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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Adaptive array technique for differential-phase reflectometry in QUEST

A Phased Array Antenna (PAA) was considered as launching and receiving antennae in reflectometry to attain good directivity in its applied microwave range. A well-focused beam was obtained in a launching antenna application, and differential-phase evolution was properly measured by using a metal reflector plate in the proof-of-principle experiment at low power test facilities. Differential-phase evolution was also evaluated by using the PAA in the Q-shu University Experiment with Steady State Spherical Tokamak (QUEST). A beam-forming technique was applied in receiving phased-array antenna measurements. In the QUEST device that should be considered as a large oversized cavity, standing wave effect was significantly observed with perturbed phase evolution. A new approach using derivative of measured field on propagating wavenumber was proposed to eliminate the standing wave effect.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Development of taste sensor system for differentiation of Indonesian herbal medicines

In Indonesia, herbal medicines are usually produced by small and medium enterprises which are relatively low in quality control. The purpose of this paper is to report that we have developed a taste sensor system with global selectivity, i.e., electronic tongue (e-tongue) for differentiation of Indonesian herbal medicines. The e-tongue was composed of five kinds of ion selective electrodes as working electrodes, data acquisition system, and pattern recognition system. Each ion selective electrode (ISE) was built by attaching lipid/polymer membrane. For this purpose, the five kinds of membranes were built by mixing lipid, plasticizer (nitrophenyl octyl ether/NPOE), polyvinyl chloride (PVC), and tetrahydrofuran (THF). In this study, we employed five kinds of lipid, namely oleic acid (OA), dioctyl phosphate (DOP), decyl alcohol (DA), dodecylamine (DDC), and trioctyl methyl ammonium chloride (TOMA). In this case, the membranes transform information of taste substances into electric signal. The five kinds of Indonesian herbal medicine were purchased from local supermarket in Yogyakarta, i.e., kunyit asam (made from turmeric and tamarind), beras kencur (made from rice and kencur), jahe wangi (made from ginger and fragrance), sirih wangi (made from betel leaf), and temulawak (made from Javanese ginger). Prior to detecting the taste from the Indonesian herbal medicine samples, each ion selective electrode was tested with five basic taste samples, i.e., for saltiness, sweetness, umami, bitterness, and sourness. All ISEs showed global selectivity to all samples. Furthermore, the array of ISEs showed specific response pattern to each Indonesian herbal medicine. For pattern recognition system, we employed principle component analysis (PCA). As a result, the e-tongue was able to differentiate five kinds of Indonesian herbal medicines, proven by the total variance of first and second principle components is about 93%. For the future, the e-tongue may be developed for quality control application in herbal medicine industries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Analysis of structure and phase composition of rails subjected to differential hardening at different regimes

Differential hardening of rails by compressed air in different regimes is accompanied by formation of morphologically different structure, being formed according to the diffusion mechanism of γ↔α transformation and consisting of grains of lamellar pearlite, free ferrite and grains of ferrite-carbide mixture. By methods of transmission electron microscopy the layer by layer analysis of differentially hardened rails has been carried out, the quantitative parameters of the structure, phase composition and dislocation substructure have been established and their comparison has been made for different regimes of hardening. It has been found that the structure-phase states being formed have gradient character, defined by the hardening regime, direction of study from the surface of rolling and by depth of location of layer under study.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Tip-contact related low-bias negative differential resistance and rectifying effects in benzene–porphyrin–benzene molecular junctions

The electronic transport properties of benzene–porphyrin–benzene (BPB) molecules coupled to gold (Au) electrodes were investigated. By successively removing the front-end Au atoms, several BPB junctions with different molecule-electrode contact symmetries were constructed. The calculated current–voltage (I–V) curves depended strongly on the contact configurations between the BPB molecules and the Au electrodes. In particular, a significant low-voltage negative differential resistance effect appeared at −0.3 V in the junctions with pyramidal electrodes on both sides. Along with the breaking of this tip-contact symmetry, the low-bias negative differential resistance effect gradually disappeared. This tip-contact may be ideal for use in the design of future molecular devices because of its similarity with experimental processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Negative differential resistance in GaN tunneling hot electron transistors

Room temperature negative differential resistance is demonstrated in a unipolar GaN-based tunneling hot electron transistor. Such a device employs tunnel-injected electrons to vary the electron energy and change the fraction of reflected electrons, and shows repeatable negative differential resistance with a peak to valley current ratio of 7.2. The device was stable when biased in the negative resistance regime and tunable by changing collector bias. Good repeatability and double-sweep characteristics at room temperature show the potential of such device for high frequency oscillators based on quasi-ballistic transport.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Stochastic differential equation model for linear growth birth and death processes with immigration and emigration

This paper discusses on linear birth and death with immigration and emigration (BIDE) process to stochastic differential equation (SDE) model. Forward Kolmogorov equation in continuous time Markov chain (CTMC) with a central-difference approximation was used to find Fokker-Planckequation corresponding to a diffusion process having the stochastic differential equation of BIDE process. The exact solution, mean and variance function of BIDE process was found.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

An absolute calibration method of an ethyl alcohol biosensor based on wavelength-modulated differential photothermal radiometry

In this work, laser-based wavelength-modulated differential photothermal radiometry (WM-DPTR) is applied to develop a non-invasive in-vehicle alcohol biosensor. WM-DPTR features unprecedented ethanol-specificity and sensitivity by suppressing baseline variations through a differential measurement near the peak and baseline of the mid-infrared ethanol absorption spectrum. Biosensor signal calibration curves are obtained from WM-DPTR theory and from measurements in human blood serum and ethanol solutions diffused from skin. The results demonstrate that the WM-DPTR-based calibrated alcohol biosensor can achieve high precision and accuracy for the ethanol concentration range of 0-100 mg/dl. The high-performance alcohol biosensor can be incorporated into ignition interlocks that could be fitted as a universal accessory in vehicles in an effort to reduce incidents of drinking and driving.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Differential phase contrast in scanning x-ray microscopy with half-wavelength phase shifter

A method for differential-phase-contrast imaging in scanning x-ray microscopy is proposed. The microfocus beam is produced with an x-ray focusing optics, and a half of the optical aperture is masked with a λ/2 phase shifter. This generates a pair of focused beam at the focal plane, with π phase difference. Combining with a diaphragm in front of the transmission beam detector, differential phase contrast (contrast proportional to the phase-difference between two foci) can be obtained. Preliminary results with a Fresnel zone plate focusing optics at 12.4 keV x-ray energy are shown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30–60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10{sup −14}–10{sup −13} m{sup 2} V{sup −1} s{sup −1} for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond

We introduce an extension to the PySCF package, which makes it automatically differentiable. The implementation strategy is discussed, and example applications are presented to demonstrate the automatic differentiation framework for quantum chemistry methodology development. These include orbital optimization, properties, excited-state energies, and derivative couplings, at the mean-field level and beyond, in both molecules and solids. We also discuss some current limitations and directions for future work.

Chemistry↗
DOE OSTI2024

Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb2VO5/QD heterostructures

The efficient conversion of solar energy to chemical energy represents a critical bottleneck to the energy transition. Photocatalytic splitting of water to generate solar fuels is a promising solution. Semiconductor quantum dots (QDs) are prime candidates for light-harvesting components of photocatalytic heterostructures, given their size-dependent photophysical properties and band-edge energies. A promising series of heterostructured photocatalysts interface QDs with transition-metal oxides which embed midgap electronic states derived from the stereochemically active electron lone pairs of p-block cations. Here, we examine the thermodynamic driving forces and dynamics of charge separation in Sb2VO5/CdSe QD heterostructures, wherein a high density of Sb 5s2-derived midgap states are prospective acceptors for photogenerated holes. Hard-x-ray valence band photoemission spectroscopy measurements of Sb2VO5/CdSe QD heterostructures were used to deduce thermodynamic driving forces for charge separation. Interfacial charge transfer dynamics in the heterostructures were examined as a function of the mode of interfacial connectivity, contrasting heterostructures with direct interfaces assembled by successive ion layer adsorption and reaction (SILAR) and interfaces comprising molecular bridges assembled by linker-assisted assembly (LAA). Transient absorption spectroscopy measurements indicate ultrafast (<2 ps) electron and hole transfer in SILAR-derived heterostructures, whereas LAA-derived heterostructures show orders of magnitude differentials in the kinetics of hole (<100 ps) and electron (∼1 ns) transfer. The interface-modulated kinetic differentials in electron and hole transfer rates underpin the more effective charge separation, reduced charge recombination, and greater photocatalytic efficiency observed for the LAA-derived Sb2VO5/CdSe QD heterostructures.

Chemistry↗
DOE OSTI2024

Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics

In this work, we introduce a differentiable implementation of the local natural orbital coupled cluster (LNO-CC) method within the automatic differentiation framework of the PySCFAD package. The implementation is comprehensively tuned for enhanced performance, which enables the calculation of first-order static response properties on medium-sized molecular systems using coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. We evaluate the accuracy of our method by benchmarking it against the canonical CCSD(T) reference for nuclear gradients, dipole moments, and geometry optimizations. In addition, we demonstrate the possibility of property calculations for chemically interesting systems through the computation of bond orders and Mössbauer spectroscopy parameters for a [NiFe]-hydrogenase active site model, along with the simulation of infrared spectra via ab initio LNO-CC molecular dynamics for a protonated water hexamer.

Chemistry↗
DOE OSTI2025

A generalized effective potential for differentially rotating plasmas

Global stability of differentially rotating plasma is investigated using a generalized effective potential. We first, for a current-free system, obtain a general form of an effective potential in terms of the free energies of global curvature and gradients of rotation for non-axisymmetric disturbances. We then examine the stability of differentially rotating disks for several rotation profiles and present the associated effective potential for the onset of these instabilities in the MHD regime. In particular, results for global axisymmetric magnetorotational instability as well as local and global non-axisymmetric modes are presented. The latter constitute two distinct non-axisymmetric modes, a high frequency local MRI and a global low-frequency non-axisymmetric mode (the magneto-curvature mode, introduced in Ebrahimi and Pharr [Astrophys. J. 936, 145 (2022)]), confined either between two Alfvénic resonances or an Alfvénic resonance and a boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Mueller-matrix mapping of biological tissues in differential diagnosis of optical anisotropy mechanisms of protein networks

We report a model of Mueller-matrix description of optical anisotropy of protein networks in biological tissues with allowance for the linear birefringence and dichroism. The model is used to construct the reconstruction algorithms of coordinate distributions of phase shifts and the linear dichroism coefficient. In the statistical analysis of such distributions, we have found the objective criteria of differentiation between benign and malignant tissues of the female reproductive system. From the standpoint of evidence-based medicine, we have determined the operating characteristics (sensitivity, specificity and accuracy) of the Mueller-matrix reconstruction method of optical anisotropy parameters and demonstrated its effectiveness in the differentiation of benign and malignant tumours. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Metaproteomics reveals differential modes of metabolic coupling among ubiquitous oxygen minimum zone microbes

Oxygen minimum zones (OMZs) are intrinsic water column features arising from respiratory oxygen demand during organic matter degradation in stratified marine waters. Currently OMZs are expanding due to global climate change. This expansion alters marine ecosystem function and the productivity of fisheries due to habitat compression and changes in biogeochemical cycling leading to fixed nitrogen loss and greenhouse gas production. Here we use metaproteomics to chart spatial and temporal patterns of gene expression along defined redox gradients in a seasonally anoxic fjord, Saanich Inlet to better understand microbial community responses to OMZ expansion. The expression of metabolic pathway components for nitrification, anaerobic ammonium oxidation (anammox), denitrification and inorganic carbon fixation predominantly co-varied with abundance and distribution patterns of Thaumarchaeota, Nitrospira, Planctomycetes and SUP05/ARCTIC96BD-19 Gammaproteobacteria. Within these groups, pathways mediating inorganic carbon fixation and nitrogen and sulfur transformations were differentially expressed across the redoxcline. Nitrification and inorganic carbon fixation pathways affiliated with Thaumarchaeota dominated dysoxic waters and denitrification, sulfur-oxidation and inorganic carbon fixation pathways affiliated with SUP05 dominated suboxic and anoxic waters. Nitrite-oxidation and anammox pathways affiliated with Nitrospina and Planctomycetes respectively, also exhibited redox partitioning between dysoxic and suboxic waters. The differential expression of these pathways under changing water column redox conditions has quantitative implications for coupled biogeochemical cycling linking different modes of inorganic carbon fixation with distributed nitrogen and sulfur-based energy metabolism extensible to coastal and open ocean OMZs.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2011

EFFECT OF DIFFERENTIAL FLOW OF ALPHA PARTICLES ON PROTON PRESSURE ANISOTROPY INSTABILITIES IN THE SOLAR WIND

In the solar wind, when the effects of proton-proton Coulomb collisions are negligible, alpha particles usually flow faster than the protons in such a way that the differential alpha-proton flow velocity V{sub d} = V{sub {alpha}} - V{sub p} is on the order of the Alfven speed, is directed away from the Sun, and is nearly aligned with the local mean magnetic field. When this differential flow is taken into account, solutions of the hot plasma dispersion relation show that for the parallel propagating electromagnetic ion cyclotron (EMIC) instability driven by the proton temperature anisotropy T{sub perpendicularp} > T{sub ||p}, the maximum growth rate occurs in the + V{sub d} direction and for the parallel firehose instability driven by the opposite proton temperature anisotropy T{sub ||p} > T{sub perpendicularp}, the maximum growth rate occurs in the - V{sub d} direction. Thus, the EMIC instability preferentially generates left circularly polarized Alfven-ion-cyclotron waves propagating away from the Sun and the parallel firehose instability preferentially generates right circularly polarized magnetosonic-whistler waves propagating toward the Sun with the maximum growth rates occurring for frequencies on the order of the proton cyclotron frequency and wavenumbers on the order of the proton inertial length. Because of the Doppler shift caused by the motion of the solar wind, both types of waves are left circularly polarized in the spacecraft frame for observations taken when the local mean magnetic field is collinear with the solar wind flow velocity. Theoretical investigation of these instabilities also shows that regions of parameter space exist where the unstable waves are generated propagating unidirectionally such as, for the EMIC instability for example, when the temperature anisotropy is small |(T{sub perpendicular{sub p}}/T{sub ||{sub p}}) - 1| < 1. Taken together, the above properties can explain the origin of parallel propagating electromagnetic waves recently observed near the proton inertial length in high-speed solar wind. The observed waves are most likely produced in situ by these instabilities. A remarkable property of the proposed mechanism that may be of practical importance is that the magnetic helicity of the unstable waves has the same sign no matter whether the proton temperature anisotropy (T{sub p{sub perpendicular}}/T{sub p{sub ||}}) - 1 is positive or negative.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

NUMERICAL SIMULATIONS OF Z-PINCH EXPERIMENTS TO CREATE SUPERSONIC DIFFERENTIALLY ROTATING PLASMA FLOWS

The physics of accretion disks is of fundamental importance for understanding of a wide variety of astrophysical sources that includes protostars, X-ray binaries, and active galactic nuclei. The interplay between hydrodynamic flows and magnetic fields and the potential for turbulence-producing instabilities is a topic of active research that would benefit from the support of dedicated experimental studies. Such efforts are in their infancy, but in an effort to push the enterprise forward we propose an experimental configuration which employs a modified cylindrical wire array Z-pinch to produce a rotating plasma flow relevant to accretion disks. We present three-dimensional resistive magnetohydrodynamic simulations which show how this approach can be implemented. In the simulations, a rotating plasma cylinder or ring is formed, with typical rotation velocity {approx}30 km s{sup -1}, Mach number {approx}4, and Reynolds number in excess of 10{sup 7}. The plasma is also differentially rotating. Implementation of different external magnetic field configurations is discussed. It is found that a modest uniform vertical field of 1 T can affect the dynamics of the system and could be used to study magnetic field entrainment and amplification through differential rotation. A dipolar field potentially relevant to the study of accretion columns is also considered.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

BIASES IN PHYSICAL PARAMETER ESTIMATES THROUGH DIFFERENTIAL LENSING MAGNIFICATION

We study the lensing magnification effect on background galaxies. Differential magnification due to different magnifications of different source regions of a galaxy will change the lensed composite spectra. The derived properties of the background galaxies are therefore biased. For simplicity, we model galaxies as a superposition of an axis-symmetric bulge and a face-on disk in order to study the differential magnification effect on the composite spectra. We find that some properties derived from the spectra (e.g., velocity dispersion, star formation rate, and metallicity) are modified. Depending on the relative positions of the source and the lens, the inferred results can be either over- or underestimates of the true values. In general, for an extended source at strong lensing regions with high magnifications, the inferred physical parameters (e.g., metallicity) can be strongly biased. Therefore, detailed lens modeling is necessary to obtain the true properties of the lensed galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗