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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Development of simple band-spectral pyranometer and quantum meter using photovoltaic cells and bandpass filters

In recent years, greenhouse automatic-control, based on the measurement of solar irradiance, has been attracting attention. This control is an effective method for improving crop production. In the agricultural field, it is necessary to measure Photon Flux Density (PFD), which is an important parameter in the promotion of plant growth. In particular, the PFD of Photosynthetically Active Radiation (PAR, 400-700 nm) and Plant Biologically Active Radiation (PBAR, 300-800 nm) have been discussed in agricultural plant science. The commercial quantum meter (QM, PAR meter) can only measure Photosynthetically Photon Flux Density (PPFD) which is the integrated PFD quantity on the PAR wavelength. In this research, a band-spectral pyranometer or quantum meter using PVs with optical bandpass filters for dividing the PBAR wavelength into 100 nm bands (five independent channels) was developed. Before field testing, calibration of the instruments was carried out using a solar simulator. Next, a field test was conducted in three differing weather conditions such as clear, partly cloudy and cloudy skies. As a result, it was found that the response rate of the developed pyranometer was faster by four seconds compared with the response rate of the commercial pyranometer. Moreover, the outputs of each channel in the developed pyranometer were very similar to the integrated outputs of the commercial spectroradiometer. It was confirmed that the solar irradiance could be measured in each band separately using the developed band-spectral pyranometer. It was indicated that the developed band-spectral pyranometer could also be used as a PV band-spectral quantum meter which is obtained by converting the band irradiance into band PFD.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Effect of simple solutes on the long range dipolar correlations in liquid water

Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl{sub 2}) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH{sub 4}) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.

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

Simple model of a coherent molecular photocell

Electron transport in molecular electronic devices is often dominated by a coherent mechanism in which the wave function extends from the left contact over the molecule to the right contact. If the device is exposed to light, photon absorption in the molecule might occur, turning the device into a molecular photocell. The photon absorption promotes an electron to higher energy levels and thus modifies the electron transmission probability through the device. A model for such a molecular photocell is presented that minimizes the complexity of the problem while providing a non-trivial description of the device mechanism. In particular, the role of the molecule in the photocell is investigated. It is described within the Hückel method and the source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)] is used to eliminate the contacts in favor of complex-valued potentials. Furthermore, the photons are explicitly incorporated into the model through a second-quantized field. This facilitates the description of the photon absorption process with a stationary state calculation, where eigenvalues and eigenvectors are determined. The model developed is applied to various generic molecular photocells.

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

Sub- and super-Maxwellian evaporation of simple gases from liquid water

Non-Maxwellian evaporation of light atoms and molecules (particles) such as He and H{sub 2} from liquids has been observed experimentally. In this work, we use simulations to study systematically the evaporation of Lennard-Jones particles from liquid water. We find instances of sub- and super-Maxwellian evaporation, depending on the mass of the particle and the particle-water interaction strength. The observed trends are in qualitative agreement with experiment. We interpret these trends in terms of the potential of mean force and the effectiveness and frequency of collisions during the evaporation process. The angular distribution of evaporating particles is also analyzed, and it is shown that trends in the energy from velocity components tangential and normal to the liquid surface must be understood separately in order to interpret properly the angular distributions.

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

Preparation of ZnO nanoparticles showing upconversion luminescence through simple chemical method

Upconversion luminescence is an interesting area while considering its applications in a vast variety of fields. Rare earth ions like erbium is the most studied and efficient candidate for achieving upconversion. Erbium and ytterbium co-doped ZnO nanoparticles were prepared through co-precipitation method. A strong red emission has been obtained while exciting with 980 nm laser. Dependence of luminescence emission colour on ytterbium concentration has been studied.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Synthesis of NiO nanoparticles by a simple chemical method

NiO nanoparticles with diameters in the range 15-30 nm have been synthesized using the surfactant P123 in a liquid medium. The particles were characterized by X-ray diffraction and transmission electron microscope. The particle exhibit photoluminescence in the UV range with maximum intensity at 315 nm. due to optical band gap of the material. DC electrical resistivity was found to have an activation energy 0.23 eV. These materials are expected to find applications as electrodes in lithium ion batteries as also in fabrication of solar cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Contact area of rough spheres: Large scale simulations and simple scaling laws

We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the whole range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A simple method to prevent hard X-ray-induced preheating effects inside the cone tip in indirect-drive fast ignition implosions

During fast-ignition implosions, preheating of inside the cone tip caused by hard X-rays can strongly affect the generation and transport of hot electrons in the cone. Although indirect-drive implosions have a higher implosion symmetry, they cause stronger preheating effects than direct-drive implosions. To control the preheating of the cone tip, we propose the use of indirect-drive fast-ignition targets with thicker tips. Experiments carried out at the ShenGuang-III prototype laser facility confirmed that thicker tips are effective for controlling preheating. Moreover, these results were consistent with those of 1D radiation hydrodynamic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A simple multipurpose double-beam optical image analyzer

In the paper we present a low cost optical device which splits the light in the focal plane into two separate optical paths and collimates it back into a single image plane, and where a selective information processing can be carried out. The optical system is straightforward and easily implementable as it consists of only three lenses and two mirrors. The system is dedicated for imaging in low-light-level conditions in which widely used optical devices, based on beam splitters or dichroic mirrors, suffer from light loss. We expose examples of applications of our device, using a prototype model. The proposed optical system may be employed for: monitoring the objects located at different distances from observer (1), creating regions of different magnification within a single image plane (2), high dynamic range photometry (3), or imaging in two wavelength bands simultaneously (4).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

A simple laser locking system based on a field-programmable gate array

Frequency stabilization of laser light is crucial in both scientific and industrial applications. Technological developments now allow analog laser stabilization systems to be replaced with digital electronics such as field-programmable gate arrays, which have recently been utilized to develop such locking systems. We have developed a frequency stabilization system based on a field-programmable gate array, with emphasis on hardware simplicity, which offers a user-friendly alternative to commercial and previous home-built solutions. Frequency modulation, lock-in detection, and a proportional-integral-derivative controller are programmed on the field-programmable gate array and only minimal additional components are required to frequency stabilize a laser. The locking system is administered from a host-computer which provides comprehensive, long-distance control through a versatile interface. Various measurements were performed to characterize the system. The linewidth of the locked laser was measured to be 0.7 ± 0.1 MHz with a settling time of 10 ms. The system can thus fully match laser systems currently in use for atom trapping and cooling applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

A cavitation transition in the energy landscape of simple cohesive liquids and glasses

In particle systems with cohesive interactions, the pressure-density relationship of the mechanically stable inherent structures sampled along a liquid isotherm (i.e., the equation of state of an energy landscape) will display a minimum at the Sastry density ρ{sub S}. The tensile limit at ρ{sub S} is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρ{sub S} is a spinodal-like limit that separates all homogeneous and fractured inherent structures. Here, we revisit the phenomenology of Sastry behavior and find that it is subject to considerable finite-size effects, and the development of the inherent structure equation of state with system size is consistent with the finite-size rounding of an athermal phase transition. What appears to be a continuous spinodal-like point at finite system sizes becomes discontinuous in the thermodynamic limit, indicating behavior akin to a phase transition. We also study cavitation in glassy packings subjected to athermal expansion. Many individual expansion trajectories averaged together produce a smooth equation of state, which we find also exhibits features of finite-size rounding, and the examples studied in this work give rise to a larger limiting tension than for the corresponding landscape equation of state.

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

A simple method for characterizing and engineering thermal relaxation of an optical microcavity

Thermal properties of a photonic resonator are determined not only by intrinsic properties of materials, such as thermo-optic coefficient, but also by the geometry and structure of the resonator. Techniques for characterization and measurement of thermal properties of individual photonic resonator will benefit numerous applications. In this work, we demonstrate a method to optically measure the thermal relaxation time and effective thermal conductance of a whispering gallery mode microcavity using optothermal effect. Two nearby optical modes within the cavity are optically probed, which allows us to quantify the thermal relaxation process of the cavity by analyzing changes in the transmission spectra induced by optothermal effect. We show that the effective thermal conductance can be experimentally deduced from the thermal relaxation measurement, and it can be tailored by changing the geometric parameters of the cavity. The experimental observations are in good agreement with the proposed analytical modeling. This method can be applied to various resonators in different forms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A structural coarse-grained model for clays using simple iterative Boltzmann inversion

Cesium-137 is a crucial byproduct of nuclear energy generation and is environmentally threatening due to its long half-life and affinity for naturally occurring micaceous clays. Current experimental observations of illite and phlogopite mica indicate that Cs+ is capable of exchanging with K+ bound in the anhydrous interlayers of layered silicates, forming sharp exchange fronts, leading to interstratification of Cs- and K-illite. We introduce here a coarse-grained (CG) model of the anhydrous illite interlayer developed using iterative Boltzmann inversion that qualitatively and quantitatively reproduces features of a previously proposed feedback mechanism of ion exchange. The CG model represents a 70-fold speedup over all-atom models of clay systems and predicts interlayer expansion for K-illite near ion exchange fronts. Contrary to the longstanding theory that ion exchange in a neighboring layer increases the binding of K in lattice counterion sites leading to interstratification, we find that the presence of neighboring exchanged layers leads to short-range structural relaxations that increase basal spacing and decrease cohesion of the neighboring K-illite layers. We also provide evidence that the formation of alternating Cs- and K-illite interlayers (i.e., ordered interstratification) is both thermodynamically and mechanically favorable compared to exchange in adjacent interlayers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Simple eigenvalue-self-consistent $\overline{Δ}GW_0$

We show that a rigid scissors-like GW self-consistency approach, labeled here $\overline{Δ}GW_0$, can be trivially implemented at zero additional cost for large scale one-shot $G_0W_0$ calculations. The method significantly improves one-shot $G_0W_0$ and for large systems is very accurate. $\overline{Δ}GW_0$ is similar in spirit to ev$GW_0$ where the self-consistency is only applied on the eigenvalues entering Green's function, while both W and the eigenvectors of Green's function are held fixed. $\overline{Δ}GW_0$ further assumes that the shift of the eigenvalues is rigid scissors-like so that all occupied states are shifted by the same amount and analogously for all the unoccupied states. We show that this results in a trivial modification of the time-dependent $G_0W_0$ self-energy, enabling an a posteriori self-consistency cycle. The method is applicable for our recent stochastic-$GW$ approach, thereby enabling self-consistent calculations for giant systems with thousands of electrons. The accuracy of $\overline{Δ}GW_0$ increases with the system size. For molecules, it is up to 0.4-0.5 eV away from coupled-cluster single double triple (CCSD(T)), but for tetracene and hexacene, it matches the ionization energies from both CCSD(T) and ev$GW_0$ to better than 0.05 eV. For solids, as exemplified here by periodic supercells of semiconductors and insulators with 6192 valence electrons, the method matches ev$GW_0$ quite well and both methods are in good agreement with the experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗