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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SU-E-T-98: An Analysis of TG-51 Electron Beam Calibration Correction Factor Uncertainty

Purpose: To analyze the uncertainty of the TG-51 electron beam calibration correction factors for farmer type ion chambers currently used by institutions visited by IROC Houston. Methods: TG-51 calibration data were collected from 181 institutions visited by IROC Houston physicists for 1174 and 197 distinct electron beams from modern Varian and Elekta accelerators, respectively. Data collected and analyzed included ion chamber make and model, nominal energy, N{sub D,w}, I{sub 50}, R{sub 50}, k’R{sub 50}, d{sub ref}, P{sub gr} and pdd(d{sub ref}). k’R{sub 50} data for parallel plate chambers were excluded from the analysis. Results: Unlike photon beams, electron nominal energy is a poor indicator of the actual energy as evidenced by the range of R{sub 50} values for each electron beam energy (6–22MeV). The large range in R{sub 50} values resulted k’R{sub 50} values with a small standard deviation but large range between maximum value used and minimum value (0.001–0.029) used for a specific Varian nominal energy. Varian data showed more variability in k’R{sub 50} values than the Elekta data (0.001–0.014). Using the observed range of R{sub 50} values, the maximum spread in k’R{sub 50} values was determined by IROC Houston and compared to the spread of k’R{sub 50} values used in the community. For Elekta linacs the spreads were equivalent, but for Varian energies of 6 to 16MeV, the community spread was 2 to 6 times larger. Community P{sub gr} values had a much larger range of values for 6 and 9 MeV values than predicted. The range in Varian pdd(d{sub ref} ) used by the community for low energies was large, (1.4–4.9 percent), when it should have been very close to unity. Exradin, PTW Roos and PTW farmer chambers N{sub D,w} values showed the largest spread, ≥11 percent. Conclusion: While the vast majority of electron beam calibration correction factors used are accurate, there is a surprising spread in some of the values used.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Testing quantum gravity using pulsed optomechanical systems

An interesting idea, dating back to Feynman [Report from Chapel Hill Conference, edited by C. M. DeWitt and D. Rickles (1957)], argues that quantum mechanics may break down for large masses if one entertains the possibility that gravity can be “classical,” thereby leading to predictions different from conventional low-energy quantum gravity. Despite the technical difficulty in testing such deviations, a large number of experimental proposals have been put forward due to the high level of fundamental interest. Here, we consider the Schrödinger-Newton (SN) theory and the correlated worldline (CWL) theory, and show that they can be distinguished from conventional quantum mechanics, as well as each other, by performing pulsed optomechanics experiments. For CWL specifically we develop a framework resembling the commonly used “Heisenberg-picture” treatment of coupled oscillators, allowing one to perform simple calculations for such systems without delving into the deeper path-integral formalism. We find that discriminating between the theories will be very difficult until experimental control over low frequency quantum optomechanical systems is pushed much further. Furthermore, the predicted departures of SN and CWL from quantum mechanics occur at the same scale, so both alternative models could in principle be probed by a single experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Identifying High Ionic Conductivity Compositions of Ionic Liquid Electrolytes Using Features of the Solvation Environment

Binary mixtures of ionic liquids with molecular solvents are gaining interest in electrochemical applications due to the improvement in their performance over neat ionic liquids. Dilution with suitable molecular solvents can reduce the viscosity and facilitate faster diffusion of ions, thereby yielding substantially higher ionic conductivity than that for a pure ionic liquid. Although viscosity and diffusion coefficients typically behave as monotonic functions of concentration, ionic conductivity often passes through a peak value at an optimum molar ratio of the molecular solvent to the ionic liquid. The ionic conductivity maximum is generally explained in terms of a balance between the ease of charge transport and the concentration of the charge carriers. In this work, fluctuation in the local environment surrounding an ion is invoked as a plausible explanation for the ionic conductivity mechanism with a binary mixture of 1-ethyl-3-methylimidazolium tetrafluoroborate and ethylene glycol as an example. The magnitude of the dynamism in the local environment is captured by measuring the spatial and temporal features of the solvation environment. Standard deviation in the number of ions in the solvation environment serves as a spatial feature, while the cage correlation lifetimes for oppositely charged ions within the first solvation shell serve as a temporal feature. Large standard deviations in the cluster ion population and short cage correlation lifetimes are indicators of highly dynamic ionic environment at the molecular level and consequently yield high ionic conductivity. Such compositions were found to be in good agreement with the optimum ionic liquid mole fractions obtained through experimental measurement. Short cage correlation lifetimes enable the identification of optimum mixture compositions using simulation trajectories significantly shorter than those required to implement the Nernst–Einstein or Einstein formalisms for calculating ionic conductivity. We validated the applicability of this approach across force fields and in six ionic liquid-molecular solvent electrolytes formed with combination of cations, anions, and solvents. We offer a computationally efficient approach of screening ionic liquid-molecular solvent binary mixture electrolytes to identify molar ratios that yield high ionic conductivity.

25 ENERGY STORAGE↗
DOE OSTI2015

SU-E-T-401: Evaluation of TG-43 Dose Calculation Accuracy for SAVI-Based Accelerated Partial Breast Irradiation (APBI) Via Monte Carlo Simulations

Purpose: The current standard TG-43 dose calculation method for SAVI-based Accelerated Partial Breast Irradiation (APBI) assumes an ideal geometry of infinite homogeneous water. However, in SAVI treatments, the air cavity inside the device and the short source-to-skin distance raise concerns about the dose accuracy of the TG-43 method. This study is to evaluate TG-43 dose calculation accuracy in SAVI treatments using Monte Carlo (MC) simulations. Methods: We recalculated the dose distributions of 15 APBI patients treated with SAVI devices, including five cases with a size of 6–1, five with 8−1 and five with 10−1, using our in-house developed fast MC dose package for HDR brachytherapy (gBMC). A phase-space file was used to model the Ir-192 HDR source. For each case, the patient CT was converted into a voxelized phantom and the dwell positions and times were extracted from treatment plans for MC dose calculations. Clinically relevant dosimetric parameters of the recalculated dose were compared to those computed via the TG-43 approach. Results: A systematic overestimation of doses was found for the 15 cases in TG-43 results, with D90, V150, and V200 for PTV-eval 2.8±1.8%, 2.0±2.2%, and 1.8±3.5% higher than MC results. TG-43 also overestimated the dose to skin with the maximum dose 4.4±8.4% higher on average. The relatively large standard deviation seen in the difference of maximum skin dose is partially ascribed to the statistical uncertainty of MC simulations when computing the maximum dose. It took gBMC ∼1 minute to compute dose for a SAVI plan. Conclusion: The high efficiency of our gBMC package facilitated the studies with a relatively large number of cases. An overestimation of TG-43 doses was found when using this MC package to recompute doses in SAVI cases. Clinical utilization of TG-43 dose calculation method in this scenario should be aware of this fact.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Spin and charge density waves in quasi-one-dimensional KMn 6 Bi 5

The recent observation that pressure could suppress antiferromagnetic (AFM) order in quasi-one-dimensional AMn 6 Bi 5 Mn-cluster chain materials (A=Na, K, Rb, and Cs) and lead to a superconducting dome offers an alternative Mn-based class of materials with which to study unconventional superconductivity. Using neutron diffraction, we elucidate the exact nature of the previously unknown AFM ground state of KMn 6 Bi 5 and report finding transverse incommensurate spin density waves (SDWs) for the Mn atoms with a propagating direction along the chains. The SDWs have distinct refined amplitudes of ~2.46μ B for the Mn atoms in the pentagons and ~0.29μ B with a large standard deviation for Mn atoms at the center between the pentagons. AFM coupling dominates both the nearest-neighbor Mn-Mn interactions within the pentagon and next-nearest-neighbor Mn-Mn interactions out of the pentagon (along the propagating wave). The SDWs exhibit both local and itinerant characteristics potentially due to cooperative interactions between local magnetic exchange and conduction electrons. Single crystal x-ray diffraction below the AFM transition revealed satellite peaks originating from charge density waves along the chain direction with a q vector twice as large as that of the SDW, pointing to a strong real space coupling between them. Additionally, we report a significant magnetoelastic effect during the AFM transition, especially along the chain direction, observed in temperature-dependent x-ray powder diffraction. Our work not only reveals fascinating intertwined spin, charge, and lattice orders in one-dimensional KMn 6 Bi 5 , but also provides an essential piece of information on its magnetic structure to understand the mechanism of superconductivity in this Mn-based family.

1-dimensional systems↗
DOE OSTI2022

Propagation of non-Gaussian voltage angle fluctuations in high-voltage power grids

Recent measurements have reported non-Gaussian tails in the distribution of frequency data in electric power grids. Large frequency deviations may induce grid instabilities and it is therefore crucial to understand how noise disturbances with long, non-Gaussian tails propagate. Here, we investigate how fluctuations in power feed-in, characterized by non-zero cumulants of their distribution, propagate through high-voltage power grids. Unlike previous investigations which focused on the white-noise limit, we consider the limit of long noise correlation time, where power feed-in fluctuates over times longer than the inherent dynamical time scales of the grid - the relevant regime for large-scale, high-voltage distribution grids. In this work, we show that in this limit, the skewness and kurtosis of the power feed-in distribution propagate similarly as its variance, independently of the distribution of inertia. Non-Gaussianities from individual sources of noise therefore persist throughout the entire network. This finding is corroborated by numerical results on a realistic model of the synchronous grid of continental Europe.

42 ENGINEERING↗
DOE OSTI2016

TH-CD-209-07: Preliminary Experimental Comparison of Spot- and Continuous Line Scanning with Or Without Rescanning for Gated Proton Therapy

Purpose: We aim to compare the performance of discrete spot- or continuous line scanning combined with rescanning in mitigating residual organ motion during gated proton therapy treatments. Methods: The Quasar respiratory phantom was used to move a 2D scintillation detector on a linear trajectory with sinusoidal motion pattern (sin{sup 4}), 20 mm peak-to-peak amplitude and 5 sec period. Its motion was monitored using a customized solution based on optical tracking technology. We compared spot and line scanning plans for a monoenergetic 150 MeV circular field, 50.4 mm radius at isocenter. Transverse dose distributions at 13 cm depth in PMMA (15.47 mm water equivalent) were measured to compare three options for motion mitigation: rescanning (10× factor), gating and their combination. The gating window was centered in the trajectory plateau to simulate end-exhale gated treatment in presence of 2 mm and 4 mm residual motion, parallel or perpendicular to the primary scanning direction. Results: When the target moves perpendicular to the primary scanning direction, large dose deviations are measured (γ3%/3mm=47%) without mitigation techniques. Beam gating combined with rescanning restores target coverage (γ3%/3mm=91%). For parallel target motion, observed dose distortions in the non-compensated irradiation are smaller (γ3%/3mm=77%). Beam gating alone recovers the 100% gamma pass-rate at 3%/3mm. Continuous line scanning reduces delivery time by up to 60% with respect to discrete spot scanning in presence of motion mitigation, and improves homogeneity when rescanning is applied (up to 20%, perpendicular motion, 4 mm residual motion). Conclusion: The direction of motion has a large impact on the target dose coverage. Nevertheless, even in the worst case scenario, gating combined with rescanning could mitigate the impact of motion on dose deposition. Moreover, continuous line rescanning improves the robustness against residual motion in the gating window. This study has received funding from the European Community’s Seventh Framework Programme (FP7/2007–2013) under grant agreement n.290605 (PSI-FELLOW/COFUND) and ‘Giuliana and Giorgio Stefanini Foundation’.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

The CAI Database: 26 Al– 26 Mg Isotope Systematics

We present a publicly available calcium–aluminum-rich inclusion (CAI) database that focuses on the initial 26 Al/ 27 Al 0 ratio in CAIs, designed in a way that researchers in cosmochemistry and astrophysics may find useful. To date, the database contains 497 CAIs from 75 peer-reviewed papers. The CAIs are from all chondrite groups and cover different CAI types, textures, and sizes. The database includes the paper; the host meteorite; the CAI name and type; the 26 Al/ 27 Al 0 , δ 26 Mg$^*_0$, and δ 25 Mg values and their uncertainties; the number of regression points; the maximum 27 Al/ 24 Mg; the mean-squared weighted deviation; the CAI size; and CAI descriptions. We grouped the CAIs in different ways to discuss 26 Al/ 27 Al 0 ratio distributions with implications for the CAI formation timeline. Overall, we agree with previous authors that CAIs have a bimodal 26 Al distribution: CAIs with robust isochrons (n = 151) have a median 26 Al/ 27 Al 0 = 4.8 × 10 −5 (with a 1σ standard error of 0.1), while those with isotopic anomalies (n = 87) have a median 26 Al/ 27 Al 0 = 0.3 × 10 −5 (with a 1σ standard error of 0.2). However, the large standard deviation of both groups (1.3 and 2.3, respectively) indicates that the 26 Al/ 27 Al 0 values scatter significantly within each population. CAI types and groups can have distinct 26 Al/ 27 Al 0 and δ 26 Mg$^*_0$, but the unmelted inclusions (n = 33) have the highest median 26 Al/ 27 Al 0 = 5.1 × 10 −5 and a low median δ 26 Mg$^*_0$ = −0.05‰. We find slightly different 26 Al/ 27 Al 0 distributions between CAI chondrite types, but no differences between petrographic types or sizes. These observations can help us to understand CAI formation in the context of astrophysical models.

Astronomy and AstroPhysics↗
DOE OSTI2015

Cascading dust inflation in Born-Infeld gravity

In the framework of Born-Infeld inspired gravity theories, which deviates from General Relativity (GR) in the high curvature regime, we discuss the viability of Cosmic Inflation without scalar fields. For energy densities higher than the new mass scale of the theory, a gravitating dust component is shown to generically induce an accelerated expansion of the Universe. Within such a simple scenario, inflation gracefully exits when the GR regime is recovered, but the Universe would remain matter dominated. In order to implement a reheating era after inflation, we then consider inflation to be driven by a mixture of unstable dust species decaying into radiation. Because the speed of sound gravitates within the Born-Infeld model under consideration, our scenario ends up being predictive on various open questions of the inflationary paradigm. The total number of e-folds of acceleration is given by the lifetime of the unstable dust components and is related to the duration of reheating. As a result, inflation does not last much longer than the number of e-folds of deceleration allowing a small spatial curvature and large scale deviations to isotropy to be observable today. Energy densities are self-regulated as inflation can only start for a total energy density less than a threshold value, again related to the species' lifetime. Above this threshold, the Universe may bounce thereby avoiding a singularity. Another distinctive feature is that the accelerated expansion is of the superinflationary kind, namely the first Hubble flow function is negative. We show however that the tensor modes are never excited and the tensor-to-scalar ratio is always vanishing, independently of the energy scale of inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Double Paddle‐Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte

Abstract Antiperovskite structure compounds (X 3 AB, where X is an alkali cation and A and B are anions) have the potential for highly correlated motion between the cation and a cluster anion on the A or B site. This so‐called “paddle‐wheel” mechanism may be the basis for enhanced cation mobility in solid electrolytes. Through combined experiments and modeling, the first instance of a double paddle‐wheel mechanism, leading to fast sodium ion conduction in the antiperovskite Na 3− x O 1− x (NH 2 ) x (BH 4 ), is shown. As the concentration of amide (NH 2 − ) cluster anions is increased, large positive deviations in ionic conductivity above that predicted from a vacancy diffusion model are observed. Using electrochemical impedance spectroscopy, powder X‐ray diffraction, synchrotron X‐ray diffraction, neutron diffraction, ab initio molecular dynamics simulations, and NMR, the cluster anion rotational dynamics are characterized and it is found that cation mobility is influenced by the rotation of both NH 2 − and BH 4 − species, resulting in sodium ion conductivity a factor of 10 2 higher at x = 1 than expected for the vacancy mechanism alone. Generalization of this phenomenon to other compounds could accelerate fast ion conductor exploration and design.

25 ENERGY STORAGE↗
DOE OSTI2023

Residuals-based distributionally robust optimization with covariate information

We consider data-driven approaches that integrate a machine learning prediction model within distributionally robust optimization (DRO) given limited joint observations of uncertain parameters and covariates. Our framework is flexible in the sense that it can accommodate a variety of regression setups and DRO ambiguity sets. We investigate asymptotic and finite sample properties of solutions obtained using Wasserstein, sample robust optimization, and phi-divergence-based ambiguity sets within our DRO formulations, and explore cross-validation approaches for sizing these ambiguity sets. Through numerical experiments, we validate our theoretical results, study the effectiveness of our approaches for sizing ambiguity sets, and illustrate the benefits of our DRO formulations in the limited data regime even when the prediction model is misspecified.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Determination of Thermodynamic Properties of Si-B Alloys

This study establishes the thermodynamic properties of the Si-B binary alloy system. The electromotive force (emf) as a function of temperature (823 K to 923 K) was measured using solid-state electrochemical cells, represented as(−) Pt,Ar/{Si∥CaF_2∥} {Si−B(alloy)}/Ar,Pt(+) Using the experimental emf data obtained from the solid-state heterogeneous phase equilibrium, the activities of Si and B in Si-B alloys were calculated. The integral Gibbs energy of mixing (ΔG{sup M}) of alloys were calculated from the activity of Si and B. A large negative deviation from ideality was found for the integral Gibbs energy of mixing (ΔG{sup M}) of the binary Si-B system. From the activities of Si and B, the Gibbs energies of formation (ΔG{sub f}{sup 0}) of phases present were calculated. The ΔG{sub f}{sup 0} of SiB{sub 3}, the most thermodynamically stable phase, was calculated as − 13.13 ± 0.19 kJ/mole-atoms at 923 K. The heterogeneous phases and microstructure after the equilibrium study of the electrode were characterized using XRD, SEM, and EDS analyses.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of heat treatment on the microstructure of medium burn-up U-Mo monolithic fuel foils

Using scanning electron microscopy (SEM), this study evaluates the microstructure evolution of U-Mo fuel foils made with and without heat treatment at medium burn-up (of approximately 5 x 10 21 f/cm 3 ). The impact of annealing treatments on critical microstructural properties of the U-Mo fuel foils, including porosity, grain structure, Mo homogeneity, and fuel interaction with the Zr interlayer, was examined using large area lift outs (LALOs). The heat-treated specimens presented less grain refining at these burnups when compared to the un-heated specimens. Grain refinement was associated with porosities and fission products precipitation. Heat treatment can reduce fuel swelling during irradiation. Chemical inhomogeneity (Mo banding) was found to persist in the un-heated samples but was not present in the heat-treated samples. Thus, heat-treated U-Mo foils allows for more predictable fuel behavior under irradiation with respect to un-heated foils. The U-Mo and Zr interaction layer appears to be thicker and more continuous in the heat-treated sample which has been associated with stronger interface integrity during irradiation, as also observed in previous studies. These observations may indicate an overall improved performance of heat-treated fuel foil in a reactor. Further, the effect of local burn-up on grain size/refinement and porosities in each LALO specimen, sampled from different positions in the fuel foil, was difficult to analyze due to the large standard deviation of these parameters. Finally, evidence of grain refinement by polygonization may be present in these specimens.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

In situ contact angle measurements of liquid CO 2 , brine, and Mount Simon sandstone core using micro X-ray CT imaging, sessile drop, and Lattice Boltzmann modeling

Three techniques to measure and understand the contact angle, θ, of a CO 2 /brine/rock system relevant to geologic carbon storage were performed with Mount Simon sandstone. Traditional sessile drop measurements of CO 2 /brine on the sample were conducted and a water-wet system was observed, as is expected. A novel series of measurements inside of a Mount Simon core, using a micro X-ray computed tomography imaging system with the ability to scan samples at elevated pressures, was used to examine the θ of residual bubbles of CO 2 . Within the sandstone core the matrix appeared to be neutrally wetting, with an average θ around 90°. A large standard deviation of θ (20.8°) within the core was also observed. To resolve this discrepancy between experimental measurements, a series of Lattice Boltzmann model simulations were performed with differing intrinsic θ values. The model results with a θ = 80° were shown to match the core measurements closely, in both magnitude and variation. The small volume and complex geometry of the pore spaces that CO 2 was trapped in is the most likely explanation of this discrepancy between measured values, though further work is warranted.

42 ENGINEERING↗
DOE OSTI2016

Computational study of the shock driven instability of a multiphase particle-gas system

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a time leaving additional parametric combinations for future work. In this work, the simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Sb-induced strain fluctuations in a strained layer superlattice of InAs/InAsSb

Here, we show that Sb substitution for As in a MBE grown InAs/InAsSb strained layer superlattice (SLS) is accompanied by significant strain fluctuations. The SLS was observed using scanning transmission electron microscopy along the [100] zone axis where the cation and anion atomic columns are separately resolved. Strain analysis based on atomic column positions reveals asymmetrical transitions in the strain profile across the SLS interfaces. The averaged strain profile is quantitatively fitted to the segregation model, which yields a distribution of Sb in agreement with our scanning tunneling microscopy result. The subtraction of the calculated strain reveals an increase in strain fluctuations with the Sb concentration, as well as isolated regions with large strain deviations extending spatially over ~1 nm, which suggest the presence of point defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Cryogenic and Temperature-Dependent Photoelectron Spectroscopy of Metal Complexes

Negative ion photoelectron spectroscopy (NIPES) coupled with electrospray ionization (ESI) has been proved to be a powerful gas-phase spectroscopic tool for characterizing electronic structures and chemical bonding of a variety of cluster anions and corresponding neutral radicals involved in the condensed phase reactions and transformations. Since the acquisition of cryogenic and temperature-controlling capabilities, broader range of research scope has been covered. This review summarizes our recent investigations on metal complexes employing cryogenic ESI-NIPES that provide us essential information towards understanding complicated condensed phase reactions including hydrocarbon activations and electron transfer reactions, and afford us spectroscopic probe of highly reactive transient species and intimate redox pairs. Special attention has been drawn to connect gas phase photodetachment processes with solution phase redox reactions. Photodetachment of transition metal-EDTA complexes has been systematically investigated to model the sequential oxidation reactions of these species in solutions. The obtained gas phase electron affinity (EA) is compared with the solution redox potential (E1/2) and the metal ionization potential (IP) for several series of homologous metal complexes to emphasize their intrinsic correlations with deviations being largely modulated by different degrees of ligand participations.

Yuan, Qinqin↗