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Results for “adiabatic approximation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

MHD modeling of magnetotail instability for anisotropic pressure

Results of three-dimensional MHD simulations of magnetotail dynamics with anisotropic pressure are presented. The pressure tensor is assumed to be gyrotropic, satisfying a modified double adiabatic approximation including Ohmic heating. It is found that these constraints tend to stabilize the tail with respect to the resistive tearing instability. Including an increasing level of additional isotropization results in a gradual transition to the fast instability found in an isotropic model, which is discussed for comparison. Possible isotropization mechanisms yielding magnetotail instability are discussed also. The stabilizing anisotropies are found primarily in the plasma sheet boundary region. This fact indicates a possibly important role of isotropization mechanisms operating in this region in destabilizing the magnetotail and initiating a tearing instability without the necessity of changes in fluctuation levels in the neutral sheet.

Hesse, Michael↗
NASA NTRS1993

Photoionization of the hydrogen atom in strong magnetic fields

The photoionization of the hydrogen atom in magnetic fields B about 10 exp 11 - 10 exp 13 G typical of the surface layers of neutron stars is investigated analytically and numerically. We consider the photoionization from various tightly bound and hydrogen-like states of the atom for photons with arbitrary polarizations and wave-vector directions. It is shown that the length form of the interaction matrix elements is more appropriate in the adiabatic approximation than the velocity form, at least in the most important frequency range omega much less than omega(B), where omega(B) is the electron cyclotron frequency. Use of the length form yields nonzero cross sections for photon polarizations perpendicular to the magnetic field at omega less than omega(B); these cross sections are the ones that most strongly affect the properties of the radiation escaping from an optically thick medium, e.g., from the atmosphere of a neutron star. The results of the numerical calculations are fitted by simple analytical formulas.

Potekhin, Aleksandr IU.↗
NASA NTRS1994

Evolution of dynamo-generated magnetic fields in accretion disks around compact and young stars

Geometrically thin, optically thick, turbulent accretion disks are believed to surround many stars. Some of them are the compact components of close binaries, while the others are throught to be T Tauri stars. These accretion disks must be magnetized objects because the accreted matter, whether it comes from the companion star (binaries) or from a collapsing molecular cloud core (single young stars), carries an embedded magnetic field. In addition, most accretion disks are hot and turbulent, thus meeting the condition for the MHD turbulent dynamo to maintain and amplify any seed field magnetic field. In fact, for a disk's magnetic field to persist long enough in comparison with the disk viscous time it must be contemporaneously regenerated because the characteristic diffusion time of a magnetic field is typically much shorter than a disk's viscous time. This is true for most thin accretion disks. Consequently, studying magentic fields in thin disks is usually synonymous with studying magnetic dynamos, a fact that is not commonly recognized in the literature. Progress in studying the structure of many accretion disks was achieved mainly because most disks can be regarded as two-dimensional flows in which vertical and radial structures are largely decoupled. By analogy, in a thin disk, one may expect that vertical and radial structures of the magnetic field are decoupled because the magnetic field diffuses more rapidly to the vertical boundary of the disk than along the radius. Thus, an asymptotic method, called an adiabatic approximation, can be applied to accretion disk dynamo. We can represent the solution to the dynamo equation in the form B = Q(r)b(r,z), where Q(r) describes the field distribution along the radius, while the field distribution across the disk is included in the vector function b, which parametrically depends on r and is normalized by the condition max (b(z)) = 1. The field distribution across the disk is established rapidly, while the radial distribution Q(r) evolves on a considerably longer timescale. It is this evolution that is the subject of this paper.

Stepinski, Tomasz F.↗
NASA NTRS1996

Demonstration of Berry Phase in Optical Spectroscopy

In this paper we demonstrate that the observed phase shift of the RF signal and its intensity dependence under extreme low pump and probe laser field conditions are dominated by Berry phase effect in optical spectroscopy with good adiabatic approximation, which provides all features' agreements between the theoretical and the experimental results.

Xia, Hui-Rong↗
NASA NTRS1996

Non-Isothermal Experimental Study of the Constrained Vapor Bubble Thermosyphon

Experimental and theoretical techniques to study non-isothermal transport processes in the constrained vapor bubble thermosyphon (CVBT) were developed using a pentane/quartz system. The transport processes can be evaluated by measuring the liquid film profile, which gives the pressure field, and the temperature field. The axial variation in the capillary pressure was measured using an image-analyzing interferometer that is based on computer-enhanced video microscopy of the naturally occurring interference fringes. Thermoelectric coolers were used to control the temperature level in the condensation region and, therefore, the length of the approximately 'adiabatic' surface region which is a function of the temperature difference between the CVBT surface and the surroundings. High values for the axial thermal conductance in the 'adiabatic' surface region were demonstrated under certain conditions.

Karthikeyan, Muthu↗
NASA NTRS1993

Kinematic Dynamo In Turbulent Circumstellar Disks

Many circumstellar disks associated with objects ranging from protoplanetary nebulae, to accretion disks around compact stars allow for the generation of magnetic fields by an (alpha)omega dynamo. We have applied kinematic dynamo formalism to geometrically thin accretion disks. We calculate, in the framework of an adiabatic approximation, the normal mode solutions for dynamos operating in disks around compact stars. We then describe the criteria for a viable dynamo in protoplanetary nebulae, and discuss the particular features that make accretion disk dynamos different from planetary, stellar, and galactic dynamos.

Stepinski, T.↗
NASA NTRS2024

Adiabatic Gravitational Waveform Model for Compact Objects Undergoing Quasi-Circular Inspirals Into Rotating Massive Black Holes

We present bhpwave: a new python-based, open-source tool for generating the gravitational waveforms of stellar-mass compact objects undergoing quasicircular inspirals into rotating massive black holes. These binaries, known as extreme-mass-ratio inspirals (EMRIs), are exciting mHz gravitational wave sources for future space-based detectors such as the Laser Interferometer Space Antenna (LISA). Relativistic models of EMRI gravitational wave signals are necessary to unlock the full scientific potential of mHz detectors, yet few open-source EMRI waveform models exist. Thus we built bhpwave, which uses the adiabatic approximation from black hole perturbation theory to rapidly construct gravitational waveforms based on the leading-order inspiral dynamics of the binary. In this work, we present the theoretical and numerical foundations underpinning bhpwave. We also demonstrate how bhpwave can be used to assess the impact of EMRI modeling errors on LISA gravitational wave data analysis. In particular, we find that for retrograde orbits and slowly spinning black holes we can mismodel the gravitational wave phasing by as much as ∼10 radians without significantly biasing EMRI parameter estimation.

Zachary Nasipak↗
NASA NTRS2010

Optical Tapers as White-Light WGM Resonators

A theoretical analysis has revealed that tapered optical waveguides could be useful as white-light whispering-gallery-mode (WGM) optical resonators. The compactness and the fixed-narrow-frequency-band nature of the resonances of prior microdisk and microsphere WGM resonators are advantageous in low-power, fixed-narrow-frequency-band applications. However for optical-processing applications in which there are requirements for power levels higher and/or spectral responses broader than those of prior microdisk and microsphere WGM resonators, white-light WGM resonators in the form of optical tapers would be preferable. The theoretical analysis was performed for a multimode, axisymmetric, circular-cross-section waveguide having a taper sufficiently smooth and gradual to justify the approximation of adiabaticity. In this approximation, the equation for the dependence of the electromagnetic field upon the axial (longitudinal) waveguide coordinate can be separated from the equation for the dependence upon the radius and the azimuthal angle.

Strekalov, Dmitry V.↗
NASA NTRS1979

Relativistic blast waves in two dimensions. I - The adiabatic case

Approximate solutions are presented for the dynamical evolution of strong adiabatic relativistic blast waves which result from a point explosion in an ambient gas in which the density varies both with distance from the explosion center and with polar angle in axisymmetry. Solutions are analytical or quasi-analytical for the extreme relativistic case and numerical for the arbitrarily relativistic case. Some general properties of nonplanar relativistic shocks are also discussed, including the incoherence of spherical ultrarelativistic blast-wave fronts on angular scales greater than the reciprocal of the shock Lorentz factor, as well as the conditions for producing blast-wave acceleration.

Shapiro, P. R.↗
DOE OSTI2025

Biased degenerate ground-state sampling of small Ising models with converged quantum approximate optimization algorithm

The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Vibrationally resolved cross sections for proton collisions with hydrogen molecules

The semi-classical molecular convergent close-coupling approach has been applied to proton collisions with molecular hydrogen in the ground electronic and vibrational state. Cross sections for electron loss and electron capture agree well with the experimental data in the intermediate energy range where coupling between electronic reaction channels is strong and previously available calculations produce inconsistent results. Results for elastic scattering and total excitation are compared with effective one-electron coupled-channel calculations, showing that accurate target structure makes an important difference to these cross sections at intermediate energies. The excitation cross sections are calculated using both the fixed-nuclei and adiabatic-nuclei approximations for transitions from the $X^1Σ^+_{\textrm{g}}$ state to the $B^1Σ^+_{\textrm{u}}$, $B'$$^1Σ^+_{\textrm{u}}$, $B''$$^1Σ^+_{\textrm{u}}$, $EF$$^1Σ^+_{\textrm{g}}$, $GK$$^1Σ^+_{\textrm{g}}$, $H$$^1Σ^+_{\textrm{g}}$, $C$$^1Π_{\textrm{u}}$, $D$$^1Π_{\textrm{u}}$, $D'$$^1Π_{\textrm{u}}$, $I$$^1Π_{\textrm{u}}$, and $J$$^1Δ_{\textrm{g}}$ states for proton energies from to keV. We find significant differences between the present ab initio calculations and the equivelocity scaled electron-scattering data that is currently used for collisional-radiative modelling. Furthermore, the adiabatic-nuclei calculations enable us to resolve the final vibrational level after excitation, producing a complete set of cross sections for excitation of ground-state molecular hydrogen for all electronic states up to $n = 3$, where $n$ is the united-atoms-limit principle quantum number.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1984

Scattering of electrons from neon atoms

Scattering of electrons from neon atoms is investigated by the polarized-orbital method. The perturbed orbitals calculated with use of the Sternheimer approximation lead to the polarizability 2.803 a(0)-cube in fairly good agreement with the experimental value 2.66 a(0)-cube. Phase shifts for various partial waves are calculated in the exchange, exchange-adiabatic, and polarized-orbital approximations. They are compared with the previous results. The calculated elastic differential, total, and momentum-transfer cross sections are compared with the experimental results. The polarized-orbital approximation yields results which show general improvement over the exchange-adiabatic approximation.

Dasgupta, A.↗
DOE OSTI2025

Signature of 0 + excited state and shape coexistence in 94 Kr through 93 Kr(d,p) 94 Kr reaction

A measurement of the excitation spectrum of 94 Kr via one-neutron transfer to the ground state of 93 Kr using the 93 Kr(d,p) 94 Kr reaction at 8A MeV, observing the outgoing protons, performed with the IRIS facility at TRIUMF is reported. Two states in 94 Kr, at 1.50±0.14 MeV and 2.20±0.14 MeV, were observed. An adiabatic-wave approximation analysis of the differential cross sections leads us to identify the lower energy state as being populated with neutron transfer to the 3 s1/2 orbital. This leads to the first observation of the lowest 0 + excited state in 94 Kr, hence signaling shape co-existence. Theoretical calculations performed within the in-medium similarity renormalization group framework are presented that also show the existence of a low-energy 0 + state, aligning qualitatively with the observation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe 2 S 2 (SCH 3 ) 4 ] 2–,3–,4– , [Fe 2 S 2 (SCys) 4 ] 2– , [Fe 2 S 2 (S- p -tol) 4 ] 2– , and [Fe 2 S 2 (S- o -xyl) 4 ] 2– Complexes

Iron–sulfur clusters are crucial for biological electron transport and catalysis. Obtaining accurate geometries, energetics, manifolds of their excited electronic states, and reduction energies is important to understand their role in these processes. Here, using a [2Fe–2S] model complex with Fe II and Fe III oxidation states, which leads to different charges, i.e., [Fe 2 S 2 (SMe) 4 ] 2–,3–,4– , we benchmarked a variety of computational methodologies ranging from density functional theory (DFT) to post-Hartree–Fock methods, including complete active space self-consistent field (CASSCF), multireference configuration interaction, the second-order N-electron valence state perturbation theory (NEVPT2), and the linearized integrand approximation of adiabatic connection (AC0) approaches. Additionally, we studied three experimentally well-characterized complexes, [Fe 2 S 2 (SCys) 4 ] 2– , [Fe 2 S 2 (S-o-tol) 4 ] 2– , and [Fe 2 S 2 (S-o-xyl) 4 ] 2– , via DFT methods. We conclude that the dynamic electron correlation is important for accurately predicting the geometry of these complexes. Broken symmetry (BS) DFT correctly predicts experimental geometries of low-spin multiplicity, while CASSCF does not. However, BS-DFT significantly overestimates the difference between the low- and high-spin electronic states for a given oxidation state. At the same time, CASSCF underestimates it but provides relative energies closer to the reference NEVPT2 results. Finally, AC0 provides energetics of NEVPT2 quality with the additional advantage of being able to use large CASSCF sizes. NEVPT2 gives the best estimates of the Fe III /Fe III → Fe II /Fe III (4.27 eV) and Fe II /F III → Fe II /F II (7.72 eV) reduction energies. The results provide insight into the electronic structure of these complexes and assist in the understanding of their physical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

All-electron molecular tunnel ionization based on the weak-field asymptotic theory in the integral representation

Tunnel ionization (TI) underlies many important ultrafast processes, such as high-harmonic generation andstrong-field ionization. Among the existing theories for TI, many-electron weak-field asymptotic theory (ME-WFAT) is by design capable of accurately treating many-electron effects in TI. An earlier version of ME-WFATrelied on an accurate representation of the asymptotic tail of the orbitals, which hindered its implementation inGaussian-basis-set-based quantum chemistry programs. In this work, we reformulate ME-WFAT in the integralrepresentation, which makes the quality of the asymptotic tail much less critical, hence greatly facilitating itsimplementation in standard quantum chemistry packages. The integral reformulation introduced here is thereforemuch more robust when applied to molecules with arbitrary geometry. Here, we present several case studies, amongwhich is the CO molecule where some earlier theories disagree with experiments. Here we find that ME-WFATproduces the largest ionization probability when the field points from C to O, as experiments suggest. Anattractive feature of ME-WFAT is that it can be used with various types of multielectron methods whether ofdensity functional or multiconfiguration types, this inturn facilitates tunnel ionization calculation in systems exhibiting a strong multireference character.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Asymptotic errors in adiabatic evolution

The adiabatic theorem in quantum mechanics implies that if a system is in a discrete eigenstate of a Hamiltonian and the Hamiltonian evolves in time arbitrarily slowly, the system will remain in the corresponding eigenstate of the evolved Hamiltonian. Understanding corrections to the adiabatic result that arise when the evolution of the Hamiltonian is slow—but not arbitrarily slow—has become increasingly important, especially since adiabatic evolution has been proposed as a method of state preparation in quantum computing. Here, this paper identifies two regimes, an adiabatic regime in which corrections are generically small and can depend on details of the evolution throughout the path, and a hyperadiabatic regime in which the error is given by a form similar to an asymptotic expansion in the inverse of the evolution time with the coefficients depending principally on the behavior at the endpoints. However, the error in this hyperadiabatic regime is neither given by a true asymptotic series nor solely dependent on the endpoints: the coefficients combine the contributions from both endpoints, with relative phase factors that depend on the average spectral gaps along the trajectory, multiplied by the evolution time. The central result of this paper is to identify a quantity, referred to as the typical error, which is obtained by appropriately averaging the error over evolution times that are small compared to the evolution time itself. This typical error is characterized by an asymptotic series and depends solely on the endpoints of the evolution, remaining independent of the details of the intermediate evolution.

adiabatic approximation↗