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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Quantum systems with position-dependent mass and spin-orbit interaction via Rashba and Dresselhaus terms

We consider a particle with spin 1/2 with position-dependent mass moving in a plane. Considering separately Rashba and Dresselhaus spin-orbit interactions, we write down the Hamiltonian for this problem and solve it for Dirichlet boundary conditions. Our radial wavefunctions have two contributions: homogeneous ones which are written as Bessel functions of non-integer orders—that depend on angular momentum m—and particular solutions which are obtained after decoupling the non-homogeneous system. In this process, we find non-homogeneous Bessel equation, Laguerre, as well as biconfluent Heun equation. We also present the probability densities for m = 0, 1, 2 in an annular quantum well. Our results indicate that the background as well as the spin-orbit interaction naturally splits the spinor components.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ion dynamics in an E × B Hall plasma accelerator

We show the time evolution of the ion velocity distribution function in a Hall plasma accelerator during a 20 kHz natural, quasi-periodic plasma oscillation. We apply a time-synchronized laser induced fluorescence technique at different locations along the channel midline, obtaining time- and spatially resolved ion velocity measurements. Strong velocity and density fluctuations and multiple ion populations are observed throughout the so-called “breathing mode” ionization instability, opening an experimental window into the detailed ion dynamics and physical processes at the heart of such devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

First principles study of metal contacts to monolayer black phosphorous

Atomically thin layered black phosphorous (BP) has recently appeared as an alternative to the transitional metal dichalcogenides for future channel material in a metal-oxide-semiconductor transistor due to its lower carrier effective mass. Investigation of the electronic property of source/drain contact involving metal and two-dimensional material is essential as it impacts the transistor performance. In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the side-contact formed by the monolayer BP (mBP) and metals (gold, titanium, and palladium), which are commonly used in experiments. Employing the Density Functional Theory, we analyse the potential barrier, charge transfer and atomic orbital overlap at the metal-mBP interface in an optimized structure to understand how efficiently carriers could be injected from metal contact to the mBP channel. Our analysis shows that gold forms a Schottky contact with a higher tunnel barrier at the interface in comparison to the titanium and palladium. mBP contact with palladium is found to be purely Ohmic, where as titanium contact demonstrates an intermediate behaviour.

36 MATERIALS SCIENCE↗
NASA NTRS1973

A new approach to the design of time-varying control systems with application to the Space Shuttle Boost

A general approach to the analysis and design of closed-loop control for slowly time-varying linear systems is presented. The approach uses the method of generalized multiple scales in which slow and fast dynamics are systematically separated by employing different 'clocks' which measure time at varying rates. The clocks, which are necessarily nonlinear functions of time, are chosen in such a manner that the system dynamics are asymptotically invariant with respect to the new time scale. A transfer function relating the output to the input for general linear slowly time-varying systems is developed and represents the actual system under certain conditions. The clock function is shown to satisfy an algebraic characteristic equation and can be determined in terms of the coefficients. The approach can be viewed as an extension of time-invariant linear feedback control theory.

Ramanth, R. V.↗
DOE OSTI2014

Flexoelectricity in an oxadiazole bent-core nematic liquid crystal

We have determined experimentally the magnitude of the difference in the splay and bend flexoelectric coefficients, |e{sub 1} − e{sub 3}|, of an oxadiazole bent-core liquid crystal by measuring the critical voltage for the formation of flexodomains together with their wave number. The coefficient |e{sub 1} − e{sub 3}| is found to be a factor of 2–3 times higher than in most conventional calamitic nematic liquid crystals, varying from 8 pCm{sup −1} to 20 pCm{sup −1} across the ∼60 K—wide nematic regime. We have also calculated the individual flexoelectric coefficients e{sub 1} and e{sub 3}, with the dipolar and quadrupolar contributions of the bent-core liquid crystal by combining density functional theory calculations with a molecular field approach and atomistic modelling. Interestingly, the magnitude of the bend flexoelectric coefficient is found to be rather small, in contrast to common expectations for bent-core molecules. The calculations are in excellent agreement with the experimental values, offering an insight into how molecular parameters contribute to the flexoelectric coefficients and illustrating a huge potential for the prediction of flexoelectric behaviour in bent-core liquid crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The role of surfaces in flexoelectricity

We develop the relationship between the strain derivative of the mean-inner potential and surface contributions to flexoelectricity, identifying the true surface-specific component of the flexoelectric response of finite samples. Density functional theory calculations on a range of experimentally observed, low energy SrTiO 3 , MgO, and Si surfaces demonstrate that the mean-inner potential and its contributions to flexoelectricity are sensitive to small differences in surface structure, chemistry, and adsorbates. We also introduce a method to estimate mean-inner potential contributions to flexoelectricity using electron scattering factors and use this approximation to predict total flexoelectric responses for a variety of insulators. Strategies to experimentally disentangle bulk and surface flexoelectric terms are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the first kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study

The impact of the scaling of the channel length on the performances of metal-oxide-semiconductor field effect transistors, based on two-dimensional (2D) channel materials, is theoretically investigated, using density functional theory combined with the non-equilibrium Green's function method. It is found that the scaling of the channel length below 10 nm leads to strong device performance degradations. Our simulations reveal that this degradation is essentially due to the tunneling current flowing between the source and the drain in these aggressively scaled devices. It is shown that this electron tunneling process is modulated by the effective mass of the 2D channel material, and sets the limit of the scaling in future transistor designs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

Spatial autocorrelation of radiation measured by the Earth Radiation Budget Experiment: Scene inhomogeneity and reciprocity violation

The spatial autocorrelation functions of broad-band longwave and shortwave radiances measured by the Earth Radiation Budget Experiment (ERBE) are analyzed as a function of view angle in an investigation of the general effects of scene inhomogeneity on radiation. For nadir views, the correlation distance of the autocorrelation function is about 900 km for longwave radiance and about 500 km for shortwave radiance, consistent with higher degrees of freedom in shortwave reflection. Both functions rise monotonically with view angle, but there is a substantial difference in the relative angular dependence of the shortwave and longwave functions, especially for view angles less than 50 deg. In this range, the increase with angle of the longwave functions is found to depend only on the expansion of pixel area with angle, whereas the shortwave functions show an additional dependence on angle that is attributed to the occlusion of inhomogeneities by cloud height variations. Beyond a view angle of about 50 deg, both longwave and shortwave functions appear to be affected by cloud sides. The shortwave autocorrelation functions do not satisfy the principle of directional reciprocity, thereby proving that the average scene is horizontally inhomogeneous over the scale of an ERBE pixel (1500 sq km). Coarse stratification of the measurements by cloud amount, however, indicates that the average cloud-free scene does satisfy directional reciprocity on this scale.

Davies, Roger↗
DOE OSTI2018

Morse oscillator propagator in the high temperature limit II: Quantum dynamics and spectroscopy

This paper is a continuation of Paper I (Toutounji, 2017) of which motivation was testing the applicability of Morse oscillator propagator whose analytical form was derived by Duru (1983). This is because the Morse oscillator propagator was reported (Duru, 1983) in a triple-integral form of a functional of modified Bessel function of the first kind, which considerably limits its applicability. For this reason, I was prompted to find a regime under which Morse oscillator propagator may be simplified and hence be expressed in a closed-form. This was well accomplished in Paper I. Because Morse oscillator is of central importance and widely used in modelling vibrations, its propagator applicability will be extended to applications in quantum dynamics and spectroscopy as will be reported in this paper using the off-diagonal propagator of Morse oscillator whose analytical form is derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Hybrid magnon-phonon localization enhances function near ferroic glassy states

Ferroic materials on the verge of forming ferroic glasses exhibit heightened functionality that is often attributed to competing long- and short-range correlations. However, the physics underlying these enhancements is not well understood. The Ni 45 Co 5 Mn 36.6 In 13.4 Heusler alloy is on the edge of forming both spin and strain glasses and exhibits magnetic field–induced shape memory and large magnetocaloric effects, making it a candidate for multicaloric cooling applications. We show using neutron scattering that localized magnon-phonon hybrid modes, which are inherently spread across reciprocal space, act as a bridge between phonons and magnons and result in substantial magnetic field–induced shifts in the phonons, triple the caloric response, and alter phase stability. We attribute these modes to the localization of phonons and magnons by antiphase boundaries coupled to magnetic domains. Because the interplay between short- and long-range correlations is common near ferroic glassy states, our work provides general insights on how glassiness enhances function.

36 MATERIALS SCIENCE↗
NASA NTRS1959

Heat Transfer in a Liquid Metal Flowing Turbulently through a Channel with a Step Function Boundary Temperature

An analytical heat transfer solution is derived and evaluated for the general case of a turbulently flowing liquid metal which suddenly encounters a step-function boundary temperature in a channel system. Local Nusselt moduli, dimensionless mixed-mean fluid temperatures, and arithmetic-mean Nusselt moduli are given as functions of Reynolds and Prandtl moduli and a dimensionless axial-distance modulus. These solutions are compared with known solutions of more specific systems as well as with a set of experimental liquid-metal heat transfer data for a thermal entrance region.

Poppendiek, H. F.↗
DOE OSTI2014

Independent trapping and manipulation of microparticles using dexterous acoustic tweezers

An electronically controlled acoustic tweezer was used to demonstrate two acoustic manipulation phenomena: superposition of Bessel functions to allow independent manipulation of multiple particles and the use of higher-order Bessel functions to trap particles in larger regions than is possible with first-order traps. The acoustic tweezers consist of a circular 64-element ultrasonic array operating at 2.35 MHz which generates ultrasonic pressure fields in a millimeter-scale fluid-filled chamber. The manipulation capabilities were demonstrated experimentally with 45 and 90-μm-diameter polystyrene spheres. These capabilities bring the dexterity of acoustic tweezers substantially closer to that of optical tweezers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Imaging microscopic electronic contrasts at the interface of single-layer WS 2 with oxide and boron nitride substrates

The electronic properties of devices based on two-dimensional materials are significantly influenced by interactions with the substrate and electrode materials. In this work, we use photoemission electron microscopy to investigate the real- and momentum-space electronic structures of electrically contacted single-layer WS 2 stacked on hBN, SiO 2 , and TiO 2 substrates. Furthermore, using work function and X-ray absorption imaging, we single-out clean microscopic regions of each interface type and collect the valence band dispersion. We infer the alignments of the electronic bandgaps and electron affinities from the measured valence band offsets of WS2 and the three substrate materials using a simple electron affinity rule and discuss the implications for vertical band structure engineering using mixed three- and two-dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Correlation functions on the Half-BPS Wilson loop: perturbation and hexagonalization

We compute correlation functions of protected primaries on the 1/2-BPS Wilson loop in N=4 super Yang-Mills theory at weak coupling. We first perform direct perturbative computation at one loop in the planar limit and present explicit formulae for general two-, three- and four-point functions. The results for two- and three-point functions as well as four-point functions in special kinematics are in perfect agreement with the localization computation performed in arXiv:1802.05201 . We then analyze the results in view of the integrability-based approach called “hexagonalization”, which was introduced previously to study the correlation functions in the absence of the Wilson loop. In this approach, one decomposes the correlator into fundamental building blocks called “hexagons”, and glues them back together by summing over the intermediate states. Through the comparison, we conjecture that the correlation functions on the Wilson loop can be computed by contracting hexagons with boundary states, where each boundary state represents a segment of the Wilson loop. As a byproduct, we make predictions for the large-charge asymptotics of the structure constants on the Wilson loop. Along the way, we refine the conjecture for the integrability-based approach to the general non-BPS structure constants on the Wilson loop, proposed originally in arXiv:1706.02989 .

1/N Expansion↗
DOE OSTI2014

Two dimensional symmetric correlation functions of the S-circumflex operator and two dimensional Fourier transforms: Considering the line coupling for P and R lines of linear molecules

The refinement of the Robert-Bonamy (RB) formalism by considering the line coupling for isotropic Raman Q lines of linear molecules developed in our previous study [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] has been extended to infrared P and R lines. In these calculations, the main task is to derive diagonal and off-diagonal matrix elements of the Liouville operator iS{sub 1} − S{sub 2} introduced in the formalism. When one considers the line coupling for isotropic Raman Q lines where their initial and final rotational quantum numbers are identical, the derivations of off-diagonal elements do not require extra correlation functions of the S-circumflex operator and their Fourier transforms except for those used in deriving diagonal elements. In contrast, the derivations for infrared P and R lines become more difficult because they require a lot of new correlation functions and their Fourier transforms. By introducing two dimensional correlation functions labeled by two tensor ranks and making variable changes to become even functions, the derivations only require the latters’ two dimensional Fourier transforms evaluated at two modulation frequencies characterizing the averaged energy gap and the frequency detuning between the two coupled transitions. With the coordinate representation, it is easy to accurately derive these two dimensional correlation functions. Meanwhile, by using the sampling theory one is able to effectively evaluate their two dimensional Fourier transforms. Thus, the obstacles in considering the line coupling for P and R lines have been overcome. Numerical calculations have been carried out for the half-widths of both the isotropic Raman Q lines and the infrared P and R lines of C{sub 2}H{sub 2} broadened by N{sub 2}. In comparison with values derived from the RB formalism, new calculated values are significantly reduced and become closer to measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Observation of a highly conductive warm dense state of water with ultrafast pump–probe free-electron-laser measurements

The electrical conductivity of water under extreme temperatures and densities plays a central role in modeling planetary magnetic fields. Experimental data are vital to test theories of high-energy-density water and assess the possible development and presence of extraterrestrial life. These states are also important in biology and chemistry studies when specimens in water are confined and excited using ultrafast optical or free-electron lasers (FELs). Here we utilize femtosecond optical lasers to measure the transient reflection and transmission of ultrathin water sheet samples uniformly heated by a 13.6 nm FEL approaching a highly conducting state at electron temperatures exceeding 20 000 K. The experiment probes the trajectory of water through the high-energy-density phase space and provides insights into changes in the index of refraction, charge carrier densities, and AC electrical conductivity at optical frequencies. At excitation energy densities exceeding 10 MJ/kg, the index of refraction falls to n = 0.7, and the thermally excited free-carrier density reaches ne = 5 × 1027 m−3, which is over an order of magnitude higher than that of the electron carriers produced by direct photoionization. Significant specular reflection is observed owing to critical electron density shielding of electromagnetic waves. The measured optical conductivity reaches 2 × 104 S/m, a value that is one to two orders of magnitude lower than those of simple metals in a liquid state. At electron temperatures below 15 000 K, the experimental results agree well with the theoretical calculations using density-functional theory/molecular-dynamics simulations. With increasing temperature, the electron density increases and the system approaches a Fermi distribution. In this regime, the conductivities agree better with predictions from the Ziman theory of liquid metals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Emission of a Neutrino Pair During Transitions of an Electron in the Field of the Nucleus of a Hydrogen-Like Atom in One Spatial Dimension

The Dirac equation for a particle – an electron with negative charge equal in magnitude to the elementary charge e{sub 1} in spacetime with one spatial dimension denoted as the z axis and in the field of a point-like charge (Ze{sub 1}) – the nucleus – with the one-dimensional potential φ{sub 1} = – (Ze{sub 1}) |z| (a one-dimensional hydrogen-like atom) is solved. The two-component wave function and the quantum values of the energy are expressed in terms of the Airy function and its zeros. Using the contact Lagrangian of the weak interaction with Fermi constant G{sub 1} = g{sub 1}ħc in such a space, where g{sub 1} is some number, the probability of emission per unit time of a neutrino pair (Ze{sub 1}){sup *}→(Ze{sub 1}) + νν{sup –} by the one-dimensional hydrogen-like atom, which turns out to be proportional to the square of the mass, is found. Prospects for the realization of the considered effect and its possible significance at various stages of the evolution of the Universe are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗