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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Structural characterization of particle systems using spherical harmonics

Many important properties of particulate materials are heavily influenced by the size and shape of the constituent particles. Thus, in order to control and improve product quality, it is important to develop a good understanding of the shape and size of the particles that make up a given particulate material. In this paper, we show how the spherical harmonics expansion can be used to approximate particles obtained from tomographic 3D images. This yields an analytic representation of the particles which can be used to calculate structural characteristics. We present an estimation method for the optimal length of expansion depending on individual particle shapes, based on statistical hypothesis testing. A suitable choice of this parameter leads to a smooth approximation that preserves the main shape features of the original particle. To show the wide applicability of this procedure, we use it to approximate particles obtained from two different tomographic 3D datasets of particulate materials. The first one describes an anode material from lithium-ion cells that consists of sphere-like particles with different sizes. The second dataset describes a powder of highly non-spherical titanium dioxide particles. - Highlights: • Complex particle shapes are described analytically by spherical harmonics expansion. • The optimal length of the expansion is estimated for each particle individually. • Characteristics like, e.g., particle surface areas can be calculated efficiently. • The method is applied to two tomographic datasets of particulate materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chirality-Dependent Second Harmonic Generation of MoS 2 Nanoscroll with Enhanced Efficiency

Materials with high second harmonic generation (SHG) efficiency and reduced dimensions are favorable for integrated photonics and nonlinear optical applications. Here, we fabricate MoS 2 nanoscrolls with different chiralities and study their SHG performances. As a 1D material, MoS 2 nanoscroll shows reduced symmetry and strong chirality dependency in the polarization-resolved SHG characterizations. This SHG performance can be well explained by the superposition theory of second harmonic field of the nanoscroll walls. MoS 2 nanoscrolls with certain chiralities and diameters in our experiment can have SHG intensity up to 95 times stronger than that of monolayer MoS 2 , and the full potential can still be further exploited. The same chirality-dependent SHG can be expected for nanoscrolls or nanotubes composed of other noncentrosymmetric 2D materials, such as WS 2 , WSe 2 , and hBN. Here, the characterization and analysis results presented here can also be exploited as a nondestructive technique to determine the chiralities of these nanoscrolls and nanotubes.

42 ENGINEERING↗
DOE OSTI2018

Enhanced Second-Harmonic Generation Using Broken Symmetry III–V Semiconductor Fano Metasurfaces

All-dielectric metasurfaces, two-dimensional arrays of subwavelength low loss dielectric inclusions, can be used not only to control the amplitude and phase of optical beams, but also to generate new wavelengths through enhanced nonlinear optical processes that are free from some of the constraints dictated by the use of bulk materials. Recently, high quality factor (Q) resonances in these metasurfaces have been revealed and utilized for applications such as sensing and lasing. The origin of these resonances stems from the interference of two nanoresonator modes with vastly different Q. Here we show that nonlinear optical processes can be further enhanced by utilizing these high-Q resonances in broken symmetry all-dielectric metasurfaces. As a result, we study second harmonic generation from broken symmetry metasurfaces made from III–V semiconductors and observe nontrivial spectral shaping of second-harmonic and multifold efficiency enhancement induced by high field localization and enhancement inside the nanoresonators.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS 2– x Se x

The isostructural heteroanionic compounds β-LiAsS 2–x Se x (x = 0, 0.25, 1, 1.75, 2) show a positive correlation between selenium content and second-harmonic response and greatly outperform the industry standard AgGaSe 2 . These materials crystallize in the noncentrosymmetric space group Cc as one-dimensional $\frac{1}{∞}$ [AsQ 2 ] - (Q = S, Se, S/Se) chains consisting of corner-sharing AsQ3 trigonal pyramids with charge-balancing Li + atoms interspersed between the chains. LiAsS 2–x Se x melts congruently for 0 ≤ x ≤ 1.75, but when the Se content exceeds x = 1.75, crystallization is complicated by a phase transition. This behavior is attributed to the β- to α-phase transition present in LiAsSe 2 , which is observed in the Se-rich compositions. The band gap decreases with increasing Se content, starting at 1.63 eV (LiAsS 2 ) and reaching 1.06 eV (β-LiAsSe 2 ). Second-harmonic generation measurements as a function of wavelength on powder samples of β-LiAsS 2–x Se x show that these materials exhibit significantly higher nonlinearity than AgGaSe 2 (d 36 = 33 pm/V), reaching a maximum of 61.2 pm/V for LiAsS 2 . In comparison, single-crystal measurements for LiAsSSe yielded a d eff = 410 pm/V. LiAsSSe, LiAsS 0.25 Se 1.75 , and β-LiAsSe 2 show phase-matching behavior for incident wavelengths exceeding 3 μm. The laser-induced damage thresholds from two-photon absorption processes are on the same order of magnitude as AgGaSe 2 , with S-rich materials slightly outperforming AgGaSe 2 and Se-rich materials slightly underperforming AgGaSe 2 .

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

Atomically phase-matched second-harmonic generation in a 2D crystal

Second-harmonic generation (SHG) has found extensive applications from hand-held laser pointers to spectroscopic and microscopic techniques. Recently, some cleavable van der Waals (vdW) crystals have shown SHG arising from a single atomic layer, where the SH light elucidated important information such as the grain boundaries and electronic structure in these ultra-thin materials. However, despite the inversion asymmetry of the single layer, the typical crystal stacking restores inversion symmetry for even numbers of layers leading to an oscillatory SH response, drastically reducing the applicability of vdW crystals such as molybdenum disulfide (MoS 2 ). Here, we probe the SHG generated from the noncentrosymmetric 3R crystal phase of MoS 2 . We experimentally observed quadratic dependence of second-harmonic intensity on layer number as a result of atomically phase-matched nonlinear dipoles in layers of the 3R crystal that constructively interfere. By studying the layer evolution of the A and B excitonic transitions in 3R-MoS 2 using SHG spectroscopy, we also found distinct electronic structure differences arising from the crystal structure and the dramatic effect of symmetry and layer stacking on the nonlinear properties of these atomic crystals. The constructive nature of the SHG in this 2D crystal provides a platform to reliably develop atomically flat and controllably thin nonlinear media.

3R-MoS2↗
DOE OSTI2022

Filming movies of attosecond charge migration in single molecules with high harmonic spectroscopy

Electron migration in molecules is the progenitor of chemical reactions and biological functions after light-matter interaction. Following this ultrafast dynamics, however, has been an enduring endeavor. Here we demonstrate that, by using machine learning algorithm to analyze high-order harmonics generated by two-color laser pulses, we are able to retrieve the complex amplitudes and phases of harmonics of single fixed-in-space molecules. These complex dipoles enable us to construct movies of laser-driven electron migration after tunnel ionization of N 2 and CO 2 molecules at time steps of 50 attoseconds. Moreover, the angular dependence of the migration dynamics is fully resolved. By examining the movies, we observe that electron holes do not just migrate along the laser polarization direction, but may swirl around the atom centers. Our result establishes a general scheme for studying ultrafast electron dynamics in molecules, paving a way for further advance in tracing and controlling photochemical reactions by femtosecond lasers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Extreme-ultraviolet spatiotemporal vortices via high harmonic generation

Spatiotemporal optical vortices (STOVs) are space–time structured light pulses with a unique topology that couples spatial and temporal domains and carry transverse orbital angular momentum (OAM). Up to now, their generation has been limited to the visible and infrared regions of the spectrum. During the last decade, it was shown that through the process of high-order harmonic generation, it is possible to upconvert spatial optical vortices that carry longitudinal OAM from the near-infrared into the extreme-ultraviolet (EUV), thereby producing vortices with distinct femtosecond and attosecond structure. In this work, we demonstrate theoretically and experimentally the generation of EUV spatiotemporal and spatiospectral vortices using near-infrared STOV driving laser pulses. Here, we use analytical expressions for focused STOVs to perform macroscopic calculations of high-order harmonic generation that are directly compared to the experimental results. As STOV beams are not eigenmodes of propagation, we characterize the highly charged EUV STOVs in both the near and far fields to show that they represent conjugated spatiotemporal and spatiospectral vortex pairs. Our work provides high-frequency light beams topologically coupled at the nanometre/attosecond scales domains with transverse OAM that could be suitable to explore electronic dynamics in magnetic materials, chiral media and nanostructures.

High-harmonic generation↗
DOE OSTI2024

Adaptive Narrowband Damping for Improving Harmonic Stability of Modular Multilevel Converter

Harmonic instability events between modular multilevel converter (MMC) and ac systems have been widely reported in recent years. To damp harmonic resonance, this paper proposes an adaptive narrowband damping control that automatically programs, adds, and adjusts the damping around the oscillation frequency when an oscillation is detected. First, the paper presents a low-pass filter design for MMC control loops that pushes all negative damping of the MMC impedance down to the medium-frequency range (< ~ 1000 Hz). Then, an adaptive damping control that uses online oscillation detection is proposed, which can automatically configure the narrowband damper to provide positive damping to the MMC around the detected oscillation frequency. In contrast to existing narrowband damping methods, the proposed adaptive narrowband damper dynamically adjusts the damping gain and the width of the damping range based on continuous monitoring of system resonance conditions (e.g., adjust damping gain to zero when the system resonance disappears). Electromagnetic transient simulation results validate the efficacy of the proposed method in two typical MMC-based power systems.

active damping↗
DOE OSTI2013

In-situ characterization of femtosecond laser-induced crystallization in borosilicate glass using time-resolved surface third-harmonic generation

Coherent phonon dynamics in condensed-phase medium are responsible for important material properties including thermal and electrical conductivities. We report a structural dynamics technique, time-resolved surface third-harmonic generation (TRSTHG) spectroscopy, to capture transient phonon propagation near the surface of polycrystalline CaF{sub 2} and amorphous borosilicate (BK7) glass. Our approach time-resolves the background-free, high-sensitivity third harmonic generation (THG) signal in between the two crossing near-IR pulses. Pronounced intensity quantum beats reveal the impulsively excited low-frequency Raman mode evolution on the femtosecond to picosecond timescale. After amplified laser irradiation, danburite-crystal-like structure units form at the glass surface. This versatile TRSTHG setup paves the way to mechanistically study and design advanced thermoelectrics and photovoltaics.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Second harmonic generation in photonic crystal cavities in (111)-oriented GaAs

We demonstrate second harmonic generation at telecommunications wavelengths in photonic crystal cavities in (111)-oriented GaAs. We fabricate 30 photonic crystal structures in both (111)- and (100)-oriented GaAs and observe an increase in generated second harmonic power in the (111) orientation, with the mean power increased by a factor of 3, although there is a large scatter in the measured values. We discuss possible reasons for this increase, in particular, the reduced two photon absorption for transverse electric modes in (111) orientation, as well as a potential increase due to improved mode overlap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A double-beam magnetron-injection gun for third-harmonic continuous wave 1-THz gyrotron

The concept of a continuous wave 1-kW/1-THz gyrotron operated at the third cyclotron harmonic of the transverse electric TE{sub 9,7} operating mode has been developed. To suppress the mode competition effects in a terahertz gyrotron, we propose a scheme with two generating helical electron beams (HEBs) formed in a double-beam triode magnetron-injection gun (MIG), where both emitters of the electron beams are located on a common cathode of the conventional MIG. An optimal geometry of the MIG electrodes is found. It is shown that in a proposed scheme two HEBs having close pitch factors and a moderate velocity spread can be formed. This makes them suitable for high-efficiency single-mode generation in the high frequency gyrotron at high harmonic.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Nonlinearly driven harmonics of Alfvén modes

In order to study the leading order nonlinear magneto-hydrodynamic (MHD) harmonic response of a plasma in realistic geometry, the AEGIS code has been generalized to account for inhomogeneous source terms. These source terms are expressed in terms of the quadratic corrections that depend on the functional form of a linear MHD eigenmode, such as the Toroidal Alfvén Eigenmode. The solution of the resultant equation gives the second order harmonic response. Preliminary results are presented here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Genetic algorithm applied to the optimization of quantum cascade lasers with second harmonic generation

A computational model for the optimization of the second order optical nonlinearities in GaInAs/AlInAs quantum cascade laser structures is presented. The set of structure parameters that lead to improved device performance was obtained through the implementation of the Genetic Algorithm. In the following step, the linear and second harmonic generation power were calculated by self-consistently solving the system of rate equations for carriers and photons. This rate equation system included both stimulated and simultaneous double photon absorption processes that occur between the levels relevant for second harmonic generation, and material-dependent effective mass, as well as band nonparabolicity, were taken into account. The developed method is general, in the sense that it can be applied to any higher order effect, which requires the photon density equation to be included. Specifically, we have addressed the optimization of the active region of a double quantum well In{sub 0.53}Ga{sub 0.47}As/Al{sub 0.48}In{sub 0.52}As structure and presented its output characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Propagation of nonlinearly generated harmonic spin waves in microscopic stripes

We report on the experimental study of the propagation of nonlinearly generated harmonic spin waves in microscopic CoFeB stripes. Using an all electrical technique with coplanar waveguides, we find that two kinds of spin waves can be generated by nonlinear frequency multiplication. One has a non-uniform spatial geometry and thus requires appropriate detector geometry to be identified. The other corresponds to the resonant fundamental propagative spin waves and can be efficiently excited by double- or triple-frequency harmonics with any geometry. Nonlinear excited spin waves are particularly efficient in providing an electrical signal arising from spin wave propagation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

RF physics of ICWC discharge at high cyclotron harmonics

Recent experiments on Ion Cyclotron Wall Conditioning (ICWC) performed in tokamaks TEXTOR and ASDEX Upgrade with standard ICRF antennas operated at fixed frequencies but variable toroidal magnetic field demonstrated rather contrasting parameters of ICWC discharge in scenarios with on-axis fundamental ion cyclotron resonance (ICR) for protons,ω=ω{sub H+}, and with its high cyclotron harmonics (HCH), ω=10ω{sub cH+}⋅ HCH scenario: very high antenna coupling to low density RF plasmas (P{sub pl}≈0.9P{sub RF-G}) and low energy Maxwellian distribution of CX hydrogen atoms with temperature T{sub H}≈350 eV. Fundamental ICR: lower antenna-plasma coupling efficiency (by factor of about 1.5 times) and generation of high energy non-Maxwellian CX hydrogen atoms (with local energy E{sub ⊥H} ≥1.0 keV). In the present paper, we analyze the obtained experimental results numerically using (i) newly developed 0-D transport code describing the process of plasma production with electron and ion collisional ionization in helium-hydrogen gas mixture and (ii) earlier developed 1-D Dispersion Relation Solver accounting for finite temperature effects and collision absorption mechanisms for all plasma species in addition to conventionally examined Landau/TTPM damping for electrons and cyclotron absorption for ions. The numerical study of plasma production in helium with minor hydrogen content in low and high toroidal magnetic fields is presented. The investigation of the excitation, conversion and absorption of plasma waves as function of B{sub T}-field suggests that only fast waves (FW) may give a crucial impact on antenna coupling and characteristics of the ICWC discharge using standard poloidally polarized ICRF antennas designed to couple RF power mainly to FW. The collisional (non-resonant) absorption by electrons and ions and IC absorption by resonant ions of minor concentration in low T{sub e} plasmas is studied at fundamental ICR and its high harmonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Integro-differential modeling of ICRH wave propagation and damping at arbitrary cyclotron harmonics and wavelengths in tokamaks

Both at low and higher cyclotron harmonics, properly accounting for finite Larmor radius effects is crucial in many ion cyclotron resonance frequency heating scenarios creating high energy tails. The present paper discusses ongoing work to extend the 1D TOMCAT wave equation solver [D. Van Eester and R. Koch, Plasma Phys. Contr. Fusion 40 (1998) 1949] to arbitrary harmonics and arbitrary wavelengths. Rather than adopting the particle position, the guiding center position is used as the independent variable when writing down an expression for the dielectric response. Adopting a philosophy originally due to Kaufman [A.N. Kaufman, Phys. Fluids 15 (1972) 1063], the relevant dielectric response in the Galerkin formalism is written in a form where the electric field and the test function vector appear symmetrically, which yields a power balance equation that guarantees non-negative absorption for any wave type for Maxwellian plasmas. Moreover, this choice of independent variable yields intuitive expressions that can directly be linked to the corresponding expressions in the RF diffusion operator. It also guarantees that a positive definite power transfer from waves to particles is ensured for any of the wave modes in a plasma in which all populations have a Maxwellian distribution, as is expected from first principles. Rather than relying on a truncated Taylor series expansion of the dielectric response, an integro-differential approach that retains all finite Larmor radius effects [D. Van Eester and E. Lerche, Plasma Phys. Control. Fusion 55 (2013) 055008] is proposed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Limitations and improvements for harmonic generation measurements

A typical acoustic harmonic generation measurement comes with certain limitations. Firstly, the use of the plane wave-based analysis used to extract the nonlinear parameter, β, ignores the effects of diffraction, attenuation and receiver averaging which are common to most experiments, and may therefore limit the accuracy of a measurement. Secondly, the method usually requires data obtained from a through-transmission type setup, which may not be practical in a field measurement scenario where access to the component is limited. Thirdly, the technique lacks a means of pinpointing areas of damage in a component, as the measured nonlinearity represents an average over the length of signal propagation. Here we describe a three-dimensional model of harmonic generation in a sound beam, which is intended to provide a more realistic representation of a typical experiment. The presence of a reflecting boundary is then incorporated into the model to assess the feasibility of performing single-sided measurements. Experimental validation is provided where possible. Finally, a focusing acoustic source is modelled to provide a theoretical indication of the afforded advantages when the nonlinearity is localized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Second harmonic generation from direct band gap quantum dots pumped by femtosecond laser pulses

We report on nonlinear optical experiments performed on Cu{sub 2}S quantum dots (QDs) pumped by femtosecond laser pulses. We conduct a theoretical simulation and experiments to determine their second harmonic generation characteristics. Furthermore, we demonstrate that the QDs have a second harmonic generation conversion efficiency of up to 76%. Our studies suggest that these Cu{sub 2}S QDs can be used for solar cells, bioimaging, biosensing, and electric detection.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗