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At least 289 records · Page 16

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Simulating dielectric spectra: A demonstration of the direct electric field method and a new model for the nonlinear dielectric response

Here we demonstrate a method to compute the dielectric spectra of fluids in molecular dynamics (MD) by directly applying electric fields to the simulation. We obtain spectra from MD simulations with low magnitude electric fields (≈0.01 V/Å) in agreement with spectra from the fluctuation–dissipation method for water and acetonitrile. We examine this method’s trade-off between noise at low field magnitudes and the nonlinearity of the response at higher field magnitudes. We then apply the Booth equation to describe the nonlinear response of both fluids at low frequency (0.1 GHz) and high field magnitude (up to 0.5 V/Å). We develop a model of the frequency-dependent nonlinear response by combining the Booth description of the static nonlinear dielectric response of fluids with the frequency-dependent linear dielectric response of the Debye model. We find good agreement between our model and the MD simulations of the nonlinear dielectric response for both acetonitrile and water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Rotordynamic forces in labyrinth seals: Theory and experiment

A theoretical and experimental investigation of the aerodynamic forces generated by a single gland labyrinth seal executing a simultaneous spinning/whirling motion has been conducted. A lumped parameter model for a single gland seal with coupling to an upstream cavity with leakage is developed along with an appropriate solution technique. From this theory, it is shown that the presence of the upstream cavity can, in some cases, augment the cross-stiffness and direct damping by a factor of four. The parameters that govern the coupling are presented along with predictions on their influence. A simple uncoupled model is used to identify the mechanisms responsible for cross force generation. This reduced system is nondimensionalized and the physical significance of the reduced parameters is discussed. Closed form algebraic formulas are given for some simple limiting cases. It is also shown that the total cross-force predicted by the uncoupled model can be represented as the sum of an ideal component due to an inviscid flow with entry swirl and a viscous part due to the change in swirl created by friction inside the gland. The frequency dependent ideal part is solely responsible for the rotordynamic direct damping. The facility designed and built to measure these frequency dependent forces is described. Experimental data confirm the validity and usefulness of this ideal/viscous decomposition. A method for calculating the damping coefficients based on the force decomposition using only the static measurements is presented. Experimental results supporting the predicted cross force augmentation due to the effect of upstream coupling are presented.

Millsaps, Knox T.↗

DOE OSTI2023

Scattering of phonons by edge dislocation and thermal conductivity of nanocrystalline silicon

For this work, the temperature dependent thermal conductivity of nanocrystalline silicon with the grain size of 500 nm, 144 nm, and 76 nm, was calculated based on the intrinsic phonon properties using a first-principles-based method and recent analytical theory of phonon-dislocation scattering. The results demonstrate, in the nanocrystalline silicon, that the low temperature (T) limit of thermal conductivity is directly proportional to T 2 instead of the conventional Casimir limit of T 3 . Calculated frequency-dependent scattering rates also indicate regimes of dominant scattering mechanisms: frequency-independent boundary scattering dominates in the very low phonon frequency regime of less than 0.6 THz; frequency-dependent boundary scattering dominates in the intermediate phonon frequency regime between 0.6 and 6 THz; and Umklapp scattering dominates in the high phonon frequency regime beyond 6 THz. The thermal conductivity is linear proportional to nanograin size in the region of d < 100nm and it shows independence at d > 1μm. This work proves the importance of dislocation-phonon scattering to thermal conductivity when the size of nanograins is small or at low temperature.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Preliminary investigation of an electrical network model for ultrasonic scattering

The behavior of acoustic attenuation in a solid is related to the electrical transmission line model where the electrical shunt conductance, which is frequency dependent, represents the loss due to the scattering sites in the solid. Results indicate that the absolute value of attenuation at a given frequency depends on both the normalized mean square deviation of the density and bulk modulus of the scattering sites from the ambient medium and the spatial scattering correlation function. Besides establishing the absolute value of attenuation, the spatial correlation function determines the attenuation profile as a function of frequency.

Maisel, J. E.↗

DOE OSTI2015

Mapping power-law rheology of living cells using multi-frequency force modulation atomic force microscopy

We present multi-frequency force modulation atomic force microscopy (AFM) for mapping the complex shear modulus G* of living cells as a function of frequency over the range of 50–500 Hz in the same measurement time as the single-frequency force modulation measurement. The AFM technique enables us to reconstruct image maps of rheological parameters, which exhibit a frequency-dependent power-law behavior with respect to G{sup *}. These quantitative rheological measurements reveal a large spatial variation in G* in this frequency range for single cells. Moreover, we find that the reconstructed images of the power-law rheological parameters are much different from those obtained in force-curve or single-frequency force modulation measurements. This indicates that the former provide information about intracellular mechanical structures of the cells that are usually not resolved with the conventional force measurement methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Ultrahigh sensitive sub-terahertz detection by InP-based asymmetric dual-grating-gate high-electron-mobility transistors and their broadband characteristics

We report on room-temperature plasmonic detection of sub-terahertz radiation by InAlAs/InGaAs/InP high electron mobility transistors with an asymmetric dual-grating-gate structure. Maximum responsivities of 22.7 kV/W at 200 GHz and 21.5 kV/W at 292 GHz were achieved under unbiased drain-to-source condition. The minimum noise equivalent power was estimated to be 0.48 pW/Hz{sup 0.5} at 200 GHz at room temperature, which is the record-breaking value ever reported for plasmonic THz detectors. Frequency dependence of the responsivity in the frequency range of 0.2–2 THz is in good agreement with the theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Periodically sheared 2D Yukawa systems

We present non-equilibrium molecular dynamics simulation studies on the dynamic (complex) shear viscosity of a 2D Yukawa system. We have identified a non-monotonic frequency dependence of the viscosity at high frequencies and shear rates, an energy absorption maximum (local resonance) at the Einstein frequency of the system at medium shear rates, an enhanced collective wave activity, when the excitation is near the plateau frequency of the longitudinal wave dispersion, and the emergence of significant configurational anisotropy at small frequencies and high shear rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Quantum critical point revisited by dynamical mean-field theory

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

A trajectory mechanics approach for the study of wave propagation in an anisotropic elastic medium

In this work, we derive equations describing the path and traveltime of a coherent elastic wave propagating in an anisotropic medium, generalizing expressions from conventional high-frequency asymptotic ray theory. The methodology is valid across a broad range of frequencies and allows for subwavelength variations in the material properties of the medium. The primary difference from current ray methods is the retention of a term that is neglected in the derivation of the eikonal equation. The additional term contains spatial derivatives of the properties of the medium and of the amplitude field, and its presence couples the equations governing the evolution of the amplitude and phase along the trajectory. The magnitude of this term provides a measure of the validity of expressions based upon high-frequency asymptotic methods, such as the eikonal equation, when modelling wave propagation dominated by a band of frequencies. In calculations involving a layer with gradational boundaries, we find that asymptotic estimates do deviate from those of our frequency-dependent approach when the width of the layer boundaries become sufficiently narrow. For example, for a layer with boundaries that vary over tens of meters, the term neglected by a high-frequency asymptotic approximation is significant for frequencies around 10 Hz. The visible differences in the paths of the rays that traverse the layer substantiate this conclusion. For a velocity model derived from an observed well log, the majority of the trajectories calculated using the extended approach, accounting for the frequency-dependence of the rays, are noticeably different from those produced by the eikonal equation. A suite of paths from a source to a specified receiver, calculated for a range of frequencies between 10 and 100 Hz, define a region of sensitivity to velocity variations and may be used for an augmented form of tomographic imaging.

58 GEOSCIENCES↗

DOE OSTI2013

High frequency alternating current chip nano calorimeter with laser heating

Heat capacity spectroscopy at frequencies up to 100 kHz is commonly performed by thermal effusivity measurements applying the 3ω-technique. Here we show that AC-calorimetry using a thin film chip sensor allows for the measurement of frequency dependent heat capacity in the thin film limit up to about 1 MHz. Using films thinner than the thermal length of the thermal wave (∼1 μm) at such frequencies is advantageous because it provides heat capacity alone and not in combination with other quantities like thermal conductivity, at least on a qualitative basis. The used calorimetric sensor and the sample are each less than 1 μm thick. For high frequency AC-calorimetry, high cooling rates at very small temperature differences are required. This is realized by minimizing the heated spot to the size of the on chip thermocouple (3 × 6 μm{sup 2}). A modulated laser beam shaped and positioned by a glass fiber is used as the heat source. The device was used to measure the complex heat capacity in the vicinity of the dynamic glass transition (structural relaxation) of poly(methyl methacrylate). Combining different calorimeters finally provides data between 10{sup −3} Hz and 10{sup 6} Hz. In this frequency range the dynamic glass transition shifts about 120 K.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Dynamic mechanical analysis of phase transformations and anelastic relaxation in stabilized Zirconias

Elastic properties of polycrystalline stabilized zirconias, namely Yttria Stabilized Zirconia (YSZ) and Scandia, Ceria Stabilized Zirconia (SCSZ), were studied by Dynamic Mechanical Analyzer (DMA) in air. Changes of storage modulus E', loss modulus E" and mechanical damping (tanδ) with temperature were simultaneously monitored at various frequencies. In 8 mol% (8YSZ) and 10 mol% (10YSZ) Yttria Stabilized Zirconia, a drop in storage modulus of ~37% was observed in the 30°C to 400°C temperature range, together with two frequency dependent damping peaks. While the first tanδ peak can be attributed to the anelastic relaxation of (Y'ZrVO••)• elastic (and dielectric) dipoles, the second one is probably the result of local ordering of oxygen vacancies and/or relaxation of (2Y'ZrVO••)x dipoles. For cubic SCSZ, four damping peaks were observed in the similar temperature regime accompanied by significant nonlinear drop of the storage modulus. The first tanδ is attributed to anealstic relaxation of (Sc'ZrVO••)•. Furthermore, it was also found that stress induced phase transformation from cubic to rhombohedral structure is the reason for the frequency dependent third peak in the tanδ spectra while the fourth frequency independent peak was found to be the result of the phase transformation from rhombohedral to cubic structure.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Coupled Dirac Plasmons in Topological Insulators

Topological insulators are predicted to house spin-polarized two-dimensional Dirac plasmons. In topological insulator thin films, Dirac plasmons on the top and bottom surfaces will be coupled, giving rise to an unusual dispersion relationship. These plasmons are of interest both for fundamental science as well as applications in THz sensing and waveguiding. In this article, we present conclusive evidence for coupled Dirac plasmons excited in the surface states of topological insulator thin film stripe arrays by investigating how the plasmon frequency depends on both film thickness and stripe width. Bi 2 Se 3 films of thickness 50-200nm are patterned into periodic stripes of width 1-4μm to excite plasmons. The plasmon frequency dependence on both film thickness and stripe width is found to be in good agreement with theoretical models for couple 2D Dirac plasmons. Alternative explanations such as 2D massive plasmons are shown to be inconstant with data. Finally, effective mode indexes of up to 211 are reported, demonstrating incredible confinement of light in the THz frequency range.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Corrected Implicit Monte Carlo

Here in this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle for frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. Finally, we present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

The fragile-to-strong dynamical crossover and the system viscoelasticity in attractive glass forming colloids

The dynamical arrest phenomena of an adhesive hard-sphere (AHS) colloid, L64-D 2O system has been investigated by using calorimetry and the complex shear modulus. This system is characterized by a rich temperature (T) and volume fraction ($\phi$) phase diagram with a percolation line (PT). According to the mode-coupling theory (MCT), a cusp-like singularity and two glassy phases, one attractive (AG) and one repulsive (RG), are supposed to coexist in the phase diagram. The MCT scaling laws used to study the shear viscosity with $\phi$ and T as control parameters propose the existence of fragile-to-strong dynamic crossover (FSDC) analogous to that observed in molecular supercooled liquid glass formers. The measured critical values of the control parameters, coincident with the PT line, where the clustering process generates the AG phase, define the FSDC locus. This is in agreement with the extended mode-coupling theory that takes into account both cage and inter-cluster hopping effects. Here, we demonstrate, by considering the frequency dependence of the complex moduli, that there is the onset of a system viscoelasticity as an effect of the clustering accompanying the FSDC. We will reveal as the measured frequency-dependent complex moduli satisfy the scaling relations predicted by the scalar elasticity percolation theory and well account for the system evolution toward the glass transition process.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Measurement of minority carrier lifetimes and surface recombination velocities in solar cells

A generic comparison has been carried out of all methods for recombination parameter determination that are based on measurement of a current and/or voltage in either steady-state, transient, or frequency-dependent approaches. The theoretical background for the time-dependent methods has been extended from prior work to include drift fields and be applicable to compound (multilayered) regions. The key findings were: (1) all methods have essentially the same limitations to determination of only the dominant recombination parameters; (2) open-circuit measurements have more sensitivity to the recombination parameters than short circuit measurements, but they present much more difficulty in eliminating spurious effects; (3) transient and frequency-dependent methods have exactly the same expressions for the relaxation constants and the breakpoint frequencies; and (4) in compound regions there exists only one set of relaxation constants for all the coupled layers. These constants include all relevant parameters of these layers. It is thus difficult to separate these parameters in time- or frequency-domain measurements. ASLBIC seems still to be the most suitable method for determination of emitter parameters.

Wolf, M.↗

NASA NTRS2005

Temperature-dependent optical properties of Cd(1-x),Zn(x),Te substitute material

In this study, we report cryogenic optical properties of Cd(l-x), Zn(x), Te wafers that are used as substrate seed layers in the manufacturing of HgCdTe focal-plane array detectors. These studies are motivated by the fact that the substrate optical properties influence the overall detector performance. The studies consist of measuring the substrate frequency dependent transmittance T(W) and reflectance R(W) above and below the optical band-gap in the UV/Visible and infrared frequency ranges, and with temperature variation of the sample from 5 to 300 K. Determination of the optical absorption from these measurements show that the optical absorption energy gap near 1.6 eV shows a substantial increase as the temperature is reduced from 300 to 5 K. Furthermore, we observe the presence of infrared-active optical phonons whose peak frequency shifts as the temperature of the sample is varied over the measured temperature range. The theoretical frequency dependent optical conductivity, with allowance for redistribution of spectral weight among the interband transition charge carriers, will be discussed.

Quijada, Manuel A.↗

NASA NTRS1979

Deviations from LTE in a stellar atmosphere

Deviations for LTE are investigated in an atmosphere of hydrogen atoms with one bound level, satisfying the equations of radiative, hydrostatic, and statistical equilibrium. The departure coefficient and the kinetic temperature as functions of the frequency dependence of the radiative cross section are studied analytically and numerically. Near the outer boundary of the atmosphere, the departure coefficient is smaller than unity when the radiative cross section grows with frequency faster than with the square of frequency; it exceeds unity otherwise. Far from the boundary the departure coefficient tends to exceed unity for any frequency dependence of the radiative cross section. Overpopulation always implies that the kinetic temperature in the statistical-equilibrium atmosphere is higher than the temperature in the corresponding LTE atmosphere. Upper and lower bounds on the kinetic temperature are given for an atmosphere with deviations from LTE only in the optically shallow layers when the emergent intensity can be described by a radiation temperature.

Kalkofen, W.↗

NASA NTRS2010

Vibration Response Predictions for Heavy Panel Mounted Components from Panel Acreage Environment Specifications

The development of new launch vehicles in the Aerospace industry often relies on response measurements taken from previously developed vehicles during various stages of liftoff and ascent, and from wind tunnel models. These measurements include sound pressure levels, dynamic pressures in turbulent boundary layers and accelerations. Rigorous statistical scaling methods are applied to the data to derive new environments and estimate the performance of new skin panel structures. Scaling methods have proven to be reliable, particularly for designs similar to the vehicles used as the basis for scaling, and especially in regions of smooth acreage without exterior protuberances or heavy components mounted to the panel. To account for response attenuation of a panel-mounted component due to its apparent mass at higher frequencies, the vibroacoustics engineer often reduces the acreage vibration according to a weight ratio first suggested by Barrett. The accuracy of the reduction is reduced with increased weight of the panel-mounted component, and does not account for low-frequency amplification of the component/panel response as a system. A method is proposed that combines acreage vibration from scaling methods with finite element analysis to account for the frequency-dependent dynamics of heavy panel-mounted components. Since the acreage and mass-loaded skins respond to the same dynamic input pressure, such pressure may be eliminated in favor of a frequency-dependent scaling function applied to the acreage vibration to predict the mass-loaded panel response. The scaling function replaces the Barrett weight ratio, and contains all of the dynamic character of the loaded and unloaded skin panels. The solution simplifies for spatially uncorrelated and fully correlated input pressures. Since the prediction uses finite element models of the loaded and unloaded skins, a rich suite of response data are available to the design engineer, including interface forces, stress and strain, as well as acceleration and displacement. An extension of the method is also developed to incorporate the effect of a local protuberance near a heavy component. Acreage environments from traditional scaling methods with and without protuberance effects serve as the basis for the extension. Authors:

Harrison, Phillip↗