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Results for “Debye Model”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Investigation of the Mechanical Properties of GdBa{sub 2}Cu{sub 3}O{sub 7−δ} Added with Nanosized Ferrites ZnFe{sub 2}O{sub 4} and CoFe{sub 2}O{sub 4} Using Ultrasonic Measurement

Recently, there is much interest in studying the effect of nanosized ferrites addition on high- T{sub c} superconductors. However, little information is available on the mechanical properties. We have investigated the effect of (CoFe{sub 2}O{sub 4}){sub x} and (ZnFe{sub 2}O{sub 4}){sub x} nanosized ferrites with 0.01 ≤ x ≤ 0.40 on the mechanical properties of the high- T{sub c} superconducting compound GdBa{sub 2}Cu{sub 3}O{sub 7−δ} (Gd-123) prepared by the conventional solid-state reaction technique. Elastic parameters including shear modulus (G), bulk modulus (B), and Young’s modulus (E) of all samples were inspected using ultrasonic measurements and compared with Vickers microhardness results. Furthermore, the porosity of the samples was investigated and correlated to Young’s modulus, which was corrected to zero porosity using different models. The corrected values were correlated with Vickers microhardness. Moreover, the Debye temperature (θ{sub D}) and the electron-phonon coupling factor (λ) were also determined as a function of x. We observed that the different nanoparticles addition has influenced the Gd-123 compound differently. For (ZnFe{sub 2}O{sub 4}){sub x} added samples, the mechanical properties and Debye temperature improved up to x = 0.06, then deteriorated with further addition. However, (CoFe{sub 2}O{sub 4}){sub x} addition improved the mechanical properties for all samples with x up to 0.40. We found that the proportionality constant between the corrected values of E and H{sub v} and G and H{sub v} are strongly dependent on the porosity corrections and the kind of superconducting material. This indicates that the widely used formula E = 81.96 H{sub v} may not be valid for all types of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Extracting forces from noisy dynamics in dusty plasmas

Extracting environmental forces from noisy data is a common yet challenging task in complex physical systems. Machine learning (ML) represents a robust approach to this problem, yet is mostly tested on simulated data with known parameters. Here we use supervised ML to extract the electrostatic, dissipative, and stochastic forces acting on micron-sized charged particles levitated in an argon plasma (dusty plasma). By tracking the sub-pixel motion of particles in subsequent images, we successfully estimated these forces from their random motion. The experiments contained important sources of non-Gaussian noise, such as drift and pixel-locking, representing a data mismatch from methods used to analyze simulated data with purely Gaussian noise. Our model was trained on simulated particle trajectories that included all of these artifacts, and used more than 100 dynamical and statistical features, resulting in a prediction with 50\% better accuracy than conventional methods. Lastly, in systems with two interacting particles, the model provided non-contact measurements of the particle charge and Debye length in the plasma environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Sheath collapse at critical shallow angle due to kinetic effects

The Debye sheath is known to vanish completely in magnetised plasmas for a sufficiently small electron gyroradius and small angle between the magnetic field and the wall. This angle depends on the current onto the wall. When the Debye sheath vanishes, there is still a potential drop between the wall and the plasma across the magnetic presheath. The magnetic field angle corresponding to the predicted sheath collapse is shown to be much smaller than previous estimates, scaling with the electron-ion mass ratio and not with the square root of the mass ratio. This is shown to be a consequence of the kinetic electron and finite ion orbit width effects, which are not captured by fluid models. The wall potential with respect to the bulk plasma at which the Debye sheath vanishes is calculated. Above this wall potential, it is possible that the Debye sheath will invert.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Relativistic Coulomb screening in pulsational pair instability supernovae

Pulsational pair-instability supernovae (PPISNe) and pair instability supernovae (PISNe) are the result of a thermonuclear runaway in the presence of a background electron-positron pair plasma. As such, their evolution and resultant black hole masses could possibly be affected by screening corrections due to the electron pair plasma. The sensitivity of PISNe and PPISNe to relativistic weak screening has been explored. In this paper a weak screening model that includes effects from relativistic pair production has been developed and applied at temperatures approaching and exceeding the threshold for pair production. This screening model replaces “classical” screening commonly used in astrophysics. Modifications to the weak screening electron Debye length were incorporated in a computationally tractable analytic form. In PPISNe the BH masses were found to increase somewhat at high temperatures, though this increase is small. The BH collapse is also found to occur at earlier times, and the pulsational morphology also changes. In addition to the resultant BH mass, the sensitivity to the screening model of the pulsational period, the pulse structure, the PPISN-to-PISN transition, and the shift in the BH mass gap has been analyzed. The dependence of the composition of the ejected mass was also examined.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Advanced surrogate model for electron-scale turbulence in tokamak pedestals

We derive an advanced surrogate model for predicting turbulent transport at the edge of tokamaks driven by electron temperature gradient (ETG) modes. Our derivation is based on a recently developed sensitivity-driven sparse grid interpolation approach for uncertainty quantification and sensitivity analysis at scale, which informs the set of parameters that define the surrogate model as a scaling law. Our model reveals that ETG-driven electron heat flux is influenced by the safety factor q, electron beta β e and normalized electron Debye length λ D , in addition to well-established parameters such as the electron temperature and density gradients. To assess the trustworthiness of our model's predictions beyond training, we compute prediction intervals using bootstrapping. The surrogate model's predictive power is tested across a wide range of parameter values, including within-distribution testing parameters (to verify our model) as well as out-of-bounds and out-of-distribution testing (to validate the proposed model). Overall, validation efforts show that our model competes well with, or can even outperform, existing scaling laws in predicting ETG-driven transport.

fusion plasma↗
DOE OSTI2019

Local atomic structure and lattice defect analysis in heavily Co-doped ZnS thin films using X-ray absorption fine structure spectroscopy

Iin this work, X-ray absorption fine structure (XAFS) spectroscopy was used to address both the local atomic structure and the local electronic structure around Zn, Co, and S in Co-doped ZnS thin films. X-ray absorption near-edge spectroscopy (XANES) revealed changes in the strong pre-edge feature of the S K-edge spectra that depend on the Co concentration and are related to atomic bound-state transitions through hybridization between $3d$ transition metal and $sp$ host semiconductor electronic states. These changes reveal intrinsic effects, such as S vacancies and dopant effects. From the Co K-edge XANES spectra, substitution of Co 2+ into ZnS is observed. The local atomic structure around the dopant, obtained by XAFS spectroscopy, indicates a reduction of the Co–S bond length. Optical analysis shows deep absorption centers or intermediate states in the bandgap, ascribed to $d$-$d$ transitions in the Co atoms that modify the electronic band structure and cause a decrease in the bandgap as a function of Co concentration. This work provides direct evidence of dopant effects in heavily Co-doped ZnS, including bond distances and Debye-Waller factors, providing key elements to generate a realistic atomic structural model, which is crucial to understand the observed electronic properties of this material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Accuracy of RGD approximation for computing light scattering properties of diffusing and motile bacteria

The study tests the accuracy of the Rayleigh-Gans-Debye (RGD) approximation against a rigorous scattering theory calculation for a simplified model of E. coli (about 1 micron in size) - a solid spheroid. A general procedure is formulated whereby the scattered field amplitude correlation function, for both polarized and depolarized contributions, can be computed for a collection of particles. An explicit formula is presented for the scattered intensity, both polarized and depolarized, for a collection of randomly diffusing or moving particles. Two specific cases for the intermediate scattering functions are considered: diffusing particles and freely moving particles with a Maxwellian speed distribution. The formalism is applied to microorganisms suspended in a liquid medium. Sensitivity studies revealed that for values of the relative index of refraction greater than 1.03, RGD could be in serious error in computing the intensity as well as correlation functions.

Kottarchyk, M.↗
NASA NTRS2017

Flowing Plasma Interaction with an Electric Sail Tether Element

Electric sails are a relatively new concept for providing high speed propellant-less propulsion. Employing multiple tethers biased to high positive voltage levels (kV), electric sails are designed to gain momentum from the solar wind by repelling solar wind protons. To maximize the area of the sail that interacts with the solar wind, electric sails rely on the formation of a large plasma sheath around each small diameter tether. Motivated by interest in advancing the development of electric sails, a set of laboratory tests has been conducted to study the interaction of a drifting plasma with a sheath formed around a small diameter tether element biased at positive voltages. The laboratory test setup was created with Debye length scaling in mind to offer a path to extrapolate (via modeling) to full scale electric sail missions. Using an instrument known as a Differential Ion Flux Probe (DIFP) the interaction between a positively biased tether element and a drifting plasma has been measured for several scenarios. Clear evidence of the tether element sheath deflecting ions has been obtained. Maps of the flow angle downstream from the tether element have been made and they show the influence of the plasma sheath. Finally, electron current collection measurements have been made for a wide range of plasma conditions and tether element bias voltages. The electron collection data will have an impact on electric sail power requirements, as high voltage power supplies and electron guns will have to be sized to accommodate the electron currents collected by each tether.

Schneider, Todd↗
DOE OSTI2026

Verification of an energy-conserving semi-implicit electrostatic particle-in-cell scheme for modeling high-density plasma at scale

A verification study of a semi-implicit energy-conserving electrostatic particle-in-cell algorithm is presented. The algorithm relaxes the time-step and mesh-size constraints that require resolution of the plasma period and Debye length associated with traditional explicit momentum-conserving particle-in-cell algorithms. Physical implications and applicability of using the semi-implicit scheme for modeling high-density plasmas are discussed. Where possible, numerical results are compared against analytical solutions. The simulation results indicate that the algorithm is stable at time steps larger than twice the inverse plasma frequency and cell sizes larger than the Debye length. It is found that the algorithm gives adequate results, provided that the distribution function and the spatiotemporal scales dictating the physics of the problem are resolved. As such, the algorithm may provide a robust method for kinetic modeling of high-density plasmas at scale.

Cyclotron resonance↗
DOE OSTI2026

Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects

Simulations of optical spectra can provide key insights to aid experimental interpretation of electronic excitation phenomena. For chromophores in the condensed phase, these spectra, which incorporate the coupling between electronic excitation and molecular and solvent nuclear motions, can be simulated using excitation energies obtained from molecular dynamics simulations of the chromophore and solvent. Here, we present a hybrid scheme that exploits machine learning and physically informed spectral densities to show that as few as 25 ground and excited state energetic gradient calculations can be used to construct models that accurately predict environment-influenced vibronic coupling in optical spectra. We demonstrate our approach for the green fluorescent protein chromophore in water and the cresyl violet chromophore in methanol. We show that our hybrid approach, employing a machine learning model for the high-frequency spectral density and an ab initio parameterized Debye spectral density for the low-frequency, results in a systematic improvement of the optical absorption lineshape, leading to a simple machine learning scheme that can be used for the simulation of spectral densities and optical spectra.

Snider, Andrew [Univ. of California, Merced, CA (U↗
NASA NTRS1979

Two-dimensional potential double layers and discrete auroras

This paper is concerned with the formation of the acceleration region for electrons which produce the visible auroral arc and with the formation of the inverted V precipitation region. The former is embedded in the latter, and both are associated with field-aligned current sheets carried by plasma sheet electrons. It is shown that an electron current sheet driven from the plasma sheet into the ionosphere leads to the formation of a two-dimensional potential double layer. For a current sheet of a thickness less than the proton gyrodiameter solutions are obtained in which the field-aligned potential drop is distributed over a length much greater than the Debye length. For a current sheet of a thickness much greater than the proton gyrodiameter solutions are obtained in which the potential drop is confined to a distance on the order of the Debye length. The electric field in the two-dimensional double-layer model is the zeroth-order field inherent to the current sheet configuration, in contrast to those models in which the electric field is attributed to the first-order field due to current instabilities or turbulences. The maximum potential in the two-dimensional double-layer models is on the order of the thermal energy of plasma sheet protons, which ranges from 1 to 10 keV.

Kan, J. R.↗
NASA NTRS1986

The electrostatics of a dusty plasma

The potential distribution in a plasma containing dust grains were derived where the Debye length can be larger or smaller than the average intergrain spacing. Three models were treated for the grain-plasma system, with the assumption that the system of dust and plasma is charge-neutral: a permeable grain model, an impermeable grain model, and a capacitor model that does not require the nearest neighbor approximation of the other two models. A gauge-invariant form of Poisson's equation was used which is linearized about the average potential in the system. The charging currents to a grain are functions of the difference between the grain potential and this average potential. Expressions were obtained for the equilibrium potential of the grain and for the gauge-invariant capacitance between the grain and the plasma. The charge on a grain is determined by the product of this capacitance and the grain-plasma potential difference.

Whipple, E. C.↗
NASA NTRS2001

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

The properties of nano-crystalline materials are critically dependent on the structure of the constituent grains. Experimental conditions necessary to perform structural analysis of nanocrystalline materials as a two-phase core-surface shell system are discussed. It is shown, that a standard X-ray diffraction measurements and analysis are insufficient and may lead to incorrect conclusions as to the real structure of the materials. A new method of evaluation of powder diffraction data based on the analysis of the shift of the Bragg reflections from their perfect-lattice positions was developed. "Apparent lattice parameters" quantity, alp, was introduced and calculated from the actual positions of each individual Bragg reflection. The alp values plotted versus diffraction vector (Q) show characteristic features that are used for evaluation of the experimental results. The study was based on modeling of nano-grains and simulations of theoretical intensity profiles using the Debye functions. The method was applied to the analysis of synchrotron X-ray diffraction data of GaN and SiC nanocrystals. A presence of strained surface shell and a considerable internal pressure (GaN) in the nanoparticles was concluded.

Palosz, W.↗
DOE OSTI2018

Vibrational, Elastic Properties and Sound Velocities of MgTi{sub 2}O{sub 4} Spinel

Zone-centre phonon frequencies, elastic properties and sound velocities along high-symmetry directions and Debye temperature of MgTi{sub 2}O{sub 4} spinel is calculated using rigid ion model. The interatomic interactions up to third nearest neighbours are also calculated. The main results of the present paper reveals that the tetrahedral bonding is stronger than the octahedral bonding. Calculated results are compared with previously available experimental and theoretical data. It is observed that the obtained results are in good agreement with the available results in literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

H2OI95: A Stand-Alone Fortran Code for Evaluating the IAPWS-95 Equation-of-State Model for Water (Rev. 1)

H2OI95 is a stand-alone Fortran code for evaluating the IAPWS-95 equation-of-state model for the thermodynamic properties of water. It also evaluates the corresponding thermochemical properties of water consistent with the CODATA recommendations. The IAPWS-95 model is based on a model equation for the dimensionless Helmholtz energy for which the primary variables are the inverse reduced temperature (τ = T cr /T ) and reduced density (δ = ρ/ρ cr ). Here T is the absolute temperature (K), ρ is density (kg/m³), and the subscript “ cr ” refers to the critical point of water (647.096 K and 22.064 MPa pressure in this model, for which ρ cr is 322 kg/m³). The code solves four basic types of problems, distinguished by the specified inputs: 1. Temperature (K) and density (ρ kg/m³) or reduced density (δ) 2. Temperature (K) and pressure (MPa). 3. Temperature (K) on the saturation (liquid-vapor equilibrium) curve 4. Pressure (MPa) on the saturation curve. Each type of problem is run using a corresponding input (text) file. All but the first type of problem require iteration. For example, to solve for desired temperature and pressure, the reduced density must be adjusted to give the desired pressure. Iteration is accomplished using the Newton-Raphson method, though the secant method is also used in solving the fourth type of problem. For the last three types of problems, H2OI95 has been used to conduct numerical studies of convergence and the problem of multiple numerical solutions, some of which are not physically valid. Obtaining valid results depends mainly on appropriate choice of starting values for the density. The default values used in H2OI95 appear to consistently lead to generally desired results. With modification (not addressed here), H2OI95 can be used to support SUPCRT92 and similar codes that compute chemical thermodynamic properties of species and reactions over a wide range of temperature and pressure (273.16-1273K and 0-1000 MPa). Version 1.1 of this software calculates an extended set of water properties, including some derivable solely from IAPWS-95, such as the isobaric thermal expansivity and the isothermal compressibility, and still other properties based on supplementary models sanctioned by IAPWS, including the dynamic viscosity, thermal conductivity, surface tension, and static dielectric constant, and various other properties (notably Debye-Hückel parameters) derivable from the dielectric constant and its partial derivatives with respect to temperature and pressure. A coding error in Version 1.0 was identified while testing the implementation of the viscosity model. This error is described in Appendix C. It mainly affects calculation of “higher order” properties such as compressibility and heat capacity near the critical point.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2022

Model for Dielectric Constant of Seawater based on L-band Measurements with Conductivity by Definition

This article reports an improvement in the model for the dielectric constant of seawater used to fit laboratory measurements of the dielectric constant at the L-band. The new model (dielectric constant as a function of salinity, temperature, and frequency) is based on the response of a polar molecule proposed by Debye and fits the same measurement as reported in earlier work but uses a functional form for conductivity, σ(S,T) , that is given by the definition of salinity. The new version of this model fits the data well and has the advantages that the relaxation time constant is allowed to be a function of temperature and salinity and is well behaved when extrapolated to high salinities.

L-band↗
DOE OSTI2020

Size- and Temperature-Dependent Suppression of Phonon Thermal Conductivity in Carbon Nanotube Thermoelectric Films

Heat transport in nanoscale carbon materials such as carbon nanotubes and graphene is normally dominated by phonons. Here, measurements of in-plane thermal conductivity, electrical conductivity, and thermopower are presented from 77–350 K on two films with thickness <100 nm formed from semiconducting single-walled carbon nanotubes. These measurements are made with silicon–nitride membrane thermal isolation platforms. The two films, formed from disordered networks of tubes with differing tube and bundle size, have very different thermal conductivity. One film matches a simple model of heat conduction assuming constant phonon velocity and mean free path, and 3D Debye heat capacity with a Debye temperature of 770 K. The second film shows a more complicated temperature dependence, with a dramatic drop in a relatively narrow window near 200 K where phonon contributions to thermal conductivity essentially vanish. This causes a corresponding large increase in thermoelectric figure-of-merit at the same temperature. A better understanding of this behavior can allow significant improvement in thermoelectric efficiency of these low-cost earth-abundant, organic electronic materials. Finally, heat and charge conductivity near room temperature is also presented as a function of doping, which provides further information on the interaction of dopant molecules and phonon transport in disordered nanotube films.

36 MATERIALS SCIENCE↗