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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Analytical evaluation of thermal conductance and heat capacities of one-dimensional material systems

We theoretically predict some thermal properties versus temperature dependence of one dimensional (1D) material nanowire systems. A known method is used to provide an efficient and reliable analytical procedure for wide temperature range. Predicted formulas are expressed in terms of Bloch-Grüneisen functions and Debye functions. Computing results has proved that the expressions are in excellent agreement with the results reported in the literature even if it is in very low dimension limits of nanowire systems. Therefore the calculation method is a fully predictive approach to calculate thermal conductivity and heat capacities of nanowire material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Disaster risk management in prospect mining area Blitar district, East Java, using microtremor analysis and ANP (analytical network processing) approach

Indonesia has a wealth of natural assets is so large to be managed and utilized, either from its own local government and local communities, especially in the mining sector. However, mining activities can change the state of the surface layer of the earth that have a high impact disaster risk. This could threaten the safety and disrupt human life, environmental damage, loss of property, and the psychological impact, sulking to the rule of law no 24 of 2007. That's why we strive to manage and minimize the risk of mine disasters in the region, how to use the method of calculation of Amplification Factor (AF) from the analysis based microtremor sulking Kanai and Nakamura, and decision systems were tested by analysis of ANP. Based on the amplification factor and Analytical Network Processing (ANP) obtained, some points showed instability in the surface layer of a mining area include the site of the TP-7, TP-8, TP-9, TP-10, (Birowo2). If in terms of structure, location indicated unstable due to have a sloping surface layer, resulting in the occurrence of landslides and earthquake risk is high. In the meantime, other areas of the mine site can be said to be a stable area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analytic studies of dispersive properties of shear Alfvén and acoustic wave spectra in tokamaks

The properties of the low frequency shear Alfvén and acoustic wave spectra in toroidal geometry are examined analytically and numerically considering wave particle interactions with magnetically trapped and circulating particles, using the theoretical model described in [I. Chavdarovski and F. Zonca, Plasma Phys. Controlled Fusion 51, 115001 (2009)] and following the framework of the generalized fishbone-like dispersion relation. Effects of trapped particles as well as diamagnetic effects on the frequencies and damping rates of the beta-induced Alfvén eigenmodes, kinetic ballooning modes and beta-induced Alfvén-acoustic eigenmodes are discussed and shown to be crucial to give a proper assessment of mode structure and stability conditions. Present results also demonstrate the mutual coupling of these various branches and suggest that frequency as well as mode polarization are crucial for their identification on the basis of experimental evidence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Scattering of electromagnetic waves by vortex density structures associated with interchange instability: Analytical and large scale plasma simulation results

The presence of plasma turbulence can strongly influence propagation properties of electromagnetic signals used for surveillance and communication. In particular, we are interested in the generation of low frequency plasma density irregularities in the form of coherent vortex structures. Interchange or flute type density irregularities in magnetized plasma are associated with Rayleigh-Taylor type instability. These types of density irregularities play an important role in refraction and scattering of high frequency electromagnetic signals propagating in the earth ionosphere, in high energy density physics, and in many other applications. We will discuss scattering of high frequency electromagnetic waves on low frequency density irregularities due to the presence of vortex density structures associated with interchange instability. We will also present particle-in-cell simulation results of electromagnetic scattering on vortex type density structures using the large scale plasma code LSP and compare them with analytical results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Analytical Morse/long-Range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: A case study of CH{sub 3}F–He

Four-dimensional ab initio intermolecular potential energy surfaces (PESs) for CH{sub 3}F–He that explicitly incorporates dependence on the Q{sub 3} stretching normal mode of the CH{sub 3}F molecule and are parametrically dependent on the other averaged intramolecular coordinates have been calculated. Analytical three-dimensional PESs for v{sub 3}(CH{sub 3}F) = 0 and 1 are obtained by least-squares fitting the vibrationally averaged potentials to the Morse/Long-Range potential function form. With the 3D PESs, we employ Lanczos algorithm to calculate rovibrational levels of the dimer system. Following some re-assignments, the predicted transition frequencies are in good agreement with experimental microwave data for ortho-CH{sub 3}F, with the root-mean-square deviation of 0.042 cm{sup −1}. We then provide the first prediction of the infrared and microwave spectra for the para-CH{sub 3}F–He dimer. The calculated infrared band origin shifts associated with the ν{sub 3} fundamental of CH{sub 3}F are 0.039 and 0.069 cm{sup −1} for para-CH{sub 3}F–He and ortho-CH{sub 3}F–He, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A semi-analytic power balance model for low (L) to high (H) mode transition power threshold

We present a semi-analytic model for low (L) to high (H) mode transition power threshold (P{sub th}). Two main assumptions are made in our study. First, high poloidal mode number drift resistive ballooning modes (high-m DRBM) are assumed to be the dominant turbulence driver in a narrow edge region near to last closed flux surface. Second, the pre-transition edge profile and turbulent diffusivity at the narrow edge region pertain to turbulent equipartition. An edge power balance relation is derived by calculating the dissipated power flux through both turbulent conduction and convection, and radiation in the edge region. P{sub th} is obtained by imposing the turbulence quench rule due to sheared E × B rotation. Evaluation of P{sub th} shows a good agreement with experimental results in existing machines. Increase of P{sub th} at low density (i.e., the existence of roll-over density in P{sub th} vs. density) is shown to originate from the longer scale length of the density profile than that of the temperature profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Three-dimensional magnetic optimization of accelerator magnets using an analytic strip model

The end design is a critical step in the design of superconducting accelerator magnets. First, the strain energy of the conductors must be minimized, which can be achieved using differential geometry. The end design also requires an optimization of the magnetic field homogeneity. A mechanical and magnetic model for the conductors, using developable strips, is described in this paper. This model can be applied to superconducting Rutherford cables, and it is particularly suitable for High Temperature Superconducting tapes. The great advantage of this approach is analytic simplifications in the field computation, allowing for very fast and accurate computations, which save a considerable computational time during the optimization process. Some 3D designs for dipoles are finally proposed, and it is shown that the harmonic integrals can be easily optimized using this model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Analytical modeling of AlGaN/AlN/GaN heterostructures including effects of distributed surface donor states

In this paper, a physics based analytical model is presented for calculation of the two-dimensional electron gas density and the bare surface barrier height of AlGaN/AlN/GaN material stacks. The presented model is based on the concept of distributed surface donor states and the self-consistent solution of Poisson equation at the different material interfaces. The model shows good agreement with the reported experimental data and can be used for the design and characterization of advanced GaN devices for power and radio frequency applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

An analytical model to predict curvature effects of the carbon nanotube on the overall behavior of nanocomposites

In this study, analytical expressions are introduced to provide a better understanding of carbon nanotubes (CNTs) curvature on the overall behavior of nanocomposites. The curviness of CNT is modeled as the wave geometries, and the transformed physical characteristics are applied to micromechanical framework. Since five independent elastic constants of CNTs are essential to derive the waviness effect, atomistic molecular statics simulations with varying nanotube radii are conducted. Influences of CNT curviness on the effective stiffness of the nanocomposites are analyzed, noting that the curvature effect is significantly influential on the effective stiffness of the nanocomposites, and it may improve or reduce the reinforcing effect depending on the orientation of CNTs. In addition, the predictions are compared with experimental data of the CNT-reinforced nanocomposites to assess the reliability of the proposed method. The developed constitutive model is expected to be used to determine the volume concentration of the reinforcing CNTs and mechanical responses of CNT-reinforced composites under various CNT curvature, radius, and orientation conditions.

42 ENGINEERING↗
DOE OSTI2014

Analytic matrix elements for the two-electron atomic basis with logarithmic terms

The two-electron problem for the helium-like atoms in S-state is considered. The basis containing the integer powers of ln r, where r is a radial variable of the Fock expansion, is studied. In this basis, the analytic expressions for the matrix elements of the corresponding Hamiltonian are presented. These expressions include only elementary and special functions, what enables very fast and accurate computation of the matrix elements. The decisive contribution of the correct logarithmic terms to the behavior of the two-electron wave function in the vicinity of the triple-coalescence point is reaffirmed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Absolute analytical prediction of photonic crystal guided mode resonance wavelengths

A class of photonic crystal resonant reflectors known as guided mode resonant filters are optical structures that are widely used in the field of refractive index sensing, particularly in biosensing. For the purposes of understanding and design, their behavior has traditionally been modeled numerically with methods such as rigorous coupled wave analysis. Here it is demonstrated how the absolute resonance wavelengths of such structures can be predicted by analytically modeling them as slab waveguides in which the propagation constant is determined by a phase matching condition. The model is experimentally verified to be capable of predicting the absolute resonance wavelengths to an accuracy of within 0.75 nm, as well as resonance wavelength shifts due to changes in cladding index within an accuracy of 0.45 nm across the visible wavelength regime in the case where material dispersion is taken into account. Furthermore, it is demonstrated that the model is valid beyond the limit of low grating modulation, for periodically discontinuous waveguide layers, high refractive index contrasts, and highly dispersive media.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Analytical estimation of the correlation dimension of integer lattices

Recently [L. Lacasa and J. Gómez-Gardeñes, Phys. Rev. Lett. 110, 168703 (2013)], a fractal dimension has been proposed to characterize the geometric structure of networks. This measure is an extension to graphs of the so called correlation dimension, originally proposed by Grassberger and Procaccia to describe the geometry of strange attractors in dissipative chaotic systems. The calculation of the correlation dimension of a graph is based on the local information retrieved from a random walker navigating the network. In this contribution, we study such quantity for some limiting synthetic spatial networks and obtain analytical results on agreement with the previously reported numerics. In particular, we show that up to first order, the correlation dimension β of integer lattices ℤ{sup d} coincides with the Haussdorf dimension of their coarsely equivalent Euclidean spaces, β = d.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analytical model of electron transport in polycrystalline, degenerately doped ZnO films

An analytical description of the charge carrier transport, valid for non-degenerated and degenerated semiconductors, was developed, critically reviewed, and fitted to the temperature-dependent Hall mobility data of magnetron sputtered, degenerately doped ZnO:Al films. Our extended model for grain boundary scattering in semiconductors of arbitrary degeneracy is based on previous models from literature and suitable to describe the Hall mobility of the carriers as a function of the free carrier concentration and the temperature at the same time. It is mathematically simple enough for a fast fit procedure, which is not possible with most of the previous models. Applying a combined transport model consisting of ionized impurity scattering, phonon scattering, and grain boundary scattering in degenerate semiconductors, we were able to determine the trap density at the grain boundaries Nₜ ≈ 3×10¹³ to 5×10¹³cm⁻² and the deformation potential E{sub ac} in the range of 5 eV to 9 eV depending on the details of the transport model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

General analytical approach for sound transmission loss analysis through a thick metamaterial plate

We report theoretically and numerically on the sound transmission loss performance through a thick plate-type acoustic metamaterial made of spring-mass resonators attached to the surface of a homogeneous elastic plate. Two general analytical approaches based on plane wave expansion were developed to calculate both the sound transmission loss through the metamaterial plate (thick and thin) and its band structure. The first one can be applied to thick plate systems to study the sound transmission for any normal or oblique incident sound pressure. The second approach gives the metamaterial dispersion behavior to describe the vibrational motions of the plate, which helps to understand the physics behind sound radiation through air by the structure. Computed results show that high sound transmission loss up to 72 dB at 2 kHz is reached with a thick metamaterial plate while only 23 dB can be obtained for a simple homogeneous plate with the same thickness. Such plate-type acoustic metamaterial can be a very effective solution for high performance sound insulation and structural vibration shielding in the very low-frequency range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Simulation of electron transmittance and tunnel current in n{sup +} Poly-Si/HfSiO{sub x}N/Trap/SiO{sub 2}/Si(100) capacitors using analytical and numerical approaches

In this paper, we discuss the electron transmittance and tunneling current in high-k-based-MOS capacitors with trapping charge by including the off-diagonal effective-mass tensor elements and the effect of coupling between transverse and longitudinal energies represented by an electron velocity in the gate. The HfSiO{sub x}N/SiO{sub 2} dual ultrathin layer is used as the gate oxide in an n{sup +} poly- Si/oxide/Si capacitor to replace SiO{sub 2}. The main problem of using HfSiO{sub x}N is the charge trapping formed at the HfSiO{sub x}N/SiO{sub 2} interface that can influence the performance of the device. Therefore, it is important to develop a model taking into account the presence of electron traps at the HfSiO{sub x}N/SiO{sub 2} interface in the electron transmittance and tunneling current. The transmittance and tunneling current in n{sup +} poly- Si/HfSiO{sub x}N/trap/SiO2/Si(100) capacitors are calculated by using Airy wavefunctions and a transfer matrix method (TMM) as analytical and numerical approaches, respectively. The transmittance and tunneling current obtained from the Airy wavefunction are compared to those computed by the TMM. The effects of the electron velocity on the transmittance and tunneling current are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

An analytic expression for the sheath criterion in magnetized plasmas with multi-charged ion species

The generalized Bohm criterion in magnetized multi-component plasmas consisting of multi-charged positive and negative ion species and electrons is analytically investigated by using the hydrodynamic model. It is assumed that the electrons and negative ion density distributions are the Boltzmann distribution with different temperatures and the positive ions enter into the sheath region obliquely. Our results show that the positive and negative ion temperatures, the orientation of the applied magnetic field and the charge number of positive and negative ions strongly affect the Bohm criterion in these multi-component plasmas. To determine the validity of our derived generalized Bohm criterion, it reduced to some familiar physical condition and it is shown that monotonically reduction of the positive ion density distribution leading to the sheath formation occurs only when entrance velocity of ion into the sheath satisfies the obtained Bohm criterion. Also, as a practical application of the obtained Bohm criterion, effects of the ionic temperature and concentration as well as magnetic field on the behavior of the charged particle density distributions and so the sheath thickness of a magnetized plasma consisting of electrons and singly charged positive and negative ion species are studied numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Analytic structure of the S-matrix for singular quantum mechanics

The analytic structure of the S-matrix of singular quantum mechanics is examined within a multichannel framework, with primary focus on its dependence with respect to a parameter (Ω) that determines the boundary conditions. Specifically, a characterization is given in terms of salient mathematical and physical properties governing its behavior. These properties involve unitarity and associated current-conserving Wronskian relations, time-reversal invariance, and Blaschke factorization. The approach leads to an interpretation of effective nonunitary solutions in singular quantum mechanics and their determination from the unitary family.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗