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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Model-based optimizations of packaged rooftop air conditioners using low global warming potential refrigerants

Based on laboratory investigations for R-22 and R-410A alternative low GWP refrigerants in two baseline rooftop air conditioners (RTU), the DOE/ORNL Heat Pump Design Model was used to model the two RTUs and the models were calibrated against the experimental data. We compared the compressor efficiencies and heat exchanger performances. An efficiency-based compressor mapping method was developed. Extensive model-based optimizations were conducted to provide a fair comparison between all the low GWP candidates by selecting optimal configurations. The results illustrate that all the R-22 low GWP refrigerants will lead to slightly lower COPs. ARM-20B appears to be the best R-22 replacement at normal conditions. At higher ambient temperatures, ARM-20A exhibits better performance. All R-410A low GWP candidates will result in similar or better efficiencies than R-410A. R-32 has the best COP while requiring the smallest compressor. Finally, R-452B uses the closest compressor displacement volume and achieves the same efficiency as R-410A.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Quantifying deformation during Zry-4 burst testing: a comparison of BISON and a combined in-situ digital image correlation and infrared thermography method

The development and verification of nuclear fuel-cladding performance codes require extensive testing to establish empirical correlations, necessitating more accelerated testing methods that can replace large validation studies. Here, in the present work, a technique was developed and implemented to experimentally quantify the relationship between temperature, cladding internal pressure, and strain in-situ during a burst test, with the specific aim of generating data for code validation and model refinement. Digital image correlation was used to measure hoop, axial, and radial strain, and infrared thermography to quantify axial temperature gradients. Several key experimental modifications to traditional LOCA burst testing were necessary, but are shown to effectively have little impact on burst temperatures. The time/temperature dependent pressure and time/spatially dependent thermal gradient data were used with BISON to simulate cladding burst and strain rates. Although the measured DIC strains reach appreciable amounts at slightly lower temperatures than BISON simulated strains, there is good agreement between the measured and simulated strains in terms of magnitude and rates leading up to burst. However, in the few seconds prior to and during burst, the BISON simulated strains are significantly lower than the measured strains, indicating the potential for model improvement. The combined experiment and simulation technique may be applied to any new cladding concept to accelerate fuel qualification.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electron tomography of dislocation structures

Recent developments in the application of electron tomography for characterizing microstructures in crystalline solids are described. The underlying principles for electron tomography are presented in the context of typical challenges in adapting the technique to crystalline systems and in using diffraction contrast imaging conditions. Methods for overcoming the limitations associated with the angular range, the number of acquired images, and uniformity of image contrast are introduced. In addition, a method for incorporating the real space coordinate system into the tomogram is presented. As the approach emphasizes development of experimental solutions to the challenges, the solutions developed and implemented are presented in the form of examples.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Excitonic Effects in X-ray Absorption Spectra of Fluoride Salts and Their Surfaces

Given their natural abundance and thermodynamic stability, fluoride salts may appear as evolving components of electrochemical interfaces in Li-ion batteries and emergent multivalent ion cells. This is due to the practice of employing electrolytes with fluorine-containing species (salt, solvent, or additives) that electrochemically decompose and deposit on the electrodes. Operando X-ray absorption spectroscopy (XAS) can probe the electrode–electrolyte interface with a single-digit nanometer depth resolution and offers a wealth of insights into the evolution and Coulombic efficiency or degradation of prototype cells, provided that the spectra can be reliably interpreted in terms of local oxidation state, atomic coordination, and electronic structure about the excited atoms. Here we explore fluorine K-edge XAS of mono- (Li, Na, and K) and di-valent (Mg, Ca, and Zn) fluoride salts from a theoretical standpoint and discover a surprising level of detailed electronic structure information about these materials despite the relatively predictable oxidation state and ionicity of the fluoride anion and the metal cation. Utilizing a recently developed many-body approach based on the ΔSCF method, we calculate the XAS using density functional theory and experimental spectral profiles are well reproduced despite some experimental discrepancies in energy alignment within the literature, which we can correct for in our simulations. We outline a general methodology to explain shifts in the main XAS peak energies in terms of a simple exciton model and explain line-shape differences resulting from the mixing of core-excited states with metal d character (for K and Ca specifically). Given ultimate applications to evolving interfaces, some understanding of the role of surfaces and their terminations in defining new spectral features is provided to indicate the sensitivity of such measurements to changes in interfacial chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

In Crystallo Photochemistry: Reimagining Synthetic Tractability with Transparent Single-Crystalline Flasks

Expanding the boundaries of synthetic tractability of what molecules can be synthesized and isolated is an eternal challenge for synthetic chemists. The development of new synthetic methods and strategies enables the properties and potential functions of novel molecular targets to be experimentally evaluated. In the context of catalysis, predictable synthetic strategies are often available to access kinetically persistent intermediates such as catalyst resting states. In contrast, synthesis and characterization of the reactive intermediates are often not possible due to the fleeting lifetimes of these species. In crystallo photochemistry combines single-crystal matrix isolation with cryogenic photochemistry to enable reactive intermediates to be synthesized under conditions in which they are persistent and can be (crystallographically) characterized. This Outlook highlights key achievements of in crystallo photochemistry as well as discusses opportunities and challenges that confront realization of the potential of in crystallo synthesis to redefine the boundaries of synthetic tractability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Preferential Solute Transport in Low Permeability Zones During Spontaneous Imbibition in Heterogeneous Porous Media

Multiphase flows in porous media|and the associated solute transport processes|are controlled by a combination of gravity, capillary, and viscous forces. Geologic heterogeneity influences flow and transport processes, yet gaps exist in our understanding of how heterogeneity impacts capillary-driven transport, such as during spontaneous imbibition. Here we use positron emission tomography, combined with a newly developed method for conducting spontaneous imbibition experiments, to observe solute transport into low permeability regions during imbibition. Using an experimentally parameterized 2D numerical model, we demonstrate how capillary-driven ow near the imbibition front can carry solutes into low permeability regions. This process displaces solutes from high permeability zones while the cumulative amount of solute in low permeability zones increases- opposite of what is observed under fully saturated solute transport conditions. These results highlight the complex flow and solute transport behavior that arise during multiphase displacements in heterogeneous geologic porous media.

58 GEOSCIENCES↗
DOE OSTI2012

Progress towards the development of a realistic electron cyclotron resonance ion source extraction model

In this paper, an ongoing effort to provide a simulation and design tool for electron cyclotron resonance ion source extraction and low energy beam transport is described and benchmarked against experimental results. Utilizing the particle-in-cell code WARP, a set of scripts has been developed: A semiempirical method of generating initial conditions, a 2D-3D hybrid method of plasma extraction and a simple beam transport deck. Measured emittances and beam profiles of uranium and helium beams are shown and the influence of the sextupole part of the plasma confinement field is investigated. The results are compared to simulations carried out using the methods described above. The results show that the simulation model (with some additional refinements) represents highly charged, well-confined ions well, but that the model is less applicable for less confined, singly charged ions.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Electrical impedance tomography spectroscopy method for characterising particles in solid-liquid phase

Electrical impedance tomography (EIT) is one of the process tomography techniques to provide an on-line non-invasive imaging for multiphase flow measurement. With EIT measurements, the images of impedance real part, impedance imaginary part, phase angle, and magnitude can be obtained. However, most of the applications of EIT in the process industries rely on the conductivity difference between two phases in fluids to obtain the concentration profiles. It is not common to use the imaginary part or phase angle due to the dominant change in conductivity or complication in the use of other impedance information. In a solid-liquid two phases system involving nano- or submicro-particles, characterisation of particles (e.g. particle size and concentration) have to rely on the measurement of impedance phase angle or imaginary part. Particles in a solution usually have an electrical double layer associated with their surfaces and can form an induced electrical dipole moment due to the polarization of the electrical double layer under the influence of an alternating electric field. Similar to EIT, electrical impedance spectroscopy (EIS) measurement can record the electrical impedance data, including impedance real part, imaginary part and phase angle (θ), which are caused by the polarization of the electrical double layer. These impedance data are related to the particle characteristics e.g. particle size, particle and ionic concentrations in the aqueous medium, therefore EIS method provides a capability for characterising the particles in suspensions. Electrical impedance tomography based on EIS measurement or namely, electrical impedance tomography spectroscopy (EITS) could image the spatial distribution of particle characteristics. In this paper, a new method, including test set-up and data analysis, for characterisation of particles in suspensions are developed through the experimental approach. The experimental results on tomographic imaging of colloidal particles based on EIS measurement using a sensor of 8 electrodes are reported. Results have demonstrated the potential as well as revealed the challenge in the use of EIS and EITS for characterisation of particle in suspension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Practical uncertainty reduction and quantification in shock physics measurements

We report the development of a simple error analysis sampling method for identifying intersections and inflection points to reduce total uncertainty in experimental data. This technique was used to reduce uncertainties in sound speed measurements by 80% over conventional methods. Here, we focused on its impact on a previously published set of Mo sound speed data and possible implications for phase transition and geophysical studies. However, this technique's application can be extended to a wide range of experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Method for real-time measurement of fluctuations of the ratio of peak power to duration of high-repetition-rate ultrashort pulses

A method is proposed for estimating ratio fluctuations of the peak power to the duration of ultrashort pulses (USPs), based on the measurement of the radiation spectrum nonlinearly broadened in the Kerr medium for only four wavelengths. The method provides a fairly simple measurement processing which can be performed in real time using analogue circuitry even without the digitisation of signals, whereas the operation speed is only limited by the response time of photodetectors and analogue circuits. Numerical studies have shown the possibility of applying the method even for pulses having a substantial asymmetry and containing a significant pedestal. The use of the developed method for analysis of fluctuations of the pulse parameters of a high-power laser system has been experimentally demonstrated, with a short optical fibre section employed for spectrum broadening. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Real-time studies of ferroelectric domain switching: a review

Ferroelectric materials have been utilized in a broad range of electronic, optical, and electromechanical applications and hold the promise for the design of future high-density nonvolatile memories and multifunctional nano-devices. The applications of ferroelectric materials stem from the ability to switch polarized domains by applying an electric field, and therefore a fundamental understanding of the switching dynamics is critical for design of practical devices. In this review, we summarize the progress in the study of the microscopic process of ferroelectric domain switching using recently developed in situ transmission electron microscopy (TEM). We first briefly introduce the instrumentation, experimental procedures, imaging mechanisms, and analytical methods of the state-of-the-art in situ TEM techniques. The application of these techniques to studying a wide range of complex switching phenomena, including domain nucleation, domain wall motion, domain relaxation, domain-defect interaction, and the interplay between different types of domains, is demonstrated. The underlying physics of these dynamic processes are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Is it sensible to 'deform' dose? 3D experimental validation of dose-warping

Purpose: Strategies for dose accumulation in deforming anatomy are of interest in radiotherapy. Algorithms exist for the deformation of dose based on patient image sets, though these are sometimes contentious because not all such image calculations are constrained by physical laws. While tumor and organ motion has been a key area of study for a considerable amount of time, deformation is of increasing interest. In this work, we demonstrate a full 3D experimental validation of results from a range of dose deformation algorithms available in the public domain. Methods: We recently developed the first tissue-equivalent, full 3D deformable dosimetric phantom-'DEFGEL.' To assess the accuracy of dose-warping based on deformable image registration (DIR), we have measured doses in undeformed and deformed states of the DEFGEL dosimeter and compared these to planned doses and warped doses. In this way we have directly evaluated the accuracy of dose-warping calculations for 11 different algorithms. We have done this for a range of stereotactic irradiation schemes and types and magnitudes of deformation. Results: The original Horn and Schunck algorithm is shown to be the best performing of the 11 algorithms trialled. Comparing measured and dose-warped calculations for this method, it is found that for a 10 Multiplication-Sign 10 mm{sup 2} square field, {gamma}{sub 3%/3mm}= 99.9%; for a 20 Multiplication-Sign 20 mm{sup 2} cross-shaped field, {gamma}{sub 3%/3mm}= 99.1%; and for a multiple dynamic arc (0.413 cm{sup 3} PTV) treatment adapted from a patient treatment plan, {gamma}{sub 3%/3mm}= 95%. In each case, the agreement is comparable to-but consistently {approx}1% less than-comparison between measured and calculated (planned) dose distributions in the absence of deformation. The magnitude of the deformation, as measured by the largest displacement experienced by any voxel in the volume, has the greatest influence on the accuracy of the warped dose distribution. Considering the square field case, the smallest deformation ({approx}9 mm) yields agreement of {gamma}{sub 3%/3mm}= 99.9%, while the most significant deformation ({approx}20 mm) yields agreement of {gamma}{sub 3%/3mm}= 96.7%. Conclusions: We have confirmed that, for a range of mass and density conserving deformations representative of those observable in anatomical targets, DIR-based dose-warping can yield accurate predictions of the dose distribution. Substantial differences can be seen between the results of different algorithms indicating that DIR performance should be scrutinized before application todose-warping. We have demonstrated that the DEFGEL deformable dosimeter can be used to evaluate DIR performance and the accuracy of dose-warping results by direct measurement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

SU-E-J-233: A Facility for Radiobiological Experiments in a Large Magnetic Field

Purpose: There is considerable interest in developing medical linear accelerators with integrated image guidance by MRI. Less work has been done on the fundamental biology of cell survival in the presence of a strong magnetic field. The purpose of this work is to describe an experimental system capable of measuring cell survival response in the types of MRI-linac systems currently under development. Methods: We have integrated a cobalt irradiator with a solenoid magnet. The solenoid magnet has inner diameter of 10 cm. To enable measurement of the biological effects as a function of depth, we are utilizing the sliced gel technique, in which cells are embedded and fixed within a gelatin matrix. Irradiated cells at defined positions (sub mm resolution) can subsequently be recovered and assessed for cell survival or other biological effects. Results: The magnetic field profile in the solenoid has a peak magnetic field 36 cm below the top edge of the magnet bore and can be placed at and SAD of 100 cm. At a solenoid current of 35 A, the peak magnetic field is 0.25 T. The dose rate of the cobalt irradiator is 16 cGy/min at 100 cm SAD. EBT3 film was used to demonstrate the system functionality. It was irradiated at 1 cm depth at 100 cm SSD with a 4×4 field to 1.5 Gy in a 0.25 T magnetic field. The dose profile was similar between this film and the control exposure without magnetic field. Conclusion: Integrating a cobalt irradiator with a high field magnet is demonstrated. The magnetic field at the cobalt defining head was minimal and did not interfere with the functioning of this unit. Cell survival experiments can be reproduced exactly in the presence or absence of a magnetic field since a resistive magnet is used.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Hydroxide based Benzyltrimethylammonium degradation: Quantification of rates and degradation technique development

Anion exchange membranes (AEMs) are of interest as hydroxide conducting polymer electrolytes in electrochemical devices like fuel cells and electrolyzers. AEMs require hydroxide stable covalently tetherable cations to ensure required conductivity. Benzyltrimethylammonium (BTMA) has been the covalently tetherable cation that has been most often employed in anion exchange membranes because it is reasonably basic, compact (limited number of atoms per charge), and easily/cheaply synthesized. Several reports exist that have investigated hydroxide stability of BTMA under specific conditions, but consistency within these reports and comparisons between them have not yet been made. While the hydroxide stability of BTMA has been believed to be a limitation for AEMs, this stability has not been thoroughly reported. In this paper, we have found that several methods reported have inherent flaws in their findings due to the difficulty of performing degradation experiments at high temperature and high pH. In order to address these shortcomings, we have developed a reliable, standardized method of determining cation degradation under conditions similar/relevant to those expected in electrochemical devices. The experimental method has been employed to determine BTMA stabilities at varying cation concentrations and elevated temperatures, and has resulted in improved experimental accuracy and reproducibility. Finally and most notably, these results have shown that BTMA is quite stable at 80°C (half-life of ~4 years), a significant increase in stability over what had been reported previously.

14 SOLAR ENERGY↗
DOE OSTI2018

TOPAS-nBio: An Extension to the TOPAS Simulation Toolkit for Cellular and Sub-cellular Radiobiology

The TOPAS Monte Carlo (MC) system is used in radiation therapy and medical imaging research, having played a significant role in making Monte Carlo simulations widely available for proton therapy related research. While TOPAS provides detailed simulations of patient scale properties, the fundamental unit of the biological response to radiation is a cell. Thus, our goal was to develop TOPAS-nBio, an extension of TOPAS dedicated to advance understanding of radiobiological effects at the (sub-)cellular, (i.e., the cellular and sub-cellular) scale. TOPAS-nBio was designed as a set of open source classes that extends TOPAS to model radiobiological experiments. TOPAS-nBio is based on and extends Geant4-DNA, which extends the Geant4 toolkit, the basis of TOPAS, to include very low-energy interactions of particles down to vibrational energies, explicitly simulates every particle interaction (i.e., without using condensed histories) and propagates radiolysis products. To further facilitate the use of TOPAS-nBio, a graphical user interface was developed. TOPAS-nBio offers full track-structure Monte Carlo simulations, integration of chemical reactions within the first millisecond, an extensive catalogue of specialized cell geometries as well as sub-cellular structures such as DNA and mitochondria, and interfaces to mechanistic models of DNA repair kinetics. We compared TOPAS-nBio simulations to measured and published data of energy deposition patterns and chemical reaction rates (G values). Our simulations agreed well within the experimental uncertainties. Additionally, we expanded the chemical reactions and species provided in Geant4-DNA and developed a new method based on independent reaction times (IRT), including a total of 72 reactions classified into 6 types between neutral and charged species. Chemical stage simulations using IRT were a factor of 145 faster than with step-by-step tracking. Finally, we applied the geometric/chemical modeling to obtain initial yields of double-strand breaks (DSBs) in DNA fibers for proton irradiations of 3 and 50 MeV and compared the effect of including chemical reactions on the number and complexity of DSB induction. Over half of the DSBs were found to include chemical reactions with approximately 5% of DSBs caused only by chemical reactions. In conclusion, the TOPAS-nBio extension to the TOPAS MC application offers access to accurate and detailed multiscale simulations, from a macroscopic description of the radiation field to microscopic description of biological outcome for selected cells. TOPAS-nBio offers detailed physics and chemistry simulations of radiobiological experiments on cells simulating the initially induced damage and links to models of DNA repair kinetics.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Mitigation of Magneto Rayleigh Taylor Instability

Reported herein is a comprehensive study of magneto-Rayleigh-Taylor instability conducted at the University of Michigan, using a one mega-ampere linear transformer driver on a cylindrical thin foil. It is a combined theoretical and experimental effort, on both magnetized and nonmagnetized liners, unseeded and seeded with a helical perturbation, and for a thin foil that is stationary, imploding or exploding. Also studied is the electrothermal instability, thought to be the seed for magneto-Rayleigh-Taylor instability. These subjects are important to magnetized liner inertial fusion (MagLIF). We interpret the helical features usually observed in a magnetized cylindrical liner as a manifestation of a discrete eigenmode, from implosion to stagnation. We discover that the observed pitch angle (phi) of the helix follows the simple relation, phi = m/kR, for both MagLIF experiments at the Sandia National Laboratories, and for our experiments, where m is the azimuthal mode number, k is the axial mode number, and R is the radius of the helical feature. This discrete mode persists from implosion to explosion, even through the highly nonlinear stage where the axial perturbations clump together. When the latter occurs, we propose a simultaneous decrease of mode numbers, from (m, k) to (m/2, k/2), kinematically. We show, both theoretically and experimentally, that higher m modes are excited with higher axial magnetic field. We find that seeding is far more important than the intrinsic instability of a magnetized liner. On the electro-thermal instability, we discover that refractory metals with a low ratio of critical temperature to melting temperature (i.e. tantalum) are very robust against electrothermal instability. We perform the first experiments that show the transition of electrothermal instability from the striation to filamentation mode. We experimentally confirm the importance of surface defects in the development of the electrothermal instability. We develop and publish a fabrication method for ultra-thin metallic liners. Three (3) graduate students completed their PhD theses with the support of this grant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Materials Engineering & Manufacturing Research

The Department of Energy’s (DOE) National Energy Technology Laboratory’s (NETL) Materials Engineering and Manufacturing (MEM) Core Competency Directorate delivers functional and structural materials solutions to enable advanced energy systems and technologies. NETL is internationally recognized for its leadership and ability to design and develop materials for extreme environment applications. NETL uses a one-of-a-kind suite of computational and experimental methods for translating new material-science concepts into practical technologies, and boasts advanced tools and unique facilities, across all materials classes.<p><br></p>

Albenze, Erik↗