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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Tunneling properties of nonplanar molecules in a gas medium

We propose a simple, general, and accurate formula for analyzing the tunneling between classical configurations of a nonplanar molecule in a gas medium, as a function of the thermodynamic parameters of the gas. We apply it to two interesting cases: (i) the shift to zero frequency of the inversion line of ammonia, upon an increase in the pressure of the gas; and (ii) the destruction of the coherent tunneling of D{sub 2}S{sub 2} molecules in a He gas. In both cases, we compare our analysis with previous theoretical and experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Demonstration of Intelligent HVAC Load Management With Deep Reinforcement Learning: Real-World Experience of Machine Learning in Demand Control

We report that buildings account for 40% of total primary energy consumption and 30% of all CO 2 emissions worldwide. A large portion of building energy consumption is due to heating, ventilation, and air-conditioning (HVAC) systems. In the summer, for example, more than 50% of a building’s electricity consumption is used for cooling. With proper energy management, buildings can provide load shifting, peak shaving, frequency regulation, and many other demand response services.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Reduced and Earlier Snowmelt Runoff Impacts Traditional Irrigation Systems

We show seasonal runoff from montane uplands is crucial for plant growth in agricultural communities of northern New Mexico. These communities typically employ traditional irrigation systems, called acequias, which rely mainly upon spring snowmelt runoff for irrigation. The trend of the past few decades is an increase in temperature, reduced snow pack, and earlier runoff from snowmelt across much of the western United States. In order to predict the potential impacts of changes in future climate a system dynamics model was constructed to simulate the surface water supplies in a montane upland watershed of a small irrigated community in northern New Mexico through the rest of the 21 st century. End-term simulations of representative concentration pathways (RCP) 4.5 and 8.5 suggest that runoff during the months of April to August could be reduced by 22% and 56%, respectively. End-term simulations also displayed a shift in the beginning and peak of snowmelt runoff by up to one month earlier than current conditions. Results suggest that rising temperatures will drive reduced runoff in irrigation season and earlier snowmelt runoff in the dry season towards the end of the 21 st century. Modeled results suggest that climate change leads to runoff scheme shift and increased frequency of drought; due to the uncontemporaneous of irrigation season and runoff scheme, water shortage will increase. Potential impacts of climate change scenarios and mitigation strategies should be further investigated to ensure the resilience of traditional agricultural communities in New Mexico and similar regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Characteristic image quality of a third generation dual-source MDCT scanner: Noise, resolution, and detectability

Purpose: The purpose of this work was to assess the inherent image quality characteristics of a new multidetector computed tomography system in terms of noise, resolution, and detectability index as a function of image acquisition and reconstruction for a range of clinically relevant settings. Methods: A multisized image quality phantom (37, 30, 23, 18.5, and 12 cm physical diameter) was imaged on a SOMATOM Force scanner (Siemens Medical Solutions) under variable dose, kVp, and tube current modulation settings. Images were reconstructed with filtered back projection (FBP) and with advanced modeled iterative reconstruction (ADMIRE) with iterative strengths of 3, 4, and 5. Image quality was assessed in terms of the noise power spectrum (NPS), task transfer function (TTF), and detectability index for a range of detection tasks (contrasts of approximately 45, 90, 300, −900, and 1000 HU, and 2–20 mm diameter) based on a non-prewhitening matched filter model observer with eye filter. Results: Image noise magnitude decreased with decreasing phantom size, increasing dose, and increasing ADMIRE strength, offering up to 64% noise reduction relative to FBP. Noise texture in terms of the NPS was similar between FBP and ADMIRE (<5% shift in peak frequency). The resolution, based on the TTF, improved with increased ADMIRE strength by an average of 15% in the TTF 50% frequency for ADMIRE-5. The detectability index increased with increasing dose and ADMIRE strength by an average of 55%, 90%, and 163% for ADMIRE 3, 4, and 5, respectively. Assessing the impact of mA modulation for a fixed average dose over the length of the phantom, detectability was up to 49% lower in smaller phantom sections and up to 26% higher in larger phantom sections for the modulated scan compared to a fixed tube current scan. Overall, the detectability exhibited less variability with phantom size for modulated scans compared to fixed tube current scans. Conclusions: Image quality increased with increasing dose and decreasing phantom size. The CT system exhibited nonlinear noise and resolution properties, especially at very low-doses, large phantom sizes, and for low-contrast objects. Objective image quality metrics generally increased with increasing dose and ADMIRE strength, and with decreasing phantom size. The ADMIRE algorithm could offer comparable image quality at reduced doses or improved image quality at the same dose. The use of tube current modulation resulted in more consistent image quality with changing phantom size.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

TU-EF-204-12: Quantitative Evaluation of Spectral Detector CT Using Virtual Monochromatic Images: Initial Results

Purpose To evaluate the image quality and spectral information of a spectral detector CT (SDCT) scanner using virtual monochromatic (VM) energy images. Methods The SDCT scanner (Philips Healthcare) was equipped with a dual-layer detector and spectral iterative reconstruction (IR), which generates conventional 80–140 kV polychromatic energy (PE) CT images using both detector layers, PE images from the low-energy (upper) and high-energy (lower) detector layers and VM images. A solid water phantom with iodine (2.0–20.0 mg I/ml) and calcium (50.0–600.0 mg Ca/ml) rod inserts was used to evaluate effective energy estimate (EEE) and iodine contrast to noise ratio (CNR). The EEE corresponding to an insert CT number in a PE image was calculated from a CT number fit to the VM image set. Since PE image is prone to beam-hardening artifact EEE may underestimate the actual energy separation from two layers of the detector. A 30-cm-diameter water phantom was used to evaluate noise power spectrum (NPS). The phantoms were scanned at 120 and 140 kV with the same CTDIvol. Results The CT number difference for contrast inserts in VM images (50–150 keV) was 1.3±6% between 120 and 140 kV scans. The difference of EEE calculated from low- and high-energy detector images was 11.5 and 16.7 keV for 120 and 140 kV scans, respectively. The differences calculated from 140 and 100 kV conventional PE images were 12.8, and 20.1 keV from 140 and 80 kV conventional PE images. The iodine CNR increased monotonically with decreased keV. Compared to conventional PE images, the peak of NPS curves from VM images were shifted to lower frequency. Conclusion The EEE results indicates that SDCT at 120 and 140 kV may have energy separation comparable to 100/140 kV and 80/140 kV dual-kV imaging. The effects of IR on CNR and NPS require further investigation for SDCT. Author YY and AD are Philips Healthcare employees.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Raman Spectra of n-Butane, Isobutane, n-Pentane, and Isopentane in a Methane Environment

We have studied the particular features of the Raman spectra of gaseous n-butane, isobutane, n-pentane, and isopentane in a methane medium at a pressure of 25 atm. It has been found that, under these conditions, changes in the conformational equilibria of these molecules are negligible, and most significant changes in the spectra are observed in the range of 2850–3000 cm{sup –1}, in which bands corresponding to the stretching vibrations of CH{sub 2} and CH{sub 3} groups shift to lower frequencies. The data obtained will be usefull in determining the composition of natural gas using Raman spectroscopy.

2-METHYLBUTANE↗
DOE OSTI2011

Computer simulation of surface-enhanced Raman scattering in nanostructured metamaterials

The simulation of local field fluctuations and surface-enhanced Raman scattering in percolation systems at the percolation threshold is described. An approximate real-space renormalization group method was used in the simulation. It allows one to radically reduce the computation time compared to an exact calculation and to obtain detailed information about the electromagnetic field. The local fields in real macroscopic systems can be calculated by using this approximation. A computer simulation of the local fields in metal island (percolation) films has been performed by the developed method. The calculation has confirmed the existence of giant local field fluctuations. In turn, the local electric field excites Raman scattering. The local fields of surface-enhanced Raman scattering have been calculated for the first time. The dependence of the Raman scattering enhancement factor on the reference frequency and Stokes shift has been derived. An experimental observation of this dependence could be considered as a confirmation of the electromagnetic nature of the enhancement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Terahertz emission upon the band-to-band excitation of Group-IV semiconductors at room temperature

Terahertz emission upon the band-to-band excitation of Group-IV semiconductors (Si:B and Ge:Ga) at room temperature by a semiconductor laser emitting in the visible range (660 nm) is observed and investigated. It is established that, as the crystal temperature is elevated above room temperature, the emission intensity increases considerably, while the emission spectrum shifts to higher frequencies. The terahertz-emission spectra of germanium and silicon are quite similar to each other. The pump-intensity dependence of the terahertz-emission intensity is nearly linear. The above features make it possible to attribute the observed terahertz emission to the effect of crystal heating by absorbed pump radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Specific Features of the IR Reflectance and Raman Spectra of Sb{sub 2}Te{sub 3 –} {sub x}Se{sub x} Crystals

A comprehensive study (X-ray phase analysis, Raman spectroscopy, and IR reflectance measurements) of p-Sb{sub 2}Te{sub 3 –} {sub x}Se{sub x} (0 ≤ x ≤ 0.10) crystals synthesized by the Czochralski method is carried out. The X-ray phase data and Raman spectra show that all of the alloy samples under study are rhombohedral crystals in structure, with unit-cell parameters close to those of Sb{sub 2}Te{sub 3} crystals. At the same time, the formation of regions with different degrees of the replacement of Te atoms with Se atoms is observed. The reflectance spectra of the crystals, R(ν), have a characteristic minimum at about 1000 cm{sup –1}. The minimum is attributed to hole plasma vibrations. The plasma minimum systematically shifts to higher frequencies, as the Se content is increased. Calculation of the reflectance spectra in the context of the Drude–Lorentz model satisfactorily describes the experimental data; in this case, it is necessary to take into account also the contribution of optical crystal-lattice vibrations to spectra in the low-frequency region. The calculation makes it possible to determine the optical parameters of the crystals and to estimate the hole effective mass and the optical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

New Possibilities of Positron-Emission Tomography

The reasons for the emergence of the angular distribution of photons generated as a result of annihilation of an electron and a positron in a positron-emission tomograph are investigated. It is shown that the angular distribution of the radiation intensity (i.e., the probability of photon emission at different angles) is a consequence of the Doppler effect in the center-of-mass reference system of the electron and the positron. In the reference frame attached to the electron, the angular distribution of the number of emitted photons does not exists but is replaced by the Doppler shift of the frequency of photons. The results obtained in this study make it possible to extend the potentialities of the positron-emission tomograph in the diagnostics of diseases and to obtain additional mechanical characteristics of human tissues, such as density and viscosity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Phenomenology of bubble size distributions in a first-order phase transition

In a cosmological first-order phase transition (FOPT), the true and false vacuum bubble radius distributions are not expected to be monochromatic, as is usually assumed. Consequently, Fermi balls (FBs) and primordial black holes (PBHs) produced in a dark FOPT will have extended mass distributions. We show how gravitational wave (GW), microlensing and Hawking evaporation signals for extended bubble radius/mass distributions deviate from the case of monochromatic distributions. The peak of the GW spectrum is shifted to lower frequencies, and the spectrum is broadened at frequencies below the peak frequency. Thus, the radius distribution of true vacuum bubbles introduces another uncertainty in the evaluation of the GW spectrum from a FOPT. The extragalactic gamma-ray signal at AMEGO-X/e-ASTROGAM from PBH evaporation may evince a break in the power-law spectrum between 5 MeV and 10 MeV for an extended PBH mass distribution. Optical microlensing surveys may observe PBH mass distributions with average masses below 10 -10 M ⊙ , which is not possible for monochromatic mass distributions. This expands the FOPT parameter space that can be explored with microlensing.

Marfatia, Danny [Univ. of Hawaii at Manoa, Honolul↗
DOE OSTI2022

High-speed silicon microresonator modulators with high optical modulation amplitude (OMA) at input powers >10 mW

A high-speed silicon photonic microdisc modulator is used with more than 10 mW optical power in the bus waveguide, extending the optical power handling regime used with compact silicon resonant modulators at 1550 nm. We present an experimental study of the wavelength tuning range and biasing path required to shift the resonant frequency to the optimal point versus on chip power. We measure the optical modulation amplitude (OMA) along different biasing trajectories of the microdisc under active modulation and demonstrate an OMA of 4.1 mW with 13.5 mW optical power in the bus waveguide at 20 Gbit/s non-return to zero (NRZ) data modulation.

Wang, Xiaoxi↗
DOE OSTI2013

From Vibrational Spectroscopy to Force Fields and Structures of Saccharides: New Computational Algorithms and Applications

This work was undertaken with the main objective to investigate basic reactions that take place in relatively simple saccharides (mono-saccharides and cellobiose - the building block of cellulose) , in isolation and in cluster with few water molecules or with (gas-phase) clusters of few waters and ionic compounds (salt, isolated ions like H + or OH - ). Within the context of this work, different potentials were investigated; among them, were the PM3 semi empirical potential, DFT/BLYP and a new hybrid potential constructed from MP2 for the harmonic part and from adjusted Hartree-Fock anharmonic interactions (VSCF-PT2). These potentials were evaluated by comparison with experimental data from published sources and from several collaborating groups. The findings show excellent agreement between experiments and predictions with the hybrid VSCF-PT2 potential and very good agreement with predictions obtained from dynamics with dispersion corrected DFT/BLYP potential. Investigation of hydration of cellobiose, was another topic of interest. Guided by a hydration motif demonstrated by our experimental collaborators (team of Prof J.P. Simons), we demonstrated large energetic and structural differences between the two species of cellobiose: cis and trans. The later, which is dominant in solid and liquid phases, is higher in energy in the gas-phase and compared to pure water, it does not disturb as much the network of H bonds. In contrast, the cis species exhibits asymmetric hydration in cluster with up to 25 waters, indicating that it has surfactant properties. Another highlight of this research effort was the successful first time spectrometric and spectroscopic study of a gas-phase protonated sugar derivative (alpha-D-Galactopyranoside) and its interpretation by Ab Initio molecular dynamics (AIMD) simulations. The findings demonstrate the formation of a motif in which a proton bridges between two Oxygen atoms (belonging to OH groups) at the sugar; The vibrational bands involving the shared proton were strongly shifted to lower frequencies ( by about ~ 500 cm -1 for the symmetric mode, in this case). A similar motif was also observed recently by us in protonated cellobiose, indicating that this might be a common mechanism for interaction of a proton with sugars, perhaps similar to the proton wires observed in proteins. The simulations with protonated sugars also shed light on different mechanisms of interaction of a sugar with a proton, including formation of a carboxonium ion, mutarotation events, ring puckering and in the disaccharide cellobiose, the breaking of the glycosidic bond (in both forms of cis and trans). One final highlight to note in this summary, is the finding that in the monosaccharide beta-D-Galactose a hydroxyl ion abstracts a proton (forming water) in a barrierless process at room temperature, but the water remains bound to the sugar backbone, though it migrates around it; actual degradation occurs at ~500 K when water leaves the sugar. However, the study also shows that the water abstraction reaction can be reversed in the presence of 2 additional water molecules complexed with the sugar.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Properties of Alfvén Eigenmodes in the TAE range on the National Spherical Torus Experiment-Upgrade

A second Neutral Beam (NB) injection line is being installed on the NSTX Upgrade device, resulting in six NB sources with different tangency radii that will be available for heating and current drive. This work explores the properties of instabilities in the frequency range of the Toroidal Alfvén Eigenmode (TAE) for NSTX-U scenarios with various NB injection geometries, from more perpendicular to more tangential, and with increased toroidal magnetic field with respect to previous NSTX scenarios. Predictions are based on analysis through the ideal MHD code NOVA-K. For the scenarios considered in this work, modifications of the Alfvén continuum result in a frequency up-shift and a broadening of the radial mode structure. The latter effect may have consequences for fast ion transport and loss. Preliminary stability considerations indicate that TAEs are potentially unstable, with ion Landau damping representing the dominant damping mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Collective Memory Transfers for Multi-Core Chips

Future performance improvements for microprocessors have shifted from clock frequency scaling towards increases in on-chip parallelism. Performance improvements for a wide variety of parallel applications require domain-decomposition of data arrays from a contiguous arrangement in memory to a tiled layout for on-chip L1 data caches and scratchpads. How- ever, DRAM performance suffers under the non-streaming access patterns generated by many independent cores. We propose collective memory scheduling (CMS) that actively takes control of collective memory transfers such that requests arrive in a sequential and predictable fashion to the memory controller. CMS uses the hierarchically tiled arrays formal- ism to compactly express collective operations, which greatly improves programmability over conventional prefetch or list- DMA approaches. CMS reduces application execution time by up to 32% and DRAM read power by 2.2×, compared to a baseline DMA architecture such as STI Cell.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Noncontact Flow Rate Using Laser Ultrasonics

Several types of advanced nuclear reactors are cooled with high-temperature liquid metal or molten salt flows. There is a critical need to measure flow velocity in flow channels for test purposes, and eventually in operational reactors. In conventional ultrasonic flow sensors, ultrasonic waves traveling in both the upstream and downstream directions are generated and detected by transducers that must contact the flow channels. A shift in the frequency or transit time between the two ultrasonic waves is measured to determine flow velocity. We describe here an initial effort to apply that sensing concept when the contact transducers are replaced by laser-based generation and detection instrumentation. This noncontact sensing avoids many practical problems associated with contact transducers when implemented on flow channels at high temperature. Laser-based flow monitoring can also be applied to hot-process piping in the geothermal energy, chemical-processing and petroleum-refining industries. Our effort has included theoretical simulation of noncontact laser-based flow monitoring, indicating capability of measuring flow velocities relevant to reactor cooling. It also included a room-temperature experimental demonstration using water as the flow liquid, and indicating capability of measuring flow velocity at a responsivity roughly consistent with simulation predictions. Plans were made for an experimental demonstration at Oregon State University using liquid metal at 110 degrees C.

02 PETROLEUM↗
DOE OSTI2025

Exploring transport-enabled gates with integrated optical addressing to demonstrate high fidelity control of trapped ion qubits in a scalable quantum computer

In recent years, experiments involving micofabricated surface ion traps have grown in complexity, and as this complexity grows, a common design has emerged in the form of quantum charge-coupled device architecture. This architecture, already utilized on multiple systems, supports multiple zones on a device for areas such as memory or computation. The shutting process between these zones is a process often seen to be minimized. An additional component to scalable surface trapped-ion experiments includes some form of integrated photonics, as free space lasers have difficulty scaling to many ions. Here, we discuss recent results in utilizing the shuttling process with integrated photonics to perform a specific type of gate, as well as demonstrating state preparation. Furthermore, we show that these gates can be utilized as a type of optical modulator as the Doppler shift that occurs during shuttling will make the light seen by shuttled ions different than that seen by stationary ions. Furthermore, we show that the shuttling operation can be utilized as an optical modulator, where the Doppler shift changes the frequency from that of a stationary ion.

42 ENGINEERING↗