nexus of astrophysics and neutrino flavor physics. Among the many unanswered questions pertaining to this problem, it remains to be determined whether neutrino-neutrino coherent scattering can give rise to nontrivial quantum entanglement among neutrinos, and whether this can affect the flavor evolution in a meaningful way. To gain further insight into this question, here we study a simple system of two interacting neutrino beams, and obtain the exact phase-space explored by this system using the Husimi quasi-probability distribution. We observe that the entanglement induced by the coupling leads to strong delocalization in phase-space with largely non-Gaussian quantum fluctuations. The link between the neutrino entanglement and quantum fluctuations is illustrated using the one- and two-neutrino entropy. In addition, we propose an approximate phase-space method to describe the interacting neutrinos problem, where the exact evolution is replaced by a set of independent mean-field evolutions with a statistical sampling of the initial conditions. The phase-space approach provides a simple and accurate method to describe the gross features of the neutrino entanglement problem. Applications are shown using time-independent and time-dependent Hamiltonians in the non-adiabatic regime.

Patwardhan, Amol↗

NASA NTRS1993

Numerical simulations of galactic wakes

We have performed a series of numerical simulations which examine the simple but realistic case of a galaxy with a smooth potential corresponding to a King profile, and with no interstellar medium. This corresponds to the case of an early-type cluster galaxy that has previously been stripped of its gas. The simulations provide a numerical basis for future work involving galaxies with interstellar media. We use a time-explicit finite difference code (Lufkin & Hawley 1992, ApJ submitted) to obtain solutions to the nonlinear equations for adiabatic flow in axisymmetry. The computational grid covers a region extending 500 kpc from a stationary galaxy radially and along the symmetry axis. We use a graded mesh, allowing for full resolution near the galaxy. Because the assumed potential has a finite depth, no artificial inner boundary condition is necessary; reflection symmetry at the axis is assumed. With a total grid size of 64 radial x 128 vertical, each run requires approximately 5 minutes of cpu time on the NCSA Cray-2.

Lufkin, Eric A.↗

NASA NTRS2003

Quantum Adiabatic Optimization and Combinatorial Landscapes

In this paper we analyze the performance of the Quantum Adiabatic Evolution (QAE) algorithm on a variant of Satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, gamma = M / N. We introduce a set of macroscopic parameters (landscapes) and put forward an ansatz of universality for random bit flips. We then formulate the problem of finding the smallest eigenvalue and the excitation gap as a statistical mechanics problem. We use the so-called annealing approximation with a refinement that a finite set of macroscopic variables (verses only energy) is used, and are able to show the existence of a dynamic threshold gamma = gammad, beyond which QAE should take an exponentially long time to find a solution. We compare the results for extended and simplified sets of landscapes and provide numerical evidence in support of our universality ansatz.

Smelyanskiy, V. N.↗

DOE OSTI2024

The vertical-velocity skewness in the inertial sublayer of turbulent wall flows

Empirical evidence is provided that within the inertial sublayer (i.e. logarithmic region) of adiabatic turbulent flows over smooth walls, the skewness of the vertical-velocity component 𝑆 𝑤 displays universal behaviour, being a positive constant and constrained within the range 𝑆 𝑤 ≈ 0.1–0.16, regardless of flow configuration and Reynolds number. A theoretical model is then proposed to explain this behaviour, including the observed range of variations of 𝑆 𝑤 . The proposed model clarifies why 𝑆 𝑤 cannot be predicted from down-gradient closure approximations routinely employed in large-scale meteorological and climate models. The proposed model also offers an alternative and implementable approach for such large-scale models.

turbulent boundary layers↗

NASA NTRS1978

Evidence for solar wind origin of energetic heavy ions in the earth's radiation belt

Analysis of data from our energetic ion composition experiment on ISEE-1 has revealed the presence of substantial fluxes of carbon, oxygen, and heavier ions above 400 keV/nucleon at L values between approximately 2.5 and 4 earth radii. The measured C/O ratio varies systematically from 1.3 at 450 keV/nucleon to 4.1 at 1.3 MeV/nucleon, and no iron is observed above 200 keV/nucleon. These results provide strong evidence for a solar wind origin for energetic ions in the outer radiation belt. The absence of iron and the increase of the carbon-to-oxygen ratio with energy suggest that the condition for the validity of the first adiabatic invariant may have a strong influence on the trapping of these particles.

Hovestadt, D.↗

NASA NTRS1994

Three-Dimensional Navier-Stokes Method with Two-Equation Turbulence Models for Efficient Numerical Simulation of Hypersonic Flows

A new computational efficient 3-D compressible Reynolds-averaged implicit Navier-Stokes method with advanced two equation turbulence models for high speed flows is presented. All convective terms are modeled using an entropy satisfying higher-order Total Variation Diminishing (TVD) scheme based on implicit upwind flux-difference split approximations and arithmetic averaging procedure of primitive variables. This method combines the best features of data management and computational efficiency of space marching procedures with the generality and stability of time dependent Navier-Stokes procedures to solve flows with mixed supersonic and subsonic zones, including streamwise separated flows. Its robust stability derives from a combination of conservative implicit upwind flux-difference splitting with Roe's property U to provide accurate shock capturing capability that non-conservative schemes do not guarantee, alternating symmetric Gauss-Seidel 'method of planes' relaxation procedure coupled with a three-dimensional two-factor diagonal-dominant approximate factorization scheme, TVD flux limiters of higher-order flux differences satisfying realizability, and well-posed characteristic-based implicit boundary-point a'pproximations consistent with the local characteristics domain of dependence. The efficiency of the method is highly increased with Newton Raphson acceleration which allows convergence in essentially one forward sweep for supersonic flows. The method is verified by comparing with experiment and other Navier-Stokes methods. Here, results of adiabatic and cooled flat plate flows, compression corner flow, and 3-D hypersonic shock-wave/turbulent boundary layer interaction flows are presented. The robust 3-D method achieves a better computational efficiency of at least one order of magnitude over the CNS Navier-Stokes code. It provides cost-effective aerodynamic predictions in agreement with experiment, and the capability of predicting complex flow structures in complex geometries with good accuracy.

Bardina, J. E.↗

NASA NTRS2008

Unsteady Analysis of Blade and Tip Heat Transfer as Influenced by the Upstream Momentum and Thermal Wakes

The effect of the upstream wake on the blade heat transfer has been numerically examined. The geometry and the flow conditions of the first stage turbine blade of GE s E3 engine with a tip clearance equal to 2 percent of the span was utilized. Based on numerical calculations of the vane, a set of wake boundary conditions were approximated, which were subsequently imposed upon the downstream blade. This set consisted of the momentum and thermal wakes as well as the variation in modeled turbulence quantities of turbulence intensity and the length scale. Using a one-blade periodic domain, the distributions of unsteady heat transfer rate on the turbine blade and its tip, as affected by the wake, were determined. Such heat transfer coefficient distribution was computed using the wall heat flux and the adiabatic wall temperature to desensitize the heat transfer coefficient to the wall temperature. For the determination of the wall heat flux and the adiabatic wall temperatures, two sets of computations were required. The results were used in a phase-locked manner to compute the unsteady or steady heat transfer coefficients. It has been found that the unsteady wake has some effect on the distribution of the time averaged heat transfer coefficient on the blade and that this distribution is different from the distribution that is obtainable from a steady computation. This difference was found to be as large as 20 percent of the average heat transfer on the blade surface. On the tip surface, this difference is comparatively smaller and can be as large as four percent of the average.

Ameri, Ali A.↗

NASA NTRS2014

Energetic Electrons in Dipolarization Events: Spatial Properties and Anisotropy

Using the electromagnetic fields of an MHD simulation of magnetotail reconnection, flow bursts, and dipolarization, we further investigate the acceleration of electrons to suprathermal energies. Particular emphasis is on spatial properties and anisotropies as functions of energy and time. The simulation results are compared with Time History of Events and Macroscale Interactions during Substorms observations. The test particle approach successfully reproduces several observed injection features and puts them into a context of spatial maps of the injection region(s): a dominance of perpendicular anisotropies farther down the tail and closer to the equatorial plane, an increasing importance of parallel anisotropy closer to Earth and at higher latitudes, a drop in energy fluxes at energies below approximately 10 keV, coinciding with the plasma density drop, together with increases at higher energy, a triple peak structure of flux increases near 0 deg, 90 deg, and 180 deg, and a tendency of flux increases to extend to higher energy closer to Earth and at lower latitudes. We identified the plasma sheet boundary layers and adjacent lobes as a main source region for both increased and decreased energetic electron fluxes, related to the different effects of adiabatic acceleration at high and low energies. The simulated anisotropies tend to exceed the observed ones, particularly for perpendicular fluxes at high energies. The most plausible reason is that the MHD simulation lacks the effects of anisotropy-driven microinstabilities and waves, which would reduce anisotropies.

anisotropy↗

DOE OSTI2022

Polyimide aerogels for ballistic impact protection

The ballistic performance of edge-clamped monolithic polyimide aerogel blocks (12 mm thickness) has been studied through a series of impact tests using a helium-filled gas gun connected to a vacuum chamber and a spherical steel projectile (approximately 3 mm diameter) with an impact velocity range of 150–1300 m s -1 . The aerogels had an average bulk density of 0.17 g cm -3 with high porosity of approximately 88%. The ballistic limit velocity of the aerogels was estimated to be in the range of 175–179 m s -1 . Moreover, the aerogels showed a robust ballistic energy absorption performance (e.g., at the impact velocity of 1283 m s -1 at least 18% of the impact energy was absorbed). At low impact velocities, the aerogels failed by ductile hole enlargement followed by a tensile failure. By contrast, at high impact velocities, the aerogels failed through an adiabatic shearing process. Given the substantially robust ballistic performance, the polyimide aerogels have a potential to combat multiple constraints such as cost, weight, and volume restrictions in aeronautical and aerospace applications with high blast resistance and ballistic performance requirements such as in stuffed Whipple shields for orbital debris containment application.

42 ENGINEERING↗

NASA NTRS1990

Ion precipitation from the inner plasma sheet due to stochastic diffusion

Plasma sheet ions do not conserve their first adiabatic invariant when the magnetic field is appreciably tail-like. They do conserve a different adiabatic invariant but only to linear, rather than exponential, accuracy in the appropriate small parameter. Thus significant stochastic diffusion can occur for particles crossing the separatrix dividing the segments of orbits on which the particles cross and do not cross the tail midplane. Such ions can escape the plasma sheet and precipitate into the atmosphere. Stochastic scattering is strongest from those field lines where the ion's Larmor period in the normal component of the neutral sheet magnetic field approximately equals its bounce period. By comparing the rates of stochastic ion loss and convection in the tail, it is possible to estimate the location and thickness of the inner edge of the ion plasma sheet created by stochastic ion loss. Ions of different masses precipitate into the atmosphere at slightly different locations. Since wave particle interactions are not needed, this precipitation will always occur and should be particularly evident during quiet geomagnetic conditions, when it is less likely to be masked by other precipitation mechanisms.

Zelenyi, L.↗

NASA NTRS1979

Numerical solution of the Navier-Stokes equations for laminar, transonic flows

An implicit finite difference solution of the Navier-Stokes equations yielded time histories of the transonic laminar flow development about a circular cylinder and NACA-0018 airfoil. Reynolds numbers ranged from those corresponding to purely laminar flow to those corresponding to significant turbulence in the boundary layer. Body thermal conditions of an adiabatic wall and a specified body temperature were considered. Versatility in treating arbitrary bodies was incorporated by using numerically generated, body-fitted coordinate transformations. Solution of the simultaneous difference equations for the dependent variables was obtained using an accelerated Gauss-Seidel iterative scheme. Computational results are presented in the form of velocity vector fields, Mach number contours, aerodynamic coefficients, heat transfer rates at the body surface, and body temperature distributions. Truncation analyses of first and second derivative difference approximations resulted in general criteria for numerically generated coordinates so that flow near a body is more accurately represented.

Turner, L., III↗

DOE OSTI2024

Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane

Abstract The light-induced ultrafast switching between molecular isomers norbornadiene and quadricyclane can reversibly store and release a substantial amount of chemical energy. Prior work observed signatures of ultrafast molecular dynamics in both isomers upon ultraviolet excitation but could not follow the electronic relaxation all the way back to the ground state experimentally. Here we study the electronic relaxation of quadricyclane after exciting in the ultraviolet (201 nanometres) using time-resolved gas-phase extreme ultraviolet photoelectron spectroscopy combined with non-adiabatic molecular dynamics simulations. We identify two competing pathways by which electronically excited quadricyclane molecules relax to the electronic ground state. The fast pathway (<100 femtoseconds) is distinguished by effective coupling to valence electronic states, while the slow pathway involves initial motions across Rydberg states and takes several hundred femtoseconds. Both pathways facilitate interconversion between the two isomers, albeit on different timescales, and we predict that the branching ratio of norbornadiene/quadricyclane products immediately after returning to the electronic ground state is approximately 3:2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Computing molecular excited states on a D-Wave quantum annealer

Abstract The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years. The potential of quantum annealers, which are the prototypes of adiabatic quantum computers, is yet to be fully explored. In this work, we demonstrate the use of a D-Wave quantum annealer for the calculation of excited electronic states of molecular systems. These simulations play an important role in a number of areas, such as photovoltaics, semiconductor technology and nanoscience. The excited states are treated using two methods, time-dependent Hartree–Fock (TDHF) and time-dependent density-functional theory (TDDFT), both within a commonly used Tamm–Dancoff approximation (TDA). The resulting TDA eigenvalue equations are solved on a D-Wave quantum annealer using the Quantum Annealer Eigensolver (QAE), developed previously. The method is shown to reproduce a typical basis set convergence on the example $$\hbox {H}_2$$ H 2 molecule and is also applied to several other molecular species. Characteristic properties such as transition dipole moments and oscillator strengths are computed as well. Three potential energy profiles for excited states are computed for $$\hbox {NH}_3$$ NH 3 as a function of the molecular geometry. Similar to previous studies, the accuracy of the method is dependent on the accuracy of the intermediate meta-heuristic software called qbsolv.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Framework for phase transitions between the Maxwell and Gibbs constructions

By taking the nucleon-to-quark phase transition within a neutron star as an example, we present a thermodynamically consistent method to calculate the equation of state of ambient matter so that transitions that are intermediate to those of the familiar Maxwell and Gibbs constructions can be described. This method does not address the poorly known surface tension between the two phases microscopically (as, for example, in the calculation of the core pasta phases via the Wigner-Seitz approximation) but instead combines the local and global charge neutrality conditions characteristic of the Maxwell and Gibbs constructions, respectively. Overall charge neutrality is achieved by dividing the leptons to those that obey local charge neutrality (Maxwell) and those that maintain global charge neutrality (Gibbs). The equation of state is obtained by using equilibrium constraints derived from minimizing the total energy density. The results of this minimization are then used to calculate neutron star mass-radius curves, tidal deformabilities, equilibrium and adiabatic sound speeds, and nonradial g-mode oscillation frequencies for several intermediate constructions. Various quantities of interest transform smoothly from their Gibbs structures to those of Maxwell as the local-to-total electron ratio η, introduced to mimic the hadron-to-quark interface tension from 0 (Gibbs) to ∞ (Maxwell), is raised from 0 to 1. As a result, a notable exception is the g-mode frequency for the specific case of η = 1 for which a gap appears between the quark and hadronic branches.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1993

Stormtime transport of ring current and radiation belt ions

A dynamical guiding-center simulation model is used to study the stormtime ion transport which leads to the formation of the ring current and diffusion in the radiation belts. Representative ions guiding-center motion in response to model storm-associated impulses in the convection electric field is traced for a range of ion mu values. The present numerical results are compared with previously formulated limiting idealization of particle transport in order to assess the limits of validity of these approximations. For ions having drift periods that exceed the duration of the main phase of the storm, their inward transport to form the stormtime ring current is appropriately described as direct convective access. For ions having drift periods comparable to the duration of the main phase of the storm, there is a transition between direct convective access and transport that resembles radial diffusion. Lower-energy ring-current ions at L of about 3 are freshly injected there from open adiabatic trajectories, whereas the higher-energy ring-current population consists of a mixture of freshly injected and previously trapped ions.

Chen, Margaret W.↗

DOE OSTI2020

First-principles calculation of the configurational energy density of states for a solid-state ion conductor with a variant of the Wang and Landau algorithm

In this work, a variant of the Wang and Landau algorithm for calculation of the configurational energy density of states is proposed. The algorithm was developed for the purpose of using first-principles simulations, such as density functional theory, to calculate the partition function of disordered sublattices in crystal materials. The expensive calculations of first-principles methods make a parallel algorithm necessary for a practical computation of the configurational energy density of states within a supercell approximation of a solid-state material. The algorithm developed in this work is tested with the two-dimensional (2d) Ising model to bench mark the algorithm and to help provide insight for implementation to a materials science application. Tests with the 2d Ising model revealed that the algorithm has good performance compared to the original Wang and Landau algorithm and the 1/$\textit{t}$ algorithm, in particular the short iteration performance. Further, a proof of convergence is presented within an adiabatic assumption, and the analysis is able to correctly predict the time dependence of the modification factor to the density of states. The algorithm was then applied to the lithium and lanthanum sublattice of the solid-state lithium ion conductor Li 0.5 La 0.5 TiO 3 . This was done to help understand the disordered nature of the lithium and lanthanum. The results find, overall, that the algorithm performs very well for the 2d Ising model and that the results for Li 0.5 La 0.5 TiO 3 are consistent with experiment while providing additional insight into the lithium and lanthanum ordering in the material. The primary result is that the lithium and lanthanum become more mixed between layers along the c axis for increasing temperature. In part, the simulation of the disordered Li 0.5 La 0.5 TiO 3 system serves as a benchmark for what size systems are currently and in the near future practical to calculate with density functional theory methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Simplified Model and Approach to Transform Infrared Surface Temperature to Film Effectiveness in a Conjugate Heat Transfer Experiment

This paper describes a simplified engineering model based on a one-dimensional thermal resistance network. The model is used to develop a new method to relate film cooling effectiveness and heat transfer augmentation to local overall cooling effectiveness in a conjugate flat plate experiment. This paper presents experimental proof-of-concept data to demonstrate the potential for this model. In contrast to previous approaches, neither the wall heat flux nor the adiabatic wall temperature is required to estimate the local film cooling performance parameters. The model predicts surface temperatures that are within the experimental uncertainties over the range for which the model is trained, and to within five percent when the model is extrapolated to higher coolant channel Reynolds numbers. This paper is relevant to conjugate test rigs that can measure the hot surface temperature distribution with and without film cooling. This information may also be relevant to designers as a method to approximate surface temperatures or used as an approximate heat transfer model for optimization studies.

advanced gas turbines↗