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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ultrafast Carrier–Lattice Interactions and Interlayer Modulations of Bi 2 Se 3 by X-ray Free-Electron Laser Diffraction

We report as a 3D topological insulator, bismuth selenide (Bi 2 Se 3 ) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. Understanding the coupling with its topological phase requires studying the interactions of carriers with the lattice on time scales down to the sub-picosecond regime. Here we investigate the ultrafast carrier-induced lattice contractions and interlayer modulations in Bi 2 Se 3 thin films by time-resolved diffraction using an X-ray free-electron laser. The lattice contraction depends on the carrier concentration and is followed by an interlayer expansion accompanied by oscillations. Using density functional theory (DFT) and the Lifshitz model, the initial contraction can be explained by van der Waals force modulation of the confined free carrier layers. Our theory suggests that band inversion, related to a topological phase transition, is modulated by the expansion of the interlayer distance. These results provide insights into the topological phase control by light-induced structural change on ultrafast timescales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Catalytic Resonance Theory: Experimental and Kinetic Interpretation of Programmable Catalysis

The complexity of programmable catalysts that change in the physical or electronic state on the time scale of a catalytic turnover results in uncertainty in the kinetic outcome of common measurements with dynamic catalyst experiments. To provide an interpretation of utility to experimentalists, a general programmable catalytic reaction exhibiting high turnover efficiency was simulated to understand the kinetic behavior of catalysts with varying frequency, binding energy, oscillation amplitude, and minimum oscillation binding energy at different temperatures and reactant gas pressures. The time-averaged catalytic rate for varying temperature in the form of an Arrhenius plot exhibited three distinct kinetic regimes, with the intermediate temperatures or applied frequencies exhibiting zero slope, indicative of barrier-free kinetic control. Transitions in experimentally measurable kinetic regimes with both temperature and applied catalyst oscillation frequency were associated with transitions in the sensitivity of reaction rate constants and degrees of rate control. Furthermore, these distinct kinetic macroscopic features specific to programmable catalysts were identified for observation in experimental dynamic kinetic measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction

Strong field ionization of neutral iodoacetylene (HCCI) can produce a coherent superposition of the X and A cations. This superposition results in charge migration between the CC π orbital and the iodine π-type lone pair which can be monitored by strong field ionization with short, intense probe pulses. Strong field ionization of the X and A states of HCCI cation was simulated with time-dependent configuration interaction using singly ionized configurations and singly excited, singly ionized configurations (TD-CISD-IP) and an absorbing boundary. Studies with static fields were used to obtain the 3-dimensional angular dependence of instantaneous ionization rates by strong fields and the orbitals involved in producing the cations and dications. The frequency of charge oscillation is determined by the energy separation of the X and A states; this separation can change depending on the direction and strength of the field. Furthermore, fields along the molecular axis can cause extensive mixing between the field-free X and A configurations. For coherent superpositions of the X and A states, the charge oscillations are characterized by two frequencies–the driving frequency of the laser field of the probe pulse and the intrinsic frequency due to the energy separation between the X and A states. For linear and circularly polarized pulses, the ionization rates show marked differences that depend on the polarization direction of the pulse, the carrier envelope phase and initial phase of the superposition. Varying the initial phase of the superposition at the beginning of the probe pulse is analogous to changing the delay between the pump and probe pulses. The charge oscillation in the coherent superposition of the X and A states results in maxima and minima in the ionization yield as a function of the superposition phase

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

Universal lower bound on the axion decay constant from free streaming effects

We show that enhancement of the axion relic abundance compared to the standard misalignment contribution generically leads to the production of nonzero momentum axion modes, resulting in warm dark matter behavior and enhanced isocurvature perturbations. It leads to universal constraints on the axion parameter space that are independent of detailed model assumptions and cosmological history. For models enhancing relic abundance with gradient axion modes, observations of the Lyman-$α$ forest impose a lower bound on the axion decay constant, $f_a \gtrsim 10^{15} {\rm GeV}\,(10^{-18}{\rm eV}/m_a)$, from the free-streaming effect. For models relying on the delay of coherent axion oscillations, we obtain a slightly weaker bound, $f_a \gtrsim 10^{14} {\rm GeV}\,(10^{-18}{\rm eV}/m_a)$. We make relatively conservative choices to establish these universal bounds but also provide scaling parameters that can be calibrated for stronger constraints in concrete models and updated as observations improve.

Harigaya, Keisuke [Chicago U., EFI; Tokyo U., IPMU↗
DOE OSTI2021

Ultra-broadband voltage-controlled oscillator linearization for frequency modulated continuous wave MMW imaging systems

Millimeter-wave (MMW) imaging systems require high resolution and spurious free dynamic range (SFDR) to produce images with low artifacts. In these systems, lateral resolution is determined by the center frequency and the ratio of the aperture size to the distance to the target. The downrange resolution is determined by the system bandwidth; for very fine downrange resolution of a target, or material layers/discontinuities, the bandwidth must be very broad. Additionally, the response over the bandwidth must be measured very rapidly to support high speed acquisition over large apertures. A voltage-controlled oscillator (VCO) is a standard means of generating the ultra-broadband frequency chirp. This paper investigates the use of a broadband VCO for use in MMW imaging systems, a linear-phase calibration technique, and digital-to-analog converter (DAC) parameter considerations for controlling the VCO.

FMCW, homodyne, VCO, DAC, difference frequency, SF↗
DOE OSTI2021

Efficient Entanglement of Spin Qubits Mediated by a Hot Mechanical Oscillator

Localized electronic and nuclear spin qubits in the solid state constitute a promising platform for storage and manipulation of quantum information, even at room temperature. However, the development of scalable systems requires the ability to entangle distant spins, which remains a challenge today. We propose and analyze an efficient, heralded scheme that employs a parity measurement in a decoherence free subspace to enable fast and robust entanglement generation between distant spin qubits mediated by a hot mechanical oscillator. We find that high-fidelity entanglement at cryogenic and even ambient temperatures is feasible with realistic parameters and show that the entangled pair can be subsequently leveraged for deterministic controlled-NOT operations between nuclear spins. Our results open the door for novel quantum processing architectures for a wide variety of solid-state spin qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Population inversion X-ray laser oscillator

Oscillators are at the heart of optical lasers, providing stable, transform-limited pulses. Until now, laser oscillators have been available only in the infrared to visible and near-ultraviolet (UV) spectral region. In this paper, we present a study of an oscillator operating in the 5- to 12-keV photon-energy range. We show that, using the Kα 1 line of transition metal compounds as the gain medium, an X-ray free-electron laser as a periodic pump, and a Bragg crystal optical cavity, it is possible to build X-ray oscillators producing intense, fully coherent, transform-limited pulses. As an example, we consider the case of a copper nitrate gain medium generating ~ 5 × 10 10 photons per pulse with 37-fs pulse length and 48-meV spectral resolution at 8-keV photon energy. Our theoretical study and simulation of this system show that, because of the very large gain per pass, the oscillator saturates and reaches full coherence in four to six optical-cavity transits. We discuss the feasibility and design of the X-ray optical cavity and other parts of the oscillator needed for its realization, opening the way to extend X-ray–based research beyond current capabilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Quantum oscillations with angular dependence in PdTe 2 single crystals

The layered transition-metal dichalcogenide PdTe 2 has been discovered to possess bulk Dirac points as well as topological surface states. By measuring the magnetization (up to 7 T) and magnetic torque (up to 35 T) in single crystalline PdTe2, we observe distinct de Haas–van Alphen (dHvA) oscillations. Eight frequencies are identified with H||c, with two low frequencies (F α = 8 T and F β = 117 T) dominating the spectrum. The effective masses obtained by fitting the Lifshitz–Kosevich (LK) equation to the data are $m_α^* =0.059m_0$ and $m_β^* =0.067m_0$ where $m_0$ is the free electron mass. The corresponding Landau fan diagrams allow the determination of the Berry phase for these oscillations resulting in values of ~0.67π for the 3D α band (hole-type) (down to the 1st Landau level) and ~0.23π–0.73π for the 3D β band (electron-type) (down to the 3rd Landau level). By investigating the angular dependence of the dHvA oscillations, we find that the frequencies and the corresponding Berry phase (Φ B ) vary with the field direction, with a Φ B ~ 0 when H is 10°–30° away from the ab plane for both α and β bands. Finally, the multiple band nature of PdTe 2 is further confirmed from Hall effect measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Shubnikov–de Haas oscillations of biaxial-strain-tuned superconductors in pulsed magnetic field up to 60 T

Two-dimensional (2D) materials have gained increasing prominence not only in fundamental research but also in daily applications. However, to fully harness their potential, it is crucial to optimize their properties with an external parameter and track the electronic structure simultaneously. Magnetotransport over a wide magnetic field range is a powerful method to probe the electronic structure and, for metallic 2D materials, quantum oscillations superimposed on the transport signals encode Fermi surface parameters. In this manuscript, we utilize biaxial strain as an external tuning parameter and investigate the effects of strain on the electronic properties of two quasi-2D superconductors, MoTe 2 and RbV 3 Sb 5 , by measuring their magnetoresistance in pulsed magnetic fields up to 60 T. With a careful selection of insulating substrates, we demonstrate the possibility of both the compressive and tensile biaxial strains imposed on MoTe 2 and RbV 3 Sb 5 , respectively. For both systems, the applied strain has led to superconducting critical temperature enhancement compared to their free-standing counterparts, proving the effectiveness of this biaxial strain method at cryogenic temperatures. Clear quantum oscillations in the magnetoresistance—the Shubnikov–de Haas (SdH) effect—are obtained in both samples. In strained MoTe 2 , the magnetoresistance exhibits a nearly quadratic dependence on the magnetic field and remains non-saturating even at the highest field, whereas in strained RbV 3 Sb 5 , two SdH frequencies showed a substantial enhancement in effective mass values, hinting at a possible enhancement of charge fluctuations. Our results demonstrate that combining biaxial strain and pulsed magnetic field paves the way for studying 2D materials under unprecedented conditions.

2D materials↗
DOE OSTI2024

Shubnikov-de Haas oscillations of biaxial-strain-tuned superconductors in pulsed magnetic field up to 60 T

Two-dimensional (2D) materials have gained increasing prominence not only in fundamental research but also in daily applications. However, to fully harness their potential, it is crucial to optimize their properties with an external parameter and track the electronic structure simultaneously. Magnetotransport over a wide magnetic field range is a powerful method to probe the electronic structure and, for metallic 2D materials, quantum oscillations superimposed on the transport signals encode Fermi surface parameters. In this manuscript, we utilize biaxial strain as an external tuning parameter and investigate the effects of strain on the electronic properties of two quasi-2D superconductors, MoTe 2 and RbV 3 Sb 5 , by measuring their magnetoresistance in pulsed magnetic fields up to 60 T. With a careful selection of insulating substrates, we demonstrate the possibility of both the compressive and tensile biaxial strains imposed on MoTe 2 and RbV 3 Sb 5 , respectively. For both systems, the applied strain has led to superconducting critical temperature enhancement compared to their free-standing counterparts, proving the effectiveness of this biaxial strain method at cryogenic temperatures. Clear quantum oscillations in the magnetoresistance—the Shubnikov–de Haas (SdH) effect—are obtained in both samples. In strained MoTe 2 , the magnetoresistance exhibits a nearly quadratic dependence on the magnetic field and remains non-saturating even at the highest field, whereas in strained RbV 3 Sb 5 , two SdH frequencies showed a substantial enhancement in effective mass values, hinting at a possible enhancement of charge fluctuations. Our results demonstrate that combining biaxial strain and pulsed magnetic field paves the way for studying 2D materials under unprecedented conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Hydrokinetic Power Conversion Using Vortex-Induced Oscillation with Cubic Restoring Force

A cubic-spring restoring function with high-deformation stiffening is introduced to passively improve the harnessed marine hydrokinetic power by using flow-induced oscillations/vibrations (FIO/V) of a cylinder. In these FIO/V experiments, a smooth, rigid, single-cylinder on elastic end-supports is tested at Reynolds numbers ranging from 24,000 < Re < 120,000. The parameters of the tested current energy converter (CEC) are cubic stiffness and linear damping. Using the second generation of digital virtual spring-damping (Vck) controller developed by the Marine Renewable Energy Laboratory (MRELab), the cubic modeling of the oscillator stiffness is tested. Experimental results show the influence of the parameter variation on the amplitude, frequency, energy conversion, energy efficiency, and power of the converter. All experiments are conducted in the low turbulence-free surface water (LTFSW) channel of the MRELab of the University of Michigan. The main conclusions are: (1) The nonlinearity in the cubic oscillator is an effective way to extend the vortex-induced vibration (VIV) upper branch, which results in higher harnessing power and efficiency compared to the linear stiffness cylinder converter. (2) Compared to the linear converter, the overall power increase is substantial. The nonlinear power optimum, occurring at the end of the VIV upper branch, is 63% higher than its linear counterpart. (3) The cubic stiffness converter with low harnessing damping achieves consistently good performance in all the VIV regions because of the hardening restoring force, especially at higher flow velocity.

13 HYDRO ENERGY↗
DOE OSTI2026

OC6 Phase Ia - Nonlinear hydrodynamic loading validation dataset

Two validation campaigns were examined within the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) Phase 1 project to examine the modeling tools' underprediction of loads and motion of a floating wind semisubmersible (semi) at their surge and pitch natural frequencies. These campaigns were performed at the Maritime Research Institute Netherlands (MARIN) in 2017 and 2018. The load cases (LC) considered include: LC1 – Load measurements across semi under current loading; LC2 - Load measurements across semi under forced surge oscillation; LC3 – Load measurements across semi under wave loading, while held fixed; LC4 – Free-decay motion measurements in surge, pitch, and heave; and LC5 – Motion measurements under wave loading. Details on the results from the OC6 Phase Ia project can be found in the reference, “OC6 Phase 1: Investigating the underprediction of low-frequency hydrodynamic loads and responses of floating wind turbines”, J Phys: Conf Series 1618 032033.

17 WIND ENERGY↗
DOE OSTI2022

Replica symmetry breaking for the integrable two-site Sachdev–Ye–Kitaev model

We analyze a two-body non-Hermitian two-site Sachdev–Ye–Kitaev (SYK) model with the couplings of one site complex conjugated to the other site. This model, with no explicit coupling between the sites, shows an infinite number of second-order phase transitions, which is a consequence of the factorization of the partition function into a product over Matsubara frequencies. We calculate the quenched free energy in two different ways: first in terms of the single-particle energies and second by solving the Schwinger–Dyson equations of the two-site model. The first calculation can be done entirely in terms of a one-site model. The conjugate replica enters due to non-analyticities when Matsubara frequencies enter the spectral support of the coupling matrix. The second calculation is based on the replica trick of the two-site partition function. Both methods give the same result. The free-fermion partition function can also be rephrased as a matrix model for the coupling matrix. Up to minor details, this model is the random matrix model that describes the chiral phase transition of QCD, and the order parameter of the two-body model corresponds to the chiral condensate of QCD. Comparing to the corresponding four-body model, we are able to determine which features of the free energy are due to the chaotic nature of the four-body model. The high-temperature phase of both models is entropy dominated, and in both cases, the free energy is determined by the spectral density. The chaotic four-body SYK model has a low-temperature phase whose free energy is almost temperature-independent, signaling an effective gap of the theory even though the actual spectrum does not exhibit a gap. On the other hand, the low-temperature free energy of the two-body SYK model is not flat; in fact, it oscillates to arbitrarily low temperature. This indicates a less desirable feature that the entropy of the two-body model is not always positive in the low-temperature phase, which most likely is a consequence of the non-hermiticity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Parametrically driven nonlinear Dirac equation with arbitrary nonlinearity

Here, the damped and parametrically driven nonlinear Dirac equation with arbitrary nonlinearity parameter $\kappa$ is analyzed, when the external force is periodic in space and given by $\mathcal{f(x) = r}$ cos(Kx), both numerically and in a variational approximation using five collective coordinates (time dependent shape parameters of the wave function). Our variational approximation satisfies exactly the low-order moment equations. Because of competition between the spatial period of the external force λ = 2π/K , and the soliton width $l_s$, which is a function of the nonlinearity $\kappa$ as well as the initial frequency ω 0 of the solitary wave, there is a transition (at fixed ω 0 ) from trapped to unbound behavior of the soliton, which depends on the parameters $\mathcal{r}$ and K of the external force and the nonlinearity parameter $\kappa$. We previously studied this phenomena when $\kappa$ = 1 where we showed that for λ $\gg l_s$ the soliton oscillates in an effective potential, while forλ $\ll l_s$ it moves uniformly as a free particle. In this paper we focus on the $\kappa$ dependence of the transition from oscillatory to particle behavior and explicitly compare the curves of the transition regime found in the collective coordinate approximation as a function of $\mathcal{r}$ and K when $\kappa$ = 1/2,1,2 at fixed value of the frequency ω 0 . Since the solitary wave gets narrower for fixed ω 0 as a function of $\kappa$, we expect and indeed find that the regime where the solitary wave is trapped is extended as we increase $\kappa$.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A Numerical Method for Determining the Elements of Circumbinary Orbits and Its Application to Circumbinary Planets and the Satellites of Pluto-Charon

Planets and satellites orbiting a binary system exist in the solar system and extrasolar planetary systems. Their orbits can be significantly different from Keplerian orbits, if they are close to the binary and the secondary-to-primary mass ratio is high. A proper description of a circumbinary orbit is in terms of the free eccentricity e {sub free} at the epicyclic frequency κ {sub 0}, forced eccentricity e {sub forced} at the mean motion n {sub 0}, and oscillations at higher frequencies forced by the non-axisymmetric components of the binary’s potential. We show that accurate numerical values for the amplitudes and frequencies of these terms can be extracted from numerical orbit integrations by applying fast Fourier transformation (FFT) to the cylindrical distance between the circumbinary object and the center of mass of the binary as a function of time. We apply this method to three Kepler circumbinary planets and the satellites of Pluto-Charon. For the satellite Styx of Pluto-Charon, the FFT results for κ {sub 0} and e {sub free} differ significantly from the first-order analytic value and the value reported by Showalter & Hamilton, respectively. We show that the deviation in κ {sub 0} is likely due to the effect of the 3:1 mean-motion resonance and discuss the implications of the lower value for e {sub free}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Shear-free, inhomogeneous turbulence in a stably stratified fluid

High-resolution large eddy simulations are conducted of locally forced, shear-free turbulence in the presence of an initially sharp density interface. The simulations are reminiscent of oscillating grid turbulence experiments used to isolate the effect of turbulent diffusion and entrainment from background shear. By simulating such a flow we avoid common challenges of the experiments such as secondary-flow contamination due to sidewall effects and the inevitable interaction of the stratifying agent and forcing region. To address the latter concern, we add a heating term (potential energy sink) to the governing equations in the forcing layer, thereby preventing a heat flux through the source region. This modification sets up a continuous stratification in the mixed layer that is often assumed to be negligible in experiments. Despite this difference, we are able to make meaningful comparisons in terms of the overall entrainment rate, which varies as a power law with a turbulent Richardson number. Two exponents, −2 and −1, are measured depending on the definition of the Richardson number and entrainment rate used. The definition leading to −1 is consistent with most experiments, and we argue it is the superior choice if one is able to measure the relevant quantities. We also verify the self-similar scaling of turbulence velocity and length scales in the homogeneous fluid and propose ‘inner’ and ‘outer’ scalings for the stratified cases based on a local Froude number. The detailed scaling results are useful for turbulence model validation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Damping of the Franz–Keldysh oscillations in the presence of disorder

Franz–Keldysh oscillations of the optical absorption in the presence of short-range disorder are studied theoretically. The magnitude of the effect depends on the relation between the mean-free path in a zero field and the distance between the turning points in electric field. As is adopted in the literature, turning points are the points where the net energy is equal to potential energy. Damping of the Franz–Keldysh oscillations by the disorder develops at high absorption frequency. Effect of damping is amplified by the fact that, that electron and hole are most sensitive to the disorder near the turning points. This is because, near the turning points, velocities of electron and hole turn to zero.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗