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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Communication: A simple full range analytical potential for H{sub 2} b{sup 3}∑{sub u}{sup +}, H–He {sup 2}∑{sup +}, and He{sub 2} {sup 1}∑{sub g}{sup +}

The Tang-Toennies potential for the weakly interacting systems H{sub 2} b{sup 3}Σ{sub u}{sup +}, H–He {sup 2}Σ{sup +}, and He{sub 2} {sup 1}Σ{sub g}{sup +} is extended down to the united atom limit of vanishing internuclear distance. A simple analytic expression connects the united atom limiting potential with the Tang-Toennies potential in the well region. The new potential model is compared with the most recent ab initio calculations for all three systems. The agreement is better than 20% (H{sub 2} and He{sub 2}) or comparable with the differences in the available ab initio calculations (H–He) over six orders of magnitude corresponding to the entire range of internuclear distances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Performance of improved magnetostrictive vibrational power generator, simple and high power output for practical applications

Vibration based power generation technology is utilized effectively in various fields. Author has invented novel vibrational power generation device using magnetostrictive material. The device is based on parallel beam structure consisting of a rod of iron-gallium alloy wound with coil and yoke accompanied with permanent magnet. When bending force is applied on the tip of the device, the magnetization inside the rod varies with induced stress due to the inverse magnetostrictive effect. In vibration, the time variation of the magnetization generates voltage on the wound coil. The magnetostrictive type is advantageous over conventional such using piezoelectric or moving magnet types in high efficiency and high robustness, and low electrical impedance. Here, author has established device configuration, simple, rigid, and high power output endurable for practical applications. In addition, the improved device is lower cost using less volume of Fe-Ga and permanent magnet compared to our conventional, and its assembly by soldering is easy and fast suitable for mass production. Average power of 3 mW/cm{sup 3} under resonant vibration of 212 Hz and 1.2 G was obtained in miniature prototype using Fe-Ga rod of 2 × 0.5× 7 mm{sup 3}. Furthermore, the damping effect was observed, which demonstrates high energy conversion of the generator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A simple and facile synthesis of MPA capped CdSe and CdSe/CdS core/shell nanoparticles

II-VI semiconductor nanostructures, in particular, CdSe quantum dots have drawn a lot of attention because of their promising potential applications in biological tagging, photovoltaic, display devices etc. due to their excellent optical properties, high emission quantum yield, size dependent emission wavelength and high photostability. In this paper, we describe the synthesis and properties of mercaptopropionic acid capped CdSe and CdSe/CdS nanoparticles through a simple and efficient co-precipitation method followed by hydrothermal treatment. The growth process, characterization and the optical absorption as a function of wavelength for the synthesized MPA capped CdSe and CdSe/CdS nanoparticles have been determined using X-ray diffraction study (XRD), Ultraviolet-Visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FT-IR) and High Resolution Transmission Electron Microscopy (HRTEM)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A simple stochastic quadrant model for the transport and deposition of particles in turbulent boundary layers

We present a simple stochastic quadrant model for calculating the transport and deposition of heavy particles in a fully developed turbulent boundary layer based on the statistics of wall-normal fluid velocity fluctuations obtained from a fully developed channel flow. Individual particles are tracked through the boundary layer via their interactions with a succession of random eddies found in each of the quadrants of the fluid Reynolds shear stress domain in a homogeneous Markov chain process. In this way, we are able to account directly for the influence of ejection and sweeping events as others have done but without resorting to the use of adjustable parameters. Deposition rate predictions for a wide range of heavy particles predicted by the model compare well with benchmark experimental measurements. In addition, deposition rates are compared with those obtained from continuous random walk models and Langevin equation based ejection and sweep models which noticeably give significantly lower deposition rates. Various statistics related to the particle near wall behavior are also presented. Finally, we consider the model limitations in using the model to calculate deposition in more complex flows where the near wall turbulence may be significantly different.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Simple scalings for various regimes of electron acceleration in surface plasma waves

Different electron acceleration regimes in the evanescent field of a surface plasma wave are studied by considering the interaction of a test electron with the high-frequency electromagnetic field of a surface wave. The non-relativistic and relativistic limits are investigated. Simple scalings are found demonstrating the possibility to achieve an efficient conversion of the surface wave field energy into electron kinetic energy. This mechanism of electron acceleration can provide a high-frequency pulsed source of relativistic electrons with a well defined energy. In the relativistic limit, the most energetic electrons are obtained in the so-called electromagnetic regime for surface waves. In this regime, the particles are accelerated to velocities larger than the wave phase velocity, mainly in the direction parallel to the plasma-vacuum interface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Simple expressions of the nuclear relaxation rate enhancement due to quadrupole nuclei in slowly tumbling molecules

For slowly tumbling entities or quasi-rigid lattices, we derive very simple analytical expressions of the quadrupole relaxation enhancement (QRE) of the longitudinal relaxation rate R{sub 1} of nuclear spins I due to their intramolecular magnetic dipolar coupling with quadrupole nuclei of arbitrary spins S ≥ 1. These expressions are obtained by using the adiabatic approximation for evaluating the time evolution operator of the quantum states of the quadrupole nuclei S. They are valid when the gyromagnetic ratio of the spin S is much smaller than that of the spin I. The theory predicts quadrupole resonant peaks in the dispersion curve of R{sub 1} vs magnetic field. The number, positions, relative intensities, Lorentzian shapes, and widths of these peaks are explained in terms of the following properties: the magnitude of the quadrupole Hamiltonian and the asymmetry parameter of the electric field gradient (EFG) acting on the spin S, the S-I inter-spin orientation with respect to the EFG principal axes, the rotational correlation time of the entity carrying the S–I pair, and/or the proper relaxation time of the spin S. The theory is first applied to protein amide protons undergoing dipolar coupling with fast-relaxing quadrupole {sup 14}N nuclei and mediating the QRE to the observed bulk water protons. The theoretical QRE agrees well with its experimental counterpart for various systems such as bovine pancreatic trypsin inhibitor and cartilages. The anomalous behaviour of the relaxation rate of protons in synthetic aluminium silicate imogolite nano-tubes due to the QRE of {sup 27}Al (S = 5/2) nuclei is also explained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Z-scan: A simple technique for determination of third-order optical nonlinearity

Z-scan is a simple experimental technique to measure intensity dependent nonlinear susceptibilities of third-order nonlinear optical materials. This technique is used to measure the sign and magnitude of both real and imaginary part of the third order nonlinear susceptibility (χ{sup (3)}) of nonlinear optical materials. In this paper, we investigate third-order nonlinear optical properties of Ag-polymer composite film by using single beam z-scan technique with Q-switched, frequency doubled Nd: YAG laser (λ=532 nm) at 5 ns pulse. The values of nonlinear absorption coefficient (β), nonlinear refractive index (n{sub 2}) and third-order nonlinear optical susceptibility (χ{sup (3)}) of permethylazine were found to be 9.64 × 10{sup −7} cm/W, 8.55 × 10{sup −12} cm{sup 2}/W and 5.48 × 10{sup −10} esu, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Simple-design ultra-low phase noise microwave frequency synthesizers for high-performing Cs and Rb vapor-cell atomic clocks

We report on the development and characterization of novel 4.596 GHz and 6.834 GHz microwave frequency synthesizers devoted to be used as local oscillators in high-performance Cs and Rb vapor-cell atomic clocks. The key element of the synthesizers is a custom module that integrates a high spectral purity 100 MHz oven controlled quartz crystal oscillator frequency-multiplied to 1.6 GHz with minor excess noise. Frequency multiplication, division, and mixing stages are then implemented to generate the exact output atomic resonance frequencies. Absolute phase noise performances of the output 4.596 GHz signal are measured to be −109 and −141 dB rad{sup 2}/Hz at 100 Hz and 10 kHz Fourier frequencies, respectively. The phase noise of the 6.834 GHz signal is −105 and −138 dB rad{sup 2}/Hz at 100 Hz and 10 kHz offset frequencies, respectively. The performances of the synthesis chains contribute to the atomic clock short term fractional frequency stability at a level of 3.1 × 10{sup −14} for the Cs cell clock and 2 × 10{sup −14} for the Rb clock at 1 s averaging time. This value is comparable with the clock shot noise limit. We describe the residual phase noise measurements of key components and stages to identify the main limitations of the synthesis chains. The residual frequency stability of synthesis chains is measured to be at the 10{sup −15} level for 1 s integration time. Relevant advantages of the synthesis design, using only commercially available components, are to combine excellent phase noise performances, simple-architecture, low-cost, and to be easily customized for signal output generation at 4.596 GHz or 6.834 GHz for applications to Cs or Rb vapor-cell frequency standards.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Self-duality for the two-component asymmetric simple exclusion process

We study a two-component asymmetric simple exclusion process (ASEP) that is equivalent to the ASEP with second-class particles. We prove self-duality with respect to a family of duality functions which are shown to arise from the reversible measures of the process and the symmetry of the generator under the quantum algebra U{sub q}[gl{sub 3}]. We construct all invariant measures in explicit form and discuss some of their properties. We also prove a sum rule for the duality functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Using statistical learning to close two-fluid multiphase flow equations for a simple bubbly system

Direct numerical simulations of bubbly multiphase flows are utilized to find closure terms for a simple model of the average flow, using Neural Networks (NNs). The flow considered consists of several nearly spherical bubbles rising in a periodic domain where the initial vertical velocity and the average bubble density are homogeneous in two directions but non-uniform in one of the horizontal directions. After an initial transient motion the average void fraction and vertical velocity become approximately uniform. The NN is trained on a dataset from one simulation and then used to simulate the evolution of other initial conditions. As a whole, the resulting model predicts the evolution of the various initial conditions reasonably well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A simple extrapolation of thermodynamic perturbation theory to infinite order

Recent analyses of the third and fourth order perturbation contributions to the equations of state for square well spheres and Lennard-Jones chains show trends that persist across orders and molecular models. In particular, the ratio between orders (e.g., A{sub 3}/A{sub 2}, where A{sub i} is the ith order perturbation contribution) exhibits a peak when plotted with respect to density. The trend resembles a Gaussian curve with the peak near the critical density. This observation can form the basis for a simple recursion and extrapolation from the highest available order to infinite order. The resulting extrapolation is analytic and therefore cannot fully characterize the critical region, but it remarkably improves accuracy, especially for the binodal curve. Whereas a second order theory is typically accurate for the binodal at temperatures within 90% of the critical temperature, the extrapolated result is accurate to within 99% of the critical temperature. In addition to square well spheres and Lennard-Jones chains, we demonstrate how the method can be applied semi-empirically to the Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A simple method for finding the scattering coefficients of quantum graphs

Quantum walks are roughly analogous to classical random walks, and similar to classical walks they have been used to find new (quantum) algorithms. When studying the behavior of large graphs or combinations of graphs, it is useful to find the response of a subgraph to signals of different frequencies. In doing so, we can replace an entire subgraph with a single vertex with variable scattering coefficients. In this paper, a simple technique for quickly finding the scattering coefficients of any discrete-time quantum graph will be presented. These scattering coefficients can be expressed entirely in terms of the characteristic polynomial of the graph’s time step operator. This is a marked improvement over previous techniques which have traditionally required finding eigenstates for a given eigenvalue, which is far more computationally costly. With the scattering coefficients we can easily derive the “impulse response” which is the key to predicting the response of a graph to any signal. This gives us a powerful set of tools for rapidly understanding the behavior of graphs or for reducing a large graph into its constituent subgraphs regardless of how they are connected.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On a simple way to calculate electronic resonances for polyatomic molecules

We propose a simple method for calculation of low-lying shape electronic resonances of polyatomic molecules. The method introduces a perturbation potential and requires only routine bound-state type calculations in the real domain of energies. Such a calculation is accessible by most of the free or commercial quantum chemistry software. The presented method is based on the analytical continuation in a coupling constant model, but unlike its previous variants, we experience a very stable and robust behavior for higher-order extrapolation functions. Moreover, the present approach is independent of the correlation treatment used in quantum many-electron computations and therefore we are able to apply Coupled Clusters (CCSD-T) level of the correlation model. We demonstrate these properties on determination of the resonance position and width of the {sup 2}Π{sub u} temporary negative ion state of diacetylene using CCSD-T level of theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states

We present a simple quasi-diabatization scheme applicable to spectroscopic studies that can be applied using any wavefunction for which one-electron properties and transition properties can be calculated. The method is based on rotation of a pair (or set) of adiabatic states to minimize the difference between the given transition property at a reference geometry of high symmetry (where the quasi-diabatic states and adiabatic states coincide) and points of lower symmetry where quasi-diabatic quantities are desired. Compared to other quasi-diabatization techniques, the method requires no special coding, facilitates direct comparison between quasi-diabatic quantities calculated using different types of wavefunctions, and is free of any selection of configurations in the definition of the quasi-diabatic states. On the other hand, the method appears to be sensitive to multi-state issues, unlike recent methods we have developed that use a configurational definition of quasi-diabatic states. Results are presented and compared with two other recently developed quasi-diabatization techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effective electrostatic interactions among charged thermo-responsive microgels immersed in a simple electrolyte

This work explores the nature and thermodynamic behavior of the effective electrostatic interactions among charged microgels immersed in a simple electrolyte, taking special interest in the effects due to the thermally induced variation of the microgel size while the remaining parameters (microgel charge and concentration, plus the amount of added salt) are kept constant. To this end, the rigorous approach obtained from applying the precise methodology of the dressed ion theory to the proper definition of the effective direct correlation functions, which emerge from tracing-out the degrees of freedom of the microscopic ions, is employed to provide an exact description of the parameters characterizing such interactions: screening length, effective permittivity, and renormalized charges. A model solution with three components is assumed: large permeable anionic spheres for the microgels, plus small charged hard spheres of equal size for the monovalent cations and anions. The two-body correlations among the components of this model suspension, used as the input for the determination of the effective interaction parameters, are here calculated by using the hyper-netted chain approximation. It is then found that at finite microgel concentrations the values of these parameters change as the microgel size increases, even though the ionic strength of the supporting electrolyte and the bare charge of the microgels remain fixed during this process. The variation of the screening length, as well as that of the effective permittivity, is rather small, but still interesting in view of the fact that the corresponding Debye length stays constant. The renormalized charges, in contrast, increase markedly as the microgels swell. The ratio of the renormalized charge to the corresponding analytic result obtained in the context of an extended linear response theory allows us to introduce an effective charge that accounts for the non-linear effects induced by the short-ranged association of microions to the microgels. The behavior of these effective charges as a function of the amount of added salt and the macroion charge, size, and concentration reveals the interplay among all these system parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Simple method for the growth of 4H silicon carbide on silicon substrate

In this study we report thermal evaporation technique as a simple method for the growth of 4H silicon carbide on p-type silicon substrate. A mixture of Si and C{sub 60} powder of high purity (99.99%) was evaporated from molybdenum boat. The as grown film was characterized by XRD, FTIR, UV-Vis Spectrophotometer and Hall Measurements. The XRD pattern displayed four peaks at 2Θ angles 28.55{sup 0}, 32.70{sup 0}, 36.10{sup 0} and 58.90{sup 0} related to Si (1 1 1), 4H-SiC (1 0 0), 4H-SiC (1 1 1) and 4H-SiC (2 2 2), respectively. FTIR, UV-Vis spectrophotometer and electrical properties further strengthened the 4H-SiC growth.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis and characterization of Fe{sub 2}O{sub 3} nanoparticles by simple precipitation method

A simple and efficient synthesis of Iron-oxide nanoparticles was carried out by precipitation method using ferric chloride as precursor and ammonium hydroxide as a stabilizing agent at different calcination temperatures. The synthesized powder was characterized by powder X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Field Emission Scanning Electron Microscope (FE-SEM) and Transmission Electron Microscopy (TEM). X-ray diffraction indicated the formation hematite Fe{sub 2}O{sub 3} structure. FTIR showed various functional groups of particles and absorption bands related to metal oxygen vibration modes. The heating temperatures were varied at 100 °C, 200°C, and 300°C. The Fe{sub 2}O{sub 3} nanostructures with the average particle size of about 36.22 nm were prepared at 300°C for 4h. TEM study is also confirming the nanosize of Fe{sub 2}O{sub 3} particle. This aqueous precipitation method gives a large scale production of Fe{sub 2}O{sub 3} nanoparticles easily.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Highly sensitive simple homodyne phase detector for ultrasonic pulse-echo measurements

Progress in microelectronic technology has allowed us to design and develop a simple but, professional quality instrument for ultrasonic pulse-echo probing of the elastic properties of materials. The heart of this interfer- ometer lies in the AD8302 microchip, a gain and phase detector from Analog Devices, Inc. The interferometer was tested by measuring the temperature dependences of the ultrasound speed and attenuation in a ferro- electric KTa 0.92 Nb 0.08 O 3 (KTN) crystal at a frequency of about 40 MHz. These tests demonstrated that our instrument is capable of detecting the relative changes in the sound speed v on the level of Δv/v ~ 10 –7 . In addition, the ultrasound attenuation revealed new features in the development of the low-temperature structure of the ferroelectric KTN crystal.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗