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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Shear-horizontal surface acoustic wave phononic device with high density filling material for ultra-low power sensing applications

Finite element simulations of a phononic shear-horizontal surface acoustic wave (SAW) sensor based on ST 90°-X Quartz reveal a dramatic reduction in power consumption. The phononic sensor is realized by artificially structuring the delay path to form an acoustic meta-material comprised of a periodic microcavity array incorporating high-density materials such as tantalum or tungsten. Constructive interference of the scattered and secondary reflected waves at every microcavity interface leads to acoustic energy confinement in the high-density regions translating into reduced power loss. Tantalum filled cavities show the best performance while tungsten inclusions create a phononic bandgap. Based on our simulation results, SAW devices with tantalum filled microcavities were fabricated and shown to significantly decrease insertion loss. Our findings offer encouraging prospects for designing low power, highly sensitive portable biosensors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The Seebeck Coefficient and Phonon Drag in Silicon

We present a theory of the phonon-drag Seebeck coe cient in nondegenerate semiconductors, and apply it to silicon for temperatures 30 < T < 300K. Our calculation uses only parameters from the literature, and previous calculations of the phonon lifetime. We nd excellent agreement with the measurements of Geballe and Hull [Phys.Rev. 98, 940 (1955)]. The phonon-drag term dominates at low temperature, and shows an important dependence on the dimensions of the experimental sample.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Beam paths of flexural Lamb waves at high frequency in the first band within phononic crystal-based acoustic lenses

This work deals with an analytical and numerical study of the focusing of the lowest order anti-symmetric Lamb wave in gradient index phononic crystals. Computing the ray trajectories of the elastic beam allowed us to analyze the lateral dimensions and shape of the focus, either in the inner or behind the phononic crystal-based acoustic lenses, for frequencies within a broad range in the first band. We analyzed and discussed the focusing behaviors inside the acoustic lenses where the focalization at sub-wavelength scale was achieved. The focalization behind the gradient index phononic crystal is shown to be efficient as well: we report on FMHM = 0.63λ at 11MHz.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Finite element analysis of true and pseudo surface acoustic waves in one-dimensional phononic crystals

In this paper, we report a theoretical investigation of surface acoustic waves propagating in one-dimensional phononic crystal. Using finite element method eigenfrequency and frequency response studies, we develop two model geometries suitable to distinguish true and pseudo (or leaky) surface acoustic waves and determine their propagation through finite size phononic crystals, respectively. The novelty of the first model comes from the application of a surface-like criterion and, additionally, functional damping domain. Exemplary calculated band diagrams show sorted branches of true and pseudo surface acoustic waves and their quantified surface confinement. The second model gives a complementary study of transmission, reflection, and surface-to-bulk losses of Rayleigh surface waves in the case of a phononic crystal with a finite number of periods. Here, we demonstrate that a non-zero transmission within non-radiative band gaps can be carried via leaky modes originating from the coupling of local resonances with propagating waves in the substrate. Finally, we show that the transmission, reflection, and surface-to-bulk losses can be effectively optimised by tuning the geometrical properties of a stripe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Evolution of spin phonon coupling by substituting Cd for Zn in the frustrated spinel ZnCr{sub 2}Se{sub 4}

Frustration makes a tremendous amount of degenerate ground states which provides no energy scale of its own. Any perturbation has to be considered strong and fascinating phenomena may be emergent upon relieving of frustration. Here, we report the evolution of spin phonon coupling in the frustrated spinel system Zn{sub 1−x}Cd{sub x}Cr{sub 2}Se{sub 4} (0 ≤ x ≤ 1) from magnetization, specific heat and thermal conductivity. Our results give clear evidences that the spin-orientated structural transitions decay rapidly as x going from 0 to 0.4 while the correlations between spin and lattice degrees of freedom for 0.6 ≤ x ≤ 1 become weak and can be explained in terms of the traditional magnetostriction effect. In addition, for 0 ≤ x ≤ 0.4 thermal carriers reveal strong scattering from spin fluctuations in the vicinity of T{sub N} owing to strong frustration, in stark contrast with those for 0.6 ≤ x ≤ 1 where traditional phonon-like heat conduction behaviors are observed. Moreover, it is shown that a moderate applied magnetic field can drive readily the fluctuations-scattered thermal conductivity toward traditional phonon-like one as observed in CdCr{sub 2}Se{sub 4}, reaching about 30% for x = 0.4 at 25 K in 1 T. Such strong field-sensitive effects may introduce new promising functionalities for potential applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Comparison of approximate solutions to the phonon Boltzmann transport equation with the relaxation time approximation: Spherical harmonics expansions and the discrete ordinates method

In this study, the phonon Boltzmann transport equation is used to analyze model problems in one and two spatial dimensions, under transient and steady-state conditions. New, explicit solutions are obtained by using the P 1 and P 3 approximations, based on expansions in spherical harmonics, and are compared with solutions from the discrete ordinates method. For steady-state energy transfer, it is shown that analytic expressions derived using the P 1 and P 3 approximations agree quantitatively with the discrete ordinates method, in some cases for large Knudsen numbers, and always for Knudsen numbers less than unity. However, for time-dependent energy transfer, the P N solutions differ qualitatively from converged solutions obtained by the discrete ordinates method. Although they correctly capture the wave-like behavior of energy transfer at short times, the P 1 and P 3 approximations rely on one or two wave velocities, respectively, yielding abrupt, step-changes in temperature profiles that are absent when the angular dependence of the phonon velocities is captured more completely. It is shown that, with the gray approximation, the P 1 approximation is formally equivalent to the so-called “hyperbolic heat equation.” In conclusion, these results support the use of the P N approximation to find solutions to the phonon Boltzmann transport equation for steady-state conditions. Such solutions can be useful in the design and analysis of devices that involve heat transfer at nanometer length scales, where continuum-scale approaches become inaccurate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

THz-frequency magnon-phonon-polaritons in the collective strong-coupling regime

Strong coupling between light and matter occurs when the two interact such that new hybrid modes, the so-called polaritons, are formed. Here, we report on the strong coupling of both the electric and the magnetic degrees of freedom to an ultrafast terahertz (THz) frequency electromagnetic wave. In our system, optical phonons in a slab of ferroelectric lithium niobate are strongly coupled to a THz electric field to form phonon-polaritons, which are simultaneously strongly coupled to magnons in an adjacent slab of canted antiferromagnetic erbium orthoferrite via the magnetic-field component of the same THz pulse. We juxtapose experimental results of bare slabs consisting of the two materials with a photonic crystal cavity, consisting of a two-dimensional array of air holes cut into the hybrid slab. In both cases, the strong coupling leads to the formation of new magnon-phonon-polariton modes, which we experimentally observe in the time domain as a normal-mode beating and which corresponds in the frequency domain to an avoided crossing. Finally, our simple yet versatile waveguide platform provides a promising avenue through which to explore ultrafast THz spintronics, quantum electrodynamics, sensing, and spectroscopic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Phonon interaction with ripples and defects in thin layered molybdenum disulfide

Compared to other extrinsic phonon scattering mechanisms such as surface and interior defects, phonon scattering and lattice thermal resistance due to structural rippling in few-layer two-dimensional (2D) materials are under-examined. Here, the temperature-dependent basal-plane thermal conductivities (κ) of one rippled and four flat molybdenum disulfide (MoS 2 ) samples are measured using a four-probe thermal transport measurement method. A flat 18 nm thick sample and a rippled 20 nm thick sample show similar peak κ values of 122 ± 17 and 129 ± 19 W m –1 K –1 , respectively. In comparison, a 32 nm thick flat sample has a peak κ value of only 58 ± 11 W m –1 K –1 despite having an increased thickness. The peak thermal conductivities of the five samples decrease with increasing integrated Raman intensity caused by defects in the frequency range of the phonon bandgap in MoS 2 . In conjunction with the experimental findings, theoretical calculations of the temperature-, thickness-, strain-, and defect-dependent κ of thin MoS 2 layers reveal the importance of interior defect scattering over scattering from compression-induced ripples and surface defects in these samples. Furthermore, the results further clarify the conditions where ripples are important in determining the basal plane thermal resistance in layered systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Perspective on ab initio phonon thermal transport

Coupling of the Peierls-Boltzmann equation with density functional theory paved the way for predictive thermal materials discovery and a variety of new physical insights into vibrational transport behaviors. Here, rapid theoretical and numerical developments have generated a wealth of thermal conductivity data and understanding of a wide variety of materials—1D, 2D, and bulk—for thermoelectric and thermal management applications. Nonetheless, modern ab initio descriptions of phonon thermal transport face challenges regarding the effects of defects, disorder, structural complexity, strong anharmonicity, quasiparticle couplings, and time and spatially varying perturbations. Highlighting recent research on these issues, this perspective explores opportunities to expand current ab initio phonon transport techniques beyond the paradigm of weakly perturbed crystals, to the wider variety of materials possible. Recent developments in phonon-defect interactions, complexity, disorder and anharmonicity, hydrodynamic transport, and the rising roles of molecular dynamics simulations, high throughput, and machine learning tools are included in this perspective. Lastly, as more sophisticated theoretical and computational methods continue to advance thermal transport predictions, novel vibrational physics and thermally functional materials will be discovered for improved energy technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phonon-induced near-field resonances in multiferroic BiFeO 3 thin films at infrared and THz wavelengths

Multiferroic BiFeO$_3$ (BFO) shows several phonon modes at infrared (IR) to THz energies, which are expected to carry information on any sample property coupled to crystal lattice vibrations. While macroscopic IR studies of BFO are often limited by single-crystal size, scattering-type scanning near-field optical microscopy (s-SNOM) allows for IR thin film spectroscopy of nanoscopic probing volumes with negligible direct substrate contribution to the optical signal. In fact, polaritons such as phonon polaritons of BFO introduce a resonant tip–sample coupling in s-SNOM, leading to both stronger signals and enhanced sensitivity to local material properties. Here in this paper, we explore the near-field response of BFO thin films at three consecutive resonances (centered around 5 THz, 13 THz, and 16 THz), by combining s-SNOM with a free-electron laser. We study the dependence of these near-field resonances on both the wavelength and tip–sample distance. Enabled by the broad spectral range of the measurement, we probe phonon modes connected to the predominant motion of either the bismuth or oxygen ions. Therefore, we propose s-SNOM at multiple near-field resonances as a versatile and very sensitive tool for the simultaneous investigation of various sample properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Loss channels affecting lithium niobate phononic crystal resonators at cryogenic temperature

Here, we investigate the performance of microwave-frequency phononic crystal resonators fabricated on thin-film lithium niobate for integration with superconducting quantum circuits. For different design geometries at millikelvin temperatures, we achieve mechanical internal quality factors Qi above 10 5 –10 6 at high microwave drive power, corresponding to 5×10 6 phonons inside the resonator. By sweeping the defect size of resonators with identical mirror cell designs, we are able to indirectly observe signatures of the complete phononic bandgap via the resonators' internal quality factors. Examination of quality factors' temperature dependence shows how superconducting and two-level system (TLS) loss channels impact device performance. Finally, we observe an anomalous low-temperature frequency shift consistent with resonant TLS decay and find that the material choice can help to mitigate these losses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Phonon-mediated quantum efficiency measurement in semiconductors

Accurate quantum efficiency measurement not only provides crucial information for the photovoltaic cell industry but also supports experiments aimed at directly detecting dark matter and elastic neutrino interactions. The dark matter direct searches paradigm has recently expanded to include particles with masses below 1,MeV/c2, where the expected signal in an electron–recoil interaction is approximately in the eV range, just above the energy gap for silicon and germanium. A robust calibration method for ionization signals in this lower energy region is essential. This paper presents a method for measuring quantum efficiency and yield (q/E) in semiconductors using phonon-mediated calorimetry. The Neganov–Trofimov–Luke phonon amplification method in low-temperature semiconductor crystals has been employed to indirectly measure ionization down to single-electron accuracy. Specifically, at zero bias, the phonon readout directly quantifies the total energy deposited within the detector, independent of the ionization yield. This eliminates a significant source of systematic uncertainty in quantum efficiency estimates associated with total energy uncertainty. The paper includes results from an updated ionization efficiency measurement in a germanium detector.

Physics↗
DOE OSTI2025

Integrated phononic waveguide on thin-film lithium niobate on diamond

Here, we demonstrate wavelength-scale phononic waveguides formed by transfer-printed thin-film lithium niobate (LN) on bulk diamond, a material stack that combines the strong piezoelectricity of LN with the high acoustic velocity and color-center compatibility of diamond. We characterize a delay line based on a 100 μm long phononic waveguide at room and cryogenic temperatures. The total insertion loss through the device at 4 K is −5.8 dB, corresponding to a $>$ 50 % transducer efficiency, at a frequency of 2.8 GHz. Our work represents a step toward phonon-mediated hybrid quantum systems consisting of strain-sensitive color centers in diamond.

Malik, Sultan [Stanford Univ., CA (United States)]↗
DOE OSTI2015

Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides

Polarized Raman scattering spectra of superconducting K x Fe 2-y Se 2 and nonsuperconducting K 0.8 Fe 1.8 Co 0.2 Se 2 single crystals were measured in a temperature range from 10 K up to 300 K. Two Raman active modes from the I4/mmm phase and seven from the I4/m phase are observed in frequency range from 150 to 325 cm -1 in both compounds, suggesting that K 0.8 Fe 1.8 Co 0.2 Se 2 single crystal also has two-phase nature. Temperature dependence of Raman mode energy is analyzed in terms of lattice thermal expansion and phonon-phonon interaction. Temperature dependence of Raman mode linewidth is considered as temperature-induced anharmonic effects. It is shown that change of Raman mode energy with temperature is dominantly driven by thermal expansion of the crystal lattice. Abrupt change of the A 1g mode energy near T C was observed in K x Fe 2-y Se 2 , whereas it is absent in K 0.8 Fe 1.8 Co 0.2 Se 2 . Phonon energy hardening at low temperatures in the superconducting sample is a consequence of superconductivity-induced redistribution of the electronic states below critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A strategy to identify materials exhibiting a large nonlinear phononics response: tuning the ultrafast structural response of LaAlO 3 with pressure

We use theory and first-principles calculations to investigate how structural changes induced by ultrafast optical excitation of infrared-active phonons change with hydrostatic pressure in LaAlO 3 . Our calculations show that the observed structural changes are sensitive to pressure, with the largest changes occurring at pressures near the boundary between the cubic perovskite and rhombohedral phases. We rationalize our findings by defining a figure of merit that depends only on intrinsic materials quantities, and show that the peak response near the phase boundary is dictated by different microscopic materials properties depending on the particular phonon mode being excited. Our work demonstrates how it is possible to systematically identify materials that may exhibit particularly large changes in structure and properties due to optical excitation of infrared-active phonons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Evolution of charge density wave soft phonon modes in Pd 𝑥 ⁢ErTe 3

Here, we investigated the lattice dynamics of quasi-two-dimensional Pd-intercalated ErTe 3 in relation to its charge-density-wave (CDW) transitions by means of x-ray diffuse and meV-resolution inelastic x-ray scattering. In pristine ErTe 3 , CDW order develops at orthogonal in-plane wave vectors q$^𝑐_1$ =(0,0,0.29) (the 𝑐−CDW ) and q$^𝑎_2 $= (0.31,0,0) (the 𝑎−CDW ), with transition temperatures $𝑇^𝑐_1$ = 270K and $𝑇^𝑎_2$ = 160K, respectively. Remarkably, we observe diffuse x-ray scattering already near the higher transition temperature $𝑇^𝑐_1$ along 𝑎−CDW but at a slightly different wave vector q$^𝑎_1$ = (0.29,0,0). Inelastic x-ray scattering for Pd 0.01 ⁢ErTe 3 shows that a partial phonon softening at q$^𝑎_1$, underscoring the strong competition between ordering tendencies along the nearly equivalent in-plane axes of the orthorhombic lattice. For intercalation levels 𝑥 ≥ 0.02, the 𝑎−CDW state is suppressed. Nevertheless, a similar correlation between phonon softening and diffuse scattering persists along the [100] direction, again observed at q$^𝑎_1$ = (0.29,0,0) and $𝑇^𝑐_1$. These findings suggest that the 𝑎−CDW is fully suppressed for 𝑥 ≥ 0.02, and that the residual diffuse scattering at originates from the partial phonon softening associated with the 𝑐−CDW, reflected by the near equality of the absolute size of q$^𝑐_1$ and q$^𝑎_1$.

Maity, Avishek [Technische Univ. München, Garching↗
DOE OSTI2019

Crossover between Electron-Phonon and Boundary-Resistance Limits to Thermal Relaxation in Copper Films

We observe a crossover from electron-phonon (e-ph) coupling limited energy relaxation to that governed by thermal boundary resistance (phonon-phonon coupling, ph-ph) in copper films at subkelvin temperatures. Our measurement yields a quantitative picture of heat currents, in terms of temperature dependences and magnitudes, in both e-ph and pp limited regimes, respectively. We show that by adding a third layer in between the copper film and the substrate, the thermal boundary resistance is increased fourfold, consistent with an assumed series connection of thermal resistances.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Phonon dispersion of Mo-stabilized γ -U measured using inelastic x-ray scattering

We have measured the room-temperature phonon spectrum of Mo-stabilized γ–U. The dispersion curves show unusual softening near the H point, q = [1/2,1/2,1/2], which may derive from the metastability of the γ–U phase or from strong electron-phonon coupling. Near the zone center, the dispersion curves agree well with theory, though significant differences are observed away from the zone center. The experimental phonon density of states is shifted to higher energy compared to theory and high-temperature neutron scattering. As a result, the elastic constants of γ-UMo are similar to those of body-centered cubic elemental metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗