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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Screening of Coulombic Interactions To Achieve a Higher Power Factor in Conjugated Polymers

Thermoelectric properties of conducting polymers typically suffer from molecular chain disordering, as charge transport is predominantly controlled by morphology. This is especially more problematic when counterions are introduced to tune the carrier concentration for optimal thermoelectric performance, which disturbs the morphology further. Here, in this work, we introduce a new avenue for enhancing thermoelectric properties without needing to regulate the morphology, namely, by controlling the coulombic interaction between polarons and counterions. We perform in situ de-doping thermoelectric experiments over 3 orders of magnitude change in electrical conductivity of three distinct thermoelectric polymers, namely, poly(3-hexylthiophene-2,5-diyl) (P3HT), poly[2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene] (PBTTT-C 12 ), and poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (OD-PDPP2T-TT) conjugated polymers, followed by grazing-incidence wide-angle X-ray scattering (GIWAXS) to study their respective morphologies. We demonstrate a 9-fold enhancement in the thermoelectric power factor in OD-PDPP2T-TT compared to PBTTT-C 12 and link it to the coulombic screening of charge carriers, including in the optimally doped regime. We support this hypothesis using Boltzmann transport equations and show that, in both P3HT and PBTTT-C 12 , as the polymer is doped, impurity scattering remains the dominant scattering mechanism, while in OD-PDPP2T-TT, the scattering mechanism changes from impurity to acoustic phonon limited, resulting in more effective screening of ionized counterions. Our results provide an additional knob to enhance the fundamental understanding of thermoelectric physics of conducting polymers and provide a pathway to achieve higher performance in the field of organic thermoelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Continuous and Time-Domain Coherent Signal Conversion between Optical and Microwave Frequencies

A quantum network consisting of computational nodes connected by high-fidelity communication channels could expand information-processing capabilities significantly beyond those of classical networks. Superconducting qubits hold promise for scalable and high-fidelity quantum computation at microwave frequencies but must operate in an isolated cryogenic environment, obviating the potential for practical long-range communication. Quantum communication has, however, been demonstrated with optical photons. A fast efficient quantum-coherent interface between superconducting qubits and optical photons would provide a key resource for a large-scale quantum network or distributed quantum computer. Here, we describe the design and experimental operation of a device incorporating a silicon optomechanical nanobeam combined with an aluminum-nitride-based electromechanical transducer. We experimentally demonstrate classical continuous-wave operation of this device at room temperature with external conversion efficiencies of (2.5 +/- 0.4) x 10 -5 (microwave to optical) and (3.8 +/- 0.4) x 10 -5 (optical to microwave), corresponding to internal efficiencies of 2.4% and 3.7%, respectively. Finally, this device also has a larger bandwidth than previous efficient microwave-optical transducers, allowing us to operate in the time domain with 20-ns pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Strong magnetoelastic coupling in Mn 3 X ( X = Ge , Sn)

Here we measure the full elastic tensors of Mn 3 Ge and Mn 3 Sn as a function of temperature through their respective antiferromagnetic phase transitions. Large discontinuities in the bulk moduli at the Néel transitions indicate strong magnetoelastic coupling in both compounds. Strikingly, the discontinuities are nearly a factor of 10 larger in Mn 3 Ge than in Mn 3 Sn. We use the magnitudes of the discontinuities to calculate the pressure derivatives of the Néel temperature, which are 39 K/GPa 14.3 K/GPa for Mn 3 Ge and Mn 3 Sn, respectively. We measured the in-plane shear modulus c 66 , which couples strongly to the magnetic order, in magnetic fields up to 18 T and found quantitatively similar behavior in both compounds. Recent measurements have demonstrated strong piezomagnetism in Mn 3 Sn : Our results suggest that Mn 3 Ge may be an even better candidate for this effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microscopic Mechanisms of Glasslike Lattice Thermal Transport in Cubic Cu 12 Sb 4 S 13 Tetrahedrites

Materials based on cubic tetrahedrites (Cu 12 Sb 4 S 13 ) are useful thermoelectrics with unusual thermal and electrical transport properties, such as very low and nearly temperature-independent lattice thermal conductivity (κ L ). We explain the microscopic origin of the glasslike κ L in Cu 12 Sb 4 S 13 by explicitly treating anharmonicity up to quartic terms for both phonon energies and phonon scattering rates. We show that the strongly unstable phonon modes associated with trigonally coordinated Cu atoms are anharmonically stabilized above approximately 100 K and continue hardening with increasing temperature in accord with experimental data. This temperature-induced hardening effect reduces scattering of heat carrying acoustic modes by reducing the available phase space for three-phonon processes, thereby balancing the conventional ∝ T increase in scattering due to phonon population and yielding nearly temperature independent κ L . Furthermore, we find that very strong phonon broadening leads to a qualitative breakdown of the conventional phonon-gas model and modify the dominant heat transport mechanism from the particlelike phonon wave packet propagation to incoherent contributions described by the off-diagonal terms in the heat-flux operator, which are typically prevailing in glasses and disordered crystals. Furthermore, our work paves the way to a deeper understanding of glasslike thermal conductivity in complex crystals with strong anharmonicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Improved Water Sound Synthesis using Coupled Bubbles

We introduce a practical framework for synthesizing bubble-based water sounds that captures the rich inter-bubble coupling effects responsible for low-frequency acoustic emissions from bubble clouds. We propose coupled-bubble oscillator models with regularized singularities, and techniques to reduce the computational cost of time stepping with dense, time-varying mass matrices. Airborne acoustic emissions are estimated using finite-difference time-domain (FDTD) methods. We propose a simple, analytical surface-acceleration model, and a sample-and-hold GPU wavesolver that is simple and faster than prior CPU wavesolvers. Sound synthesis results are demonstrated using bubbly flows from incompressible, two-phase simulations, as well as procedurally generated examples using single-phase FLIP fluid animations. Our results demonstrate sound simulations with hundreds of thousands of bubbles, and perceptually significant frequency transformations with fuller low-frequency content.

Computer Science↗
DOE OSTI2020

Mapping of Benthic Habitats at Marine Renewable Energy Sites Using Multibeam Echosounder and Sediment Profile Imaging Technologies

Objectives/Scope: The goal of this work was to develop a consistent and semi-automated seafloor survey method for generating high-resolution, benthic habitat maps for environmental assessments and monitoring of marine renewable energy sites. Sediment profile and plan view imaging (SPI/PV) technology was combined with multibeam bathymetry and acoustic backscatter methods to demonstrate a rapid, cost-effective benthic mapping protocol. A key technical innovation of this project was the development of an image processing platform that automatically measures key features from the images. Methods: Multibeam echosounder (MBES) acoustic and SPI/PV surveys were conducted at three coastal areas off the U.S. west coast, including the PacWave South energy test site off of Newport, Oregon. Point data on physical and biological sediment conditions obtained from the SPI/PV imagery were used to efficiently ground-truth the high-resolution MBES bathymetry and backscatter mosaics. The SPI camera is an optical corer that obtains an undisturbed 21 by 15 cm, high-resolution, cross-sectional image of the sediment–water interface and upper sediment column. The plan view camera attached to the SPI camera frame captures a downward looking view of the seabed immediately before the SPI image is obtained. As part of this project, we developed a computer vision image processing platform (iSPI) that uses deep convolutional neural networks and other approaches to automatically identify and measure key features in the images, such as grain size and surface relief. Results: Detailed benthic habitat maps were generated using this mapping approach for three different marine settings. The sites mapped included a silt-dominated embayment; a sloping, nearshore, transitional very fine to coarse sand bottom; and a medium, sand-dominated continental shelf marine energy test site. In each case, acoustic and imaging surveys were completed in less than week, and detailed benthic habitat maps were generated within 60 days. The results were placed within the Coastal and Marine Ecological Classification Standard (CMECS) habitat mapping framework, and various combinations of the bathymetry, backscatter, and SPI and PV data were used to generate CMECS component maps. Novel Information: This project developed and demonstrated a repeatable and cost-effective approach for efficiently mapping benthic habitat conditions over broad areas of the seafloor by combining state-of-the-art acoustic and imaging techniques. The primary survey tools used in this project have been used previously in both the offshore renewable (wind) and oil and gas sectors to map and monitor benthic environments. This project’s innovations include 1) the focused use of high-resolution SPI/PV imagery to ground-truth acoustic mosaics, and 2) the development of a computer automated image analysis processing tool that both streamlines and standardizes the generation of data from the imagery and makes the data extraction process more cost-effective and repeatable.

13 HYDRO ENERGY↗
DOE OSTI2020

Sensitivity Studies of Premixed Flame Response to Transverse, High Frequency Disturbances

This study analyzes the response of premixed flames to high frequency transverse acoustic disturbances. A significant body of experiment, modeling and simulation efforts has been performed to understand the response of the spatially integrated heat release of premixed flames to low-frequency disturbances. These studies quantified this sensitivity through the Flame Transfer Function (FTF), as the global heat release is the key quantity influencing thermoacoustic stability for acoustically compact flames. Recent efforts have expanded these models to consider high-frequency acoustic disturbances, and the sensitivity of premixed flames through the Rayleigh integral (RI). The full Rayleigh Integral, as opposed to simply the spatially integrated heat release, must be considered in these cases where the flame is not acoustically compact. Prior modeling studies considered several effects - stability of axisymmetric flames centered in a cylindrical combustion chamber and the effect of flame offset from the combustor axis and the effect of mean flame asymmetries in the flame centered in the combustor. These studies showed that the flame's stability was sensitive to all these parameters, as well as to the transverse mode in question. In this paper, we quantify these different parametric sensitivities of premixed flame stability in the presence of high-frequency transverse acoustic modes - specifically sensitivity to flame length and nozzle location within the acoustic mode shape for 2 different transverse modes. The sensitivity of the RI to these control parameters provides an improved understanding of which flame parameters are critical to improve the overall thermoacoustic stability of the system.

Acharya, Vishal S.↗
DOE OSTI2024

Handling and Tagging Techniques for Implanting Juvenile American Shad with a New Acoustic Microtransmitter

In this article, the use of telemetry techniques to better understand the behavior and survival of juvenile American shad (Alosa sapidissima), as they migrate through hydropower systems, has been challenging because shad are widely known to be particularly sensitive to handling. The goal of this study was to develop a tagging protocol using a new, acoustic micro transmitter that minimizes the detrimental effects of the tagging process and maximizes post-tagging survival of juvenile American shad. Limiting out-of-water handling and the use of brackish saltwater (7.5 parts per thousand) before and after tagging improved survival for shad tagged using a simple pectoral implantation method. This protocol provides a detailed, step-by-step procedure for tagging juvenile shad with acoustic transmitters. Fish tagged using this procedure and held in the laboratory for 60 days had an 81.5% survival rate, compared to 70% for their untagged counterparts. The successful tagging and handling practices developed in this study could be applied to field telemetry studies of juvenile shad and other sensitive species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Acoustic‐Modulated, Selective Particle Deposition for Muti‐Material Additive Manufacturing

Powder‐based additive manufacturing (AM) is an important technology in fabricating complex 3D products. In powder‐based AM, a powder deposition system plays a key role in determining the resolution, density, and properties of printed parts. An acoustic‐actuated particle deposition approach, which utilizes acoustic waves to actuate a glass nozzle, enables the deposition of particles in a cost‐effective way. However, the capability to programmably deposit different particles using acoustic waves has yet to be fully demonstrated. Herein, a selective particle deposition approach via acoustic modulation for muti‐material AM is demonstrated. Sequential and parallel depositions of two types of particles by modulating the signal inputs and resonant frequencies of piezo transducers are demonstrated. An AM process is demonstrated by integrating this acoustic‐actuated particle deposition approach with a heat‐curing mechanism. Several products from this system are produced as well. It is expected that this particle deposition approach can be used in a wide spectrum of applications, such as direct manufacturing of multi‐functional materials/devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Role of ion acoustic instability in magnetic reconnection

We report on a first-principles numerical study of magnetic reconnection in plasmas with different initial ion-to-electron temperature ratios. In cases where this ratio is significantly below unity, we observe intense wave activity in the diffusion region, driven by the ion-acoustic instability. Our analysis shows that the dominant macroscopic effect of this instability is to drive substantial ion heating. In contrast to earlier studies reporting significant anomalous resistivity, we find that anomalous contributions due to the ion-acoustic instability are minimal. These results shed light on the dynamical impact of this instability on reconnection processes, offering new insights into the fundamental physics governing collisionless reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Identifications and classifications of human locomotion using Rayleigh-enhanced distributed fiber acoustic sensors with deep neural networks

Abstract This paper reports on the use of machine learning to delineate data harnessed by fiber-optic distributed acoustic sensors (DAS) using fiber with enhanced Rayleigh backscattering to recognize vibration events induced by human locomotion. The DAS used in this work is based on homodyne phase-sensitive optical time-domain reflectometry (φ-OTDR). The signal-to-noise ratio (SNR) of the DAS was enhanced using femtosecond laser-induced artificial Rayleigh scattering centers in single-mode fiber cores. Both supervised and unsupervised machine-learning algorithms were explored to identify people and specific events that produce acoustic signals. Using convolutional deep neural networks, the supervised machine learning scheme achieved over 76.25% accuracy in recognizing human identities. Conversely, the unsupervised machine learning scheme achieved over 77.65% accuracy in recognizing events and human identities through acoustic signals. Through integrated efforts on both sensor device innovation and machine learning data analytics, this paper shows that the DAS technique can be an effective security technology to detect and to identify highly similar acoustic events with high spatial resolution and high accuracies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Measurements of the polarization of several instabilities in the DIII-D tokamak

Recently, a method to infer the polarization of modes with frequencies much less than the ion cyclotron frequency was published [X.D. Du et al., Phys. Rev. Lett. 132 (2024) 215101]. The method uses measurements of electron temperature and density fluctuations δTₑ and δnₑ at the same spatial position to infer the local ratio of “acoustic polarization,” |δϕ ∥ |/(|δϕ ∥ |+|δψ|), where δϕ ∥ is the effective parallel potential and δψ is related to the parallel magnetic vector potential A ∥ . This paper summarizes key formulas, with emphasis on their range of validity, and elaborates on the workflow required to infer the acoustic polarization from experimental data. The drift-acoustic polarization of ellipticity-induced, toroidicity-induced, and reversed shear Alfvén eigenmodes is nearly zero, as expected for modes with predominately shear-Alfvénic polarization. The polarization of beta-induced Alfvén eigenmodes contains an acoustic component that increases with poloidal wave number. “Low frequency modes,” (instabilities that appear transiently when the minimum of the safety factor qₘᵢₙ passes through rational values) have large and highly variable acoustic polarization. In both experiment and simulation, fishbones have non-zero acoustic polarization that increases as the mode chirps down in frequency.

Alfven eigenmode↗
DOE OSTI2021

Characterization of hollow cathode plasma turbulence using coherent Thomson scattering

Turbulence in hollow cathodes used for space propulsion is believed to play an important role in anomalous electron transport and ion heating. In this work, the implementation of coherent Thomson scattering to identify and characterize MHz-frequency ion acoustic turbulence and kHz-frequency oscillations in the plume of a hollow cathode is achieved. In the presence of a background magnetic field of a Hall thruster, a number of unstable modes are observed. A directive ion acoustic mode propagating predominantly within a restricted angle around the magnetic field is found, exhibiting an energy scaling with wavenumber k of the form k -5.2±0.58 , which differs from the classic Kadomtsev k -3 scaling for unmagnetized conditions. Bi-directional ion acoustic mode fluctuations propagating over a range of angles with respect to the magnetic field have been measured, possibly signifying the existence of a large-amplitude plasma wave, similar to the Buneman instability. Finally, electron density fluctuations in the kHz-frequency range, a possible consequence of drift-driven instabilities in the plane perpendicular to the magnetic field, have also been identified. Furthermore, these results not only are an indication of the diversity of wave types that exist in hollow cathode plumes but also point to the key role played by the presence of, and the configuration of, the magnetic field in their appearance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Detecting Thermally-Induced Spinodal Decomposition with Picosecond Ultrasonics in Cast Austenitic Stainless Steels

Destructive techniques to monitor nuclear reactor component health may not always be available during service, as they are time-consuming and often require pre-installed inspection coupons. Non-destructive evaluation (NDE) techniques can bridge this gap by rapidly identifying the state of mission-critical reactor components, via inference between NDE-measurable material properties and those of ultimate interest, such as ductility and toughness. Here, we demonstrate one such inference about the health of thermally aged cast austenitic stainless steels. Observations of surface acoustic wave peak (SAW) splitting correlate with spinodal decomposition-induced embrittlement as destructively measured by Charpy impact energy. Elastodynamic calculations and molecular dynamics simulations of the effects of spinodal decomposition on elastic moduli support that the new acoustic modes present are due to stiffening in the δ-ferrite domains. Finally, this discovery enables one to probe structure-property relationships in materials in a greatly accelerated manner, suggesting that similar inference methods can be used to determine material fitness-for-service, or to quickly uncover new structure-property relationships.

304-type stainless steel↗
DOE OSTI2025

Modeling of the high column density systems in the Lyman-Alpha forest

The Lyman-α forests observed in the spectra of high-redshift quasars can be used as a tracer of the cosmological matter density to study baryon acoustic oscillations (BAO) and the Alcock-Paczynski effect. Extraction of cosmological information from these studies requires modeling of the forest correlations. While the models depend most importantly on the bias parameters of the intergalactic medium (IGM), they also depend on the numbers and characteristics of high-column-density systems (HCDs) ranging from Lyman-limit systems with column densities log N HI /1cm -2 > 17 to damped Lyman-α systems (DLAs) with log N HI /1cm -2 > 20.2. These HCDs introduce broad damped absorption characteristic of a Voigt profile. Consequently they imprint a component on the power spectrum whose modes in the radial direction are suppressed, leading to a scale-dependent bias. Using mock data sets of known HCD content, we test a model that describes this effect in terms of the distribution of column densities of HCDs, the Fourier transforms of their Voigt profiles and the bias of the halos containing the HCDs. Our results show that this physically well-motivated model describes the effects of HCDs with an accuracy comparable to that of the ad-hoc models used in published forest analyses. We also discuss the problems of applying the model to real data, where the HCD content and their bias is uncertain.

Lyman alpha forest↗
DOE OSTI2022

Dark Energy Survey Year 3 results: Measurement of the baryon acoustic oscillations with three-dimensional clustering

The three-dimensional correlation function offers an effective way to summarize the correlation of the large-scale structure even for imaging galaxy surveys. We have applied the projected three-dimensional correlation function, ξ p to measure the baryonic acoustic oscillations (BAO) scale on the first-three years Dark Energy Survey data. The sample consists of about 7 million galaxies in the redshift range 0.6< z p < 1.1 over a footprint of 4108 deg 2 . Our theory modeling includes the impact of realistic true redshift distributions beyond Gaussian photo-z approximation. ξ p is obtained by projecting the three-dimensional correlation to the transverse direction. To increase the signal-to-noise of the measurements, we have considered a Gaussian stacking window function in place of the commonly used top-hat. ξ p is sensitive to D M (z eff )/r s , the ratio between the comoving angular diameter distance and the sound horizon. Using the full sample, D M (z eff )/r s is constrained to be19.00 ± 0.67 (top-hat) and 19.15 ± 0.58 (Gaussian) at z eff = 0.835. The constraint is weaker than the angular correlation w constraint 18.84 ± 0.50), and we trace this to the fact that the BAO signals are heterogeneous across redshift. While ξ p responds to the heterogeneous signals by enlarging the error bar, w can still give a tight bound on D M s in this case. When a homogeneous BAO-signal subsample in the range 0.7 < z p <1.0 (z eff = 0.845) is considered, ξp yields 19.80 ± 0.67 (top-hat) and 19.84 ± 0.53 (Gaussian). The latter is mildly stronger than the w constraint (19.86 ± 0.55). We find that the ξ p results are more sensitive to photo-z because ξ p keeps the three-dimensional clustering information causing it to be more prone to photo-z noise. The Gaussian window gives more robust results than the top-hat as the former is designed to suppress the low signal modes. ξ p and the angular statistics such as w have their own pros and cons, and they serve an important crosscheck with each other.

79 ASTRONOMY AND ASTROPHYSICS↗