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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Tunable and angle-insensitive plasmon resonances in graphene ribbon arrays with multispectral diffraction response

Plasmon resonances in graphene ribbon arrays are investigated numerically by means of the Finite Element Method. Numerical analysis shows that a series of multipolar resonances take place when graphene ribbon arrays are illuminated by a TM polarized electromagnetic wave. Moreover, these resonances are angle-independent, and can be tuned greatly by the width and the doping level of the graphene ribbons. Specifically, we demonstrate that for graphene arrays with several sets of graphene ribbons, which have different widths or doping levels, each of these multipolar resonances will be split into several ones. In addition, as plasmon resonances can confine electromagnetic field at the ribbon edges, graphene ribbons with different widths or doping levels offer intriguing application for electrically tunable spectral imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

The Influence of Temperature on the Cyclic Properties of the Transversely Isotropic Nanocomposite System Under Kinematic Harmonic Loading

A micromechanical model is developed to determine the effective inelastic properties of nanocomposites under monoharmonic deformation by taking into account the detailed microstructural geometries and constitutive models of the constituents. By using the correspondence principle in viscoelasticity and the modified Mori–Tanaka method, the effects of interface between the inclusion and the matrix are taken into account. By applying the developed model, we perform the numerical analysis aimed at the determination of complex moduli for a polymeric nanocomposite reinforced with nanofibers composed from carbon nanotubes under the isothermal conditions. The dependences of complex moduli on temperature and the amplitude of strain intensity are analyzed. The composites reinforced with unidirectionally aligned nanofibers are considered. The accumulated results demonstrate a strong dependence of the storage and loss moduli on temperature within a broad temperature range. The storage and loss moduli are found to monotonically increase with the volume fraction of nanofibers. At the same time, they decrease as temperature increases. The obtained results show that the strength of material decreases as temperature increases in the elastic and inelastic regions and the inelastic behavior occurs for lower strain amplitude as temperature increases.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Non-Maxwellian to Maxwellian transitions of atmospheric microplasmas at microwave frequencies

Particle-in-cell/Monte Carlo simulations and numerical analysis of a single particle motion are performed for atmospheric He microplasmas at microwave frequencies to determine the characteristics of non-Maxwellian to Maxwellian transition. The left and the right regimes of Paschen curve, divided by this transition, reveal that the transition frequencies depend on the gap of electrodes and the neutral gas pressure to follow scaling laws for a new extended Paschen law. The fluid models are reasonable at the right-side regime of Paschen breakdown areas, but not on the left side, which is highly kinetic for electrons. The plasmas driven by weaker electric fields of high enough frequencies at the right-side Paschen regime breed more energetic electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Heat transfer study on the beamline for an electron–ion collider at BNL

This study aims to calculate thermal loads that arise as a consequence of the beamline connecting the cold (2 K) region to the ambient. Heat loads are evaluated by numerical analysis and the findings are supported by analytical calculations. An active heat intercept is proposed to mitigate heat movement to the cold end. Owing to unfavorable length-to-depth ratio and large temperature differences, it is found that radiation becomes a dominant mode of heat transfer. The presence of bellows on the beamline complicates the thermal study which is heavily dependent on geometry. An analytical framework is set up to simplify the coupled conduction–radiation problem and is shown to decrease simulation times by an order of magnitude. The study finds that the total heat moving by conduction to the cold end is around 13 W and via radiation is 1.8 W. Furthermore, the active cooling circuit under present conditions has the ability to intercept between 8 - 12 W of heat.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Quantitative characterization of material surface — Application to Ni + Mo electrolytic composite coatings

A new approach to numerical analysis of maps of material surface has been proposed and discussed in detail. It was concluded that the roughness factor RF and the root mean square roughness S{sub q} show a saturation effect with increasing size of the analysed maps what allows determining the optimal map dimension representative of the examined material. A quantitative method of determining predominant direction of the surface texture based on the power spectral density function is also proposed and discussed. The elaborated method was applied in surface analysis of Ni + Mo composite coatings. It was shown that co-deposition of molybdenum particles in nickel matrix leads to an increase in surface roughness. In addition, a decrease in size of the embedded Mo particles in Ni matrix causes an increase of both the surface roughness and the surface texture. It was also stated that the relation between the roughness factor and the double layer capacitance C{sub dl} of the studied coatings is linear and allows determining the double layer capacitance of the smooth nickel electrode. - Highlights: •Optimization of the procedure for the scanning of the material surface •Quantitative determination of the surface roughness and texture intensity •Proposition of the parameter describing privileged direction of the surface texture •Determination of the double layer capacitance of the smooth electrode.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Positive column of a glow discharge in neon with charged dust grains (a review)

The effect of charged micron-size dust grains (microparticles) on the electric parameters of the positive column of a low-pressure dc glow discharge in neon has been studied experimentally and numerically. Numerical analysis is carried out in the diffusion-drift approximation with allowance for the interaction of dust grains with metastable neon atoms. In a discharge with a dust grain cloud, the longitudinal electric field increases. As the number density of dust grains in an axisymmetric cylindrical dust cloud rises, the growth of the electric field saturates. It is shown that the contribution of metastable atoms to ionization is higher in a discharge with dust grains, in spite of the quenching of metastable atoms on dust grains. The processes of charging of dust grains and the dust cloud are considered. As the number density of dust grains rises, their charge decreases, while the space charge of the dust cloud increases. The results obtained can be used in plasma technologies involving microparticles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Current-voltage characteristics of dc corona discharges in air between coaxial cylinders

This paper presents the experimental measurement and numerical analysis of the current-voltage characteristics of dc corona discharges in air between coaxial cylinders. The current-voltage characteristics for both positive and negative corona discharges were measured within a specially designed corona cage. Then the measured results were fitted by different empirical formulae and analyzed by the fluid model. The current-voltage characteristics between coaxial cylinders can be expressed as I = C(U − U{sub 0}){sup m}, where m is within the range 1.5–2.0, which is similar to the point-plane electrode system. The ionization region has no significant effect on the current-voltage characteristic under a low corona current, while it will affect the distribution for the negative corona under a high corona current. The surface onset fields and ion mobilities were emphatically discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Evolution of streamer groups in nonthermal plasma

Nonthermal plasmas (NTPs) induced by atmospheric nanosecond pulsed corona discharge have been studied for controlling pollution from combustors, such as boilers, incinerators, and diesel engines. In high-speed short-width high-voltage pulsed corona discharge-induced plasmas, primary streamer evolution is followed by secondary streamer evolution. Though this phenomenon is known experimentally, the details of the structures of the streamers and their evolution mechanisms have not been fully clarified. In this letter, we perform quasi two-dimensional numerical analysis of nonequilibrium NTP induced by a nanosecond positive pulsed corona discharge. The continuum fluid equations for two-temperature nonequilibrium NTP are used as governing equations. In this study, 197 gas phase reactions for 25 chemical species and 21 surface reactions on the inner glass wall surface are considered in an air plasma under atmospheric pressure. The simulated behavior of the streamer groups agrees with experimental observations. Soon after the voltage increases on the reactor, primary streamers are formed, which may transit the complete gap, disappearing near the peak voltage. Next, second streamers appear, disappearing at the end of the applied voltage pulse. The streamer wavelength and the distance between the streamers in the axial direction are determined. Moreover, ozone generation is shown to be more significant in the secondary streamer. This simulation will allow better predictions for nanosecond positive pulsed plasma systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Numerical simulation of systems of shear bands in ductile metal with inclusions

We develop a method for numerical simulations of high strain-rate loading of mesoscale samples of ductile metal with inclusions. Because of its small-scale inhomogeneity, the composite material is prone to localized shear deformation (adiabatic shear bands). This method employs the Generalized Method of Cells of Paley and Aboudi [Mech. Materials, vol. 14, pp. 127–139, 1992] to ensure that the micro mechanical behavior of the metal and inclusions is reflected properly in the behavior of the composite at the mesoscale. To find the effective plastic strain rate when shear bands are present, we extend and apply the analytic and numerical analysis of shear bands of Glimm, Plohr, and Sharp [Mech. Materials, vol. 24, pp. 31–41, 1996]. Our tests of the method focus on the stress/strain response in uniaxial-strain flow, both compressive and tensile, of depleted uranium metal containing silicon carbide inclusions. We use the Preston-Tonks-Wallace viscoplasticity model [J. Appl. Phys., vol. 93, pp. 211–220, 2003], which applies to the high strain-rate regime of an isotropic viscoplastic solid. In results, we verify the elevated temperature and thermal softening at shear bands in our simulations of pure DU and DU/SiC composites. We also note that in composites, due the asymmetry caused by the inclusions, shear band form at different times in different subcells. In particular, in the subcells near inclusions, shear band form much earlier than they do in pure DU.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Bayesian calibration of coarse-grained forces: Efficiently addressing transferability

Generating and calibrating forces that are transferable across a range of state-points remains a challenging task in coarse-grained (CG) molecular dynamics. In this work, we present a coarse-graining workflow, inspired by ideas from uncertainty quantification and numerical analysis, to address this problem. The key idea behind our approach is to introduce a Bayesian correction algorithm that uses functional derivatives of CG simulations to rapidly and inexpensively recalibrate initial estimates f{sub 0} of forces anchored by standard methods such as force-matching. Taking density-temperature relationships as a running example, we demonstrate that this algorithm, in concert with various interpolation schemes, can be used to efficiently compute physically reasonable force curves on a fine grid of state-points. Importantly, we show that our workflow is robust to several choices available to the modeler, including the interpolation schemes and tools used to construct f{sub 0}. In a related vein, we also demonstrate that our approach can speed up coarse-graining by reducing the number of atomistic simulations needed as inputs to standard methods for generating CG forces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Double Arc Instability in the Solar Corona

The stability of the magnetic field in the solar corona is important for understanding the causes of solar eruptions. Although various scenarios have been suggested to date, the tether-cutting reconnection scenario proposed by Moore et al. is one of the widely accepted models to explain the onset process of solar eruptions. Although the tether-cutting reconnection scenario proposes that the sigmoidal field formed by internal reconnection is the magnetic field in the pre-eruptive state, the stability of the sigmoidal field has not yet been investigated quantitatively. In this paper, in order to elucidate the stability problem of the pre-eruptive state, we developed a simple numerical analysis in which the sigmoidal field is modeled by a double arc electric current loop and its stability is analyzed. As a result, we found that the double arc loop is more easily destabilized than the axisymmetric torus, and it becomes unstable even if the external field does not decay with altitude, which is in contrast to the axisymmetric torus instability. This suggests that tether-cutting reconnection may well work as the onset mechanism of solar eruptions, and if so, the critical condition for eruption under a certain geometry may be determined by a new type of instability rather than by the torus instability. Based on them, we propose a new type of instability called double arc instability (DAI). We discuss the critical conditions for DAI and derive a new parameter κ , defined as the product of the magnetic twist and the normalized flux of the tether-cutting reconnection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Ultra-short channel GaN high electron mobility transistor-like Gunn diode with composite contact

We present a numerical analysis on an ultra-short channel AlGaN/GaN HEMT-like planar Gunn diode based on the velocity-field dependence of two-dimensional electron gas (2-DEG) channel accounting for the ballistic electron acceleration and the inter-valley transfer. In particular, we propose a Schottky-ohmic composite contact instead of traditional ohmic contact for the Gunn diode in order to significantly suppress the impact ionization at the anode side and shorten the “dead zone” at the cathode side, which is beneficial to the formation and propagation of dipole domain in the ultra-short 2-DEG channel and the promotion of conversion efficiency. The influence of the surface donor-like traps on the electron domain in the 2-DEG channel is also included in the simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modeling of diatomic molecule using the Morse potential and the Verlet algorithm

Performing molecular modeling usually uses special software for Molecular Dynamics (MD) such as: GROMACS, NAMD, JMOL etc. Molecular dynamics is a computational method to calculate the time dependent behavior of a molecular system. In this work, MATLAB was used as numerical method for a simple modeling of some diatomic molecules: HCl, H{sub 2} and O{sub 2}. MATLAB is a matrix based numerical software, in order to do numerical analysis, all the functions and equations describing properties of atoms and molecules must be developed manually in MATLAB. In this work, a Morse potential was generated to describe the bond interaction between the two atoms. In order to analyze the simultaneous motion of molecules, the Verlet Algorithm derived from Newton’s Equations of Motion (classical mechanics) was operated. Both the Morse potential and the Verlet algorithm were integrated using MATLAB to derive physical properties and the trajectory of the molecules. The data computed by MATLAB is always in the form of a matrix. To visualize it, Visualized Molecular Dynamics (VMD) was performed. Such method is useful for development and testing some types of interaction on a molecular scale. Besides, this can be very helpful for describing some basic principles of molecular interaction for educational purposes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ion firehose instability in a dusty plasma considering product-bi-kappa distributions for the plasma particles

We study the dispersion relation for low frequency waves in the whistler mode propagating along the ambient magnetic field, considering ions and electrons with product-bi-kappa (PBK) velocity distributions and taking into account the presence of a population of dust particles. The results obtained by numerical analysis of the dispersion relation show that the decrease in the κ indexes in the ion PBK distribution contributes to the increase in magnitude of the growth rates of the ion firehose instability and the size of the region in wave number space where the instability occurs. It is also shown that the decrease in the κ indexes in the electron PBK distribution contribute to decrease in the growth rates of instability, despite the fact that the instability occurs due to the anisotropy in the ion distribution function. For most of the interval of κ values which has been investigated, the ability of the non-thermal ions to increase the instability overcomes the tendency of decrease due to the non-thermal electron distribution, but for very small values of the kappa indexes the deleterious effect of the non-thermal electrons tends to overcome the effect due to the non-thermal ion distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effects of Z−Z′ mixing in double W-bosons production at the large hadron collider

The potential of the Large Hadron Collider (LHC) for searches for effects associated with Z−Z′ mixing in the hadroproduction of W{sup ±}-boson pairs is studied. The results of our numerical analysis are presented in the form of constraints obtained for the Z−Z′ mixing angle and the Z′-boson mass from the semileptonic channel of W{sup ±}-boson decay, pp → WW → lνjj + X (l = e or μ), at nominal collider energy and integrated luminosity (√s = 14 TeV and L{sub int} = 100 fb{sup −1}). The process of double W{sup ±}-boson production was found to be highly sensitive to the Z−Z′ mixing angle [|ϕ| ~ O(10{sup −3})]. Owing to this, the present-day constraints on this angle can be either improved or reproduced, depending on the choice of model. It was also shown that, upon tripling the LHC luminosity, it will become possible not only to improve the current constraints on the Z−Z′ mixing angle for all Z′ models being considered but also to reach a sensitivity level higher than that of the future lepton collider also known as International Linear Collider or ILC (0.5 TeV).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Variational multiscale element-free Galerkin method combined with the moving Kriging interpolation for solving some partial differential equations with discontinuous solutions

Solving partial differential equations with discontinuous solutions is an important challenging problem in numerical analysis. To this end, there are some methods such as finite volume method, discontinuous Galerkin approach and particle technique that are able to solve these problems. In the current paper, the moving Kriging element-free Galerkin method has been combined with the variational multiscale algorithm to obtain acceptable and high-resolution solutions. For testing this technique, we select some PDEs with discontinuous solution such as Burgers’, Sod’s shock tube, advection–reaction–diffusion, Kuramoto–Sivashinsky, Boussinesq and shallow water equations. First, we obtain a time-discrete scheme by approximating time derivative via finite difference technique. Then we introduce the moving Kriging interpolation and also obtain their shape functions. We use the element-free Galerkin method for approximating the spatial derivatives. This method uses a weak form of the considered equation that is similar to the finite element method with the difference that in the classical element-free Galerkin method test and trial functions are moving least squares approximation (MLS) shape functions. Since the shape functions of moving least squares (MLS) approximation do not have Kronecker delta property, we cannot implement the essential boundary condition, directly. Thus, we employ the shape functions of moving Kriging interpolation and radial point interpolation technique which have the mentioned property. Also, in the element-free Galekin method, we do not use any triangular, quadrangular or other type of meshes. The element-free Galerkin method is a global method while finite element method is a local one. This technique employs a background mesh for integration which makes it different from the truly mesh procedures. Several test problems are solved and numerical simulations are reported which confirm the efficiency of the proposed schemes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Temperature dependence of the Goos–Hänchen shift in the nonlinear metal-dielectric nanocomposites

In this paper the temperature-dependent Goos–Hänchen (GH) shift of the nonlinear nanocomposites made of the ellipsoidal nonlinear metal nanoparticles and ellipsoidal dielectric nanoparticles is investigated theoretically in the range of the visible wavelengths. We used the effective medium approximation in the quasi-static regime to calculate the effective permittivity of a composite (ε{sub eff}) and the stationary phase method is utilized to investigate the GH shifts. Spectral representation theory has been used to obtain the local electric field in the nonlinear metal nanoparticles. The temperature impact on the GH shift is explained by the temperature-dependent permittivity of nonlinear metal nanoparticles in the range of 300–1200 K. Our numerical analysis revealed that in addition to the magnitude of the GH shift, the lower and upper threshold of the GH bistability as a nonlinear response will be affected by a temperature increment. So that, the width of the bistability, i.e., the difference between the low and high threshold of bistability, can be tuned by temperature. It is important to note that the GH shift can be switched from positive to negative values in high temperatures for a given physical parameters. This effect can open the interesting possibility of optical switching in the considered structures. Moreover, the occurrence of optical bistability as a function of the volume fraction of nanoparticles and depolarization factor (indicating the shape of nanoparticles) are discussed. Finally, the influence of the wavelength and intensity of the incident light on the nonlinear GH shift is presented. Optimizing the results of the present work may be practically utilized in the designing of optical switching-based devices including metal-dielectric nanocomposites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Phonons, Diffusons, and the Boson Peak in Two-Dimensional Lattices with Random Bonds

Within the model of stable random matrices possessing translational invariance, a two-dimensional (on a square lattice) disordered oscillatory system with random strongly fluctuating bonds is considered. By a numerical analysis of the dynamic structure factor S(q, ω), it is shown that vibrations with frequencies below the Ioffe-Regel frequency ω{sub IR} are ordinary phonons with a linear dispersion law ω(q) ∝ q and a reciprocal lifetime δ~ q{sup 3}. Vibrations with frequencies above ω{sub IR}, although being delocalized, cannot be described by plane waves with a definite dispersion law ω(q). They are characterized by a diffusion structure factor with a reciprocal lifetime δ ~ q{sup 2}, which is typical of a diffusion process. In the literature, they are often referred to as diffusons. It is shown that, as in the three-dimensional model, the boson peak at the frequency ωb in the reduced density of vibrational states g(ω)/ω is on the order of the frequency ω{sub IR}. It is located in the transition region between phonons and diffusons and is proportional to the Young’s modulus of the lattice, ω{sub b}≃E.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗