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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

TURBULENT GENERAL MAGNETIC RECONNECTION

Plasma flows with a magnetohydrodynamic (MHD)-like turbulent inertial range, such as the solar wind, require a generalization of general magnetic reconnection (GMR) theory. We introduce the slip velocity source vector per unit arclength of field line, the ratio of the curl of the non-ideal electric field in the generalized Ohm’s Law and magnetic field strength. It diverges at magnetic nulls, unifying GMR with null-point reconnection. Only under restrictive assumptions is the slip velocity related to the gradient of quasi-potential (which is the integral of parallel electric field along magnetic field lines). In a turbulent inertial range, the non-ideal field becomes tiny while its curl is large, so that line slippage occurs even while ideal MHD becomes accurate. The resolution is that ideal MHD is valid for a turbulent inertial range only in a weak sense that does not imply magnetic line freezing. The notion of weak solution is explained in terms of renormalization group (RG) type theory. The weak validity of the ideal Ohm’s law in the inertial range is shown via rigorous estimates of the terms in the generalized Ohm’s Law. All non-ideal terms are irrelevant in the RG sense and large-scale reconnection is thus governed solely by ideal dynamics. We discuss the implications for heliospheric reconnection, in particular for deviations from the Parker spiral model. Solar wind observations show that reconnection in a turbulence-broadened heliospheric current sheet, which is consistent with Lazarian–Vishniac theory, leads to slip velocities that cause field lines to lag relative to the spiral model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Multivariate analysis for the estimation of target localization errors in fiducial marker-based radiotherapy

Purpose: To assess the target localization error (TLE) in terms of the distance between the target and the localization point estimated from the surrogates (|TMD|), the average of respiratory motion for the surrogates and the target (|aRM|), and the number of fiducial markers used for estimating the target (n). Methods: This study enrolled 17 lung cancer patients who subsequently underwent four fractions of real-time tumor tracking irradiation. Four or five fiducial markers were implanted around the lung tumor. The three-dimensional (3D) distance between the tumor and markers was at maximum 58.7 mm. One of the markers was used as the target (P{sub t}), and those markers with a 3D |TMD{sub n}| ≤ 58.7 mm at end-exhalation were then selected. The estimated target position (P{sub e}) was calculated from a localization point consisting of one to three markers except P{sub t}. Respiratory motion for P{sub t} and P{sub e} was defined as the root mean square of each displacement, and |aRM| was calculated from the mean value. TLE was defined as the root mean square of each difference between P{sub t} and P{sub e} during the monitoring of each fraction. These procedures were performed repeatedly using the remaining markers. To provide the best guidance on the answer with n and |TMD|, fiducial markers with a 3D |aRM ≥ 10 mm were selected. Finally, a total of 205, 282, and 76 TLEs that fulfilled the 3D |TMD| and 3D |aRM| criteria were obtained for n = 1, 2, and 3, respectively. Multiple regression analysis (MRA) was used to evaluate TLE as a function of |TMD| and |aRM| in each n. Results: |TMD| for n = 1 was larger than that for n = 3. Moreover, |aRM| was almost constant for all n, indicating a similar scale for the marker’s motion near the lung tumor. MRA showed that |aRM| in the left–right direction was the major cause of TLE; however, the contribution made little difference to the 3D TLE because of the small amount of motion in the left–right direction. The TLE calculated from the MRA ({sup MRA}TLE) increased as |TMD| and |aRM| increased and adversely decreased with each increment of n. The median 3D {sup MRA}TLE was 2.0 mm (range, 0.6–4.3 mm) for n = 1, 1.8 mm (range, 0.4–4.0 mm) for n = 2, and 1.6 mm (range, 0.3–3.7 mm) for n = 3. Although statistical significance between n = 1 and n = 3 was observed in all directions, the absolute average difference and the standard deviation of the {sup MRA}TLE between n = 1 and n = 3 were 0.5 and 0.2 mm, respectively. Conclusions: A large |TMD| and |aRM| increased the differences in TLE between each n; however, the difference in 3D {sup MRA}TLEs was, at most, 0.6 mm. Thus, the authors conclude that it is acceptable to continue fiducial marker-based radiotherapy as long as |TMD| is maintained at ≤58.7 mm for a 3D |aRM| ≥ 10 mm.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Foundations of automatic feature extraction at LHC–point clouds and graphs

Abstract Deep learning algorithms will play a key role in the upcoming runs of the Large Hadron Collider (LHC), helping bolster various fronts ranging from fast and accurate detector simulations to physics analysis probing possible deviations from the Standard Model. The game-changing feature of these new algorithms is the ability to extract relevant information from high-dimensional input spaces, often regarded as “replacing the expert” in designing physics-intuitive variables. While this may seem true at first glance, it is far from reality. Existing research shows that physics-inspired feature extractors have many advantages beyond improving the qualitative understanding of the extracted features. In this review, we systematically explore automatic feature extraction from a phenomenological viewpoint and the motivation for physics-inspired architectures. We also discuss how prior knowledge from physics results in the naturalness of the point cloud representation and discuss graph-based applications to LHC phenomenology.

Bhardwaj, Akanksha↗
DOE OSTI2014

Raman microscopy of lithium-manganese-rich transition metal oxide cathodes

Lithium-rich and manganese-rich (LMR) layered transition metal (TM) oxide composites with general formula xLi 2 MnO 3 ·(1-x)LiMO 2 (M = Ni, Co, Mn) are promising cathode candidates for high energy density lithium ion batteries. Lithium-manganese-rich TM oxides crystallize as a nanocomposite layered phase whose structure further evolves with electrochemical cycling. Raman spectroscopy is a powerful tool to monitor the crystal chemistry and correlate phase changes with electrochemical behavior. While several groups have reported Raman spectra of lithium rich TM oxides, the data show considerable variability in terms of both the vibrational features observed and their interpretation. In this paper, Raman microscopy is used to investigate lithium-rich and manganese-rich TM cathodes as a function of voltage and electrochemical cycling at various temperatures. No growth of a spinel phase is observed within the cycling conditions. However, analysis of the Raman spectra does indicate the structure of LMR-NMC deviates significantly from an ideal layered phase. Finally, the results also highlight the importance of using low laser power and large sample sizes to obtain consistent data sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Applying Information Theory to Design Optimal Filters for Photometric Redshifts

In this paper we apply ideas from information theory to create a method for the design of optimal filters for photometric redshift estimation. We show the method applied to a series of simple example filters in order to motivate an intuition for how photometric redshift estimators respond to the properties of photometric passbands. We then design a realistic set of six filters covering optical wavelengths that optimize photometric redshifts for z <= 2.3 and i < 25.3. We create a simulated catalog for these optimal filters and use our filters with a photometric redshift estimation code to show that we can improve the standard deviation of the photometric redshift error by 7.1% overall and improve outliers 9.9% over the standard filters proposed for the Large Synoptic Survey Telescope (LSST). We compare features of our optimal filters to the LSST and find that the LSST filters incorporate key features for optimal photometric redshift estimation. Finally, we describe how information theory can be applied to a range of optimization problems in astronomy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Salt Sample Statistical Study

Historically there has, at times, been large variability in measured uranium concentration amongst salt samples taken at the same time from the electrorefiner with relative standard deviations ranging from 0.59% up to a high of 114%. This has led to uncertainty in the actual uranium content of the salt. A series of surrogate experiments were performed with gadolinium to study the effects of Li2O, Gd2O3, and Gd metal additions to an LiCl-KCl-GdCl3 salt on the gadolinium content of the salt. These experiments showed no increase in salt sample variability following the additions of the mentioned species, indicating that the carryover of these species from the oxide reduction process may not lead to the historic variability issues.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

Mechanistic understanding of large molecule conversion and the discovery of suitable heterogeneous catalysts have been lagging due to the combinatorial inventory of intermediates and the inability of humans to enumerate all structures. Here, we introduce an automated framework to predict stable configurations on transition metal surfaces and demonstrate its validity for adsorbates with up to 6 carbon and oxygen atoms on 11 metals, enabling the exploration of ~10 8 potential configurations. It combines a graph enumeration platform, force field, multi-fidelity DFT calculations, and first-principles trained machine learning. Clusters in the data reveal groups of catalysts stabilizing different structures and expose selective catalysts for showcase transformations, such as the ethylene epoxidation on Ag and Cu and the lack of C-C scission chemistry on Au. Deviations from the commonly assumed atom valency rule of small adsorbates are also manifested. This library can be leveraged to identify catalysts for converting large molecules computationally.

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

TH-AB-201-11: Small-Field Beam Quality Corrections and Their Clinical Impact for Flattened and Unflattened Fields of the TrueBeam

Purpose: To determine small-field beam quality correction factors for several detectors used with flattened and unflattened beams of the Varian TrueBeam accelerator, and to quantify the clinical impact of these corrections through a treatment planning study. Methods: Small-field beam quality correction factors were measured and simulated in EGSnrc for several microchambers and diodes. The Exradin W1 plastic scintillation detector was used as a reference for the measured results, and its response was validated using alanine measurements traceable to a primary standard. Symmetric, jaw-defined field sizes ranging from 6 mm to 10 cm were used. Twelve hypofractionated clinical cases were then recalculated and/or reoptimized using beam models that were modified based on the resulting output factors. Three-dimensional dose distributions and cumulative dose-volume-histogram plots were compared between the models. The impact of these measurements on the flattening-filter-scatter-source (FFSS) model, and its subsequent effect on treatment plans, was also investigated. Results: The diodes exhibited over-response in small fields, whereas the microchambers tended to under-respond as field size decreased. Field-size-dependent effects were less significant for the flattening-filter-free beams (i.e., corrections were closer to unity) than for flattened fields of the same size. Recalculated and reoptimized plans displayed varying levels of deviation from the original dose distributions, with larger discrepancies at effective jaw settings of 3×3 cm{sup 2} or smaller. Dose distributions calculated using uncorrected microchamber output factors and/or modified FFSS showed large discrepancies in the low-dose regions, which manifested as DVH changes for the organs at risk (OAR). Conclusion: Field-size-dependent beam quality corrections were measured and simulated for ionization chambers and diodes typically used in small fields. Plans calculated with models based on these measured data showed dosimetric deviations mainly out of field, which affected OAR dose metrics. Accordingly, these beam quality corrections should be accounted for during commissioning to ensure greater treatment planning accuracy.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Microfocus diffraction from different regions of a protein crystal: structural variations and unit-cell polymorphism

Real macromolecular crystals can be non-ideal in a myriad of ways. This often creates challenges for structure determination, while also offering opportunities for greater insight into the crystalline state and the dynamic behavior of macromolecules. To evaluate whether different parts of a single crystal of a dynamic protein, EutL, might be informative about crystal and protein polymorphism, a microfocus X-ray synchrotron beam was used to collect a series of 18 separate data sets from non-overlapping regions of the same crystal specimen. A principal component analysis (PCA) approach was employed to compare the structure factors and unit cells across the data sets, and it was found that the 18 data sets separated into two distinct groups, with large R values (in the 40% range) and significant unit-cell variations between the members of the two groups. This categorization mapped the different data-set types to distinct regions of the crystal specimen. Atomic models of EutL were then refined against two different data sets obtained by separately merging data from the two distinct groups. A comparison of the two resulting models revealed minor but discernable differences in certain segments of the protein structure, and regions of higher deviation were found to correlate with regions where larger dynamic motions were predicted to occur by normal-mode molecular-dynamics simulations. The findings emphasize that large spatially dependent variations may be present across individual macromolecular crystals. This information can be uncovered by simultaneous analysis of multiple partial data sets and can be exploited to reveal new insights about protein dynamics, while also improving the accuracy of the structure-factor data ultimately obtained in X-ray diffraction experiments.

Thompson, Michael C. (ORCID:0000000260992027)↗
DOE OSTI2017

Pseudospectral Maxwell solvers for an accurate modeling of Doppler harmonic generation on plasma mirrors with particle-in-cell codes

With the advent of petawatt class lasers, the very large laser intensities attainable on target should enable the production of intense high-order Doppler harmonics from relativistic laser-plasma mirror interactions. At present, the modeling of these harmonics with particle-in-cell (PIC) codes is extremely challenging as it implies an accurate description of tens to hundreds of harmonic orders on a broad range of angles. In particular, we show here that due to the numerical dispersion of waves they induce in vacuum, standard finite difference time domain (FDTD) Maxwell solvers employed in most PIC codes can induce a spurious angular deviation of harmonic beams potentially degrading simulation results. This effect was extensively studied and a simple toy model based on the Snell-Descartes law was developed that allows us to finely predict the angular deviation of harmonics depending on the spatiotemporal resolution and the Maxwell solver used in the simulations. Our model demonstrates that the mitigation of this numerical artifact with FDTD solvers mandates very high spatiotemporal resolution preventing realistic three-dimensional (3D) simulations even on the largest computers available at the time of writing. Finally, we finally show that nondispersive pseudospectral analytical time domain solvers can considerably reduce the spatiotemporal resolution required to mitigate this spurious deviation and should enable in the near future 3D accurate modeling on supercomputers in a realistic time to solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Are turbulence effects on droplet collision–coalescence a key to understanding observed rain formation in clouds?

Rain formation is a critical factor governing the lifecycle and radiative forcing of clouds and therefore it is a key element of weather and climate. Cloud microphysics–turbulence interactions occur across a wide range of scales and are challenging to represent in atmospheric models with limited resolution. Based on past experiments and idealized numerical simulations, it has been postulated that cloud turbulence accelerates rain formation by enhancing drop collision–coalescence. We provide substantial evidence for significant impacts of turbulence on the evolution of cloud droplet size distributions and rain formation by comparing high-resolution observations of cumulus congestus clouds with state-of-the-art large-eddy simulations coupled with a Lagrangian particle-based microphysics scheme. Turbulent coalescence must be included in the model to accurately represent the observed drop size distributions, especially for drizzle drop sizes at lower heights in the cloud. Turbulence causes earlier rain formation and greater rain accumulation compared to simulations with gravitational coalescence only. The observed rain size distribution tail just above cloud base follows a power law scaling that deviates from theoretical scalings considering either a purely gravitation collision kernel or a turbulent kernel neglecting droplet inertial effects, providing additional evidence for turbulent coalescence in clouds. In contrast, large aerosols acting as cloud condensation nuclei (“giant CCN”) do not significantly impact rain formation owing to their long timescale to reach equilibrium wet size relative to the lifetime of rising cumulus thermals. Overall, turbulent drop coalescence exerts a dominant influence on rain initiation in warm cumulus clouds, with limited impacts of giant CCN.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Rapid Commissioning of Large Machine Tools Using Finite Element-Based Correction of Geometric Errors

Large computer numerical control (CNC) machine tools derive their stiffness from monolithic cast iron bases or weldments that are sometimes integral to machine motion systems like box ways or guideways. However, the sheer size of castings and even floor flatness deviations result in dimensional errors in these systems, which manifest as machine motion errors. Typical geometric alignment processes rely on an iterative approach, where measurements are taken to assess alignment (straightness, squareness, and parallelism), followed by adjustment of the machine supports (fixators or leveling pads), which can take weeks even for an experienced operator. Conversely, a novel method is proposed to shorten the correction time by eliminating the trial-and-error process in favor of a more deterministic approach guided by a finite element (FE) method. A feasibility study is conducted on a CNC polymer hybrid machine, with a steel weldment frame, supported by six leveling pads. An FE model of the frame is utilized to obtain recommended leveling pad adjustments, based on measurement of machine errors taken using a laser tracker. After a single adjustment cycle, measurements reveal that geometric errors of the machine tool are reduced from 2.22 mm of flatness deviation to 0.32 mm, achieving an 85.6% reduction. Furthermore, the entire process including measurement, adjustment, and assessment is completed in just 6 h by two operators who are not professional service engineers. In conclusion, this methodology demonstrates feasibility for scaling up, especially to large, high-precision CNC machine tools with bases mounted by fixators, offering the capability for bidirectional adjustment.

42 ENGINEERING↗
DOE OSTI2020

A Study on Modeled Wind Speed Errors Using the U.S. Department of Energy Buoys

Pacific Northwest National Laboratory (PNNL) operates two AXYS WindSentinel lidar buoys for the U.S. Department of Energy’s Wind Energy Technologies Office. The purpose of these buoys is to collect hub-height winds and supporting meteorological and oceanographic information to facilitate the development of wind energy in the U.S. waters. The first deployment for one buoy was off the coast of Virginia from December 2014 to May 2016, and the first deployment for the other buoy was off the coast of New Jersey from November 2015 until February 2017. This report describes recent analysis of data collected during these first two deployments. Specifically, we compare hub-height wind speed estimates using Monin-Obukhov Similarity Theory (MOST) to the lidar measurements, and examine how those errors are affected by wind direction, atmospheric stability, wind-wave direction differences, and various measures of the wave-state. The comparisons are done using standard similarity functions based on MOST; including the Businger - Dyer, the Beljaars & Holtslag and the Vickers & Mahrt similarity functions. All models produce large errors over the range of atmospheric stabilities that were observed, with the largest errors occurring for stable flows. The Vickers & Mahrt function resulted in the largest overall bias and standard deviation, while Beljaars & Holtslag function gave the smallest bias and standard deviation due to its better performance under stable conditions. The models perform best under unstable conditions, but even in this regime there is a consistent overestimation of the wind speed of between roughly 0 to 1 ms -1 compared to the lidar measurements. We identify specific metocean conditions (i.e. stability and wind and wave directions) at each of the deployment locations that lead to large errors in MOST predictions. Finally, a coupled ocean-atmosphere model framework was investigated to simulate large errors in weather research forecasting (WRF).

17 WIND ENERGY↗
DOE OSTI2021

Search for resonant and nonresonant new phenomena in high-mass dilepton final states at $\sqrt{s}$ = 13 TeV

A search is presented for physics beyond the standard model (SM) using electron or muon pairs with high invariant mass. A data set of proton-proton collisions collected by the CMS experiment at the LHC at √s = 13 TeV from 2016 to 2018 corresponding to a total integrated luminosity of up to 140 fb -1 is analyzed. No significant deviation is observed with respect to the SM background expectations. Upper limits are presented on the ratio of the product of the production cross section and the branching fraction to dileptons of a new narrow resonance to that of the Z boson. These provide the most stringent lower limits to date on the masses for various spin-1 particles, spin-2 gravitons in the Randall-Sundrum model, as well as spin-1 mediators between the SM and dark matter particles. Lower limits on the ultraviolet cutoff parameter are set both for four-fermion contact interactions and for the Arkani-Hamed, Dimopoulos, and Dvali model with large extra dimensions. Lepton flavor universality is tested at the TeV scale for the first time by comparing the dimuon and dielectron mass spectra. No significant deviation from the SM expectation of unity is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Characterizing agricultural impacts of recent large-scale US droughts and changing technology and management

Process-based agricultural models, applied in novel ways, can reproduce historical crop yield anomalies in the US, with median absolute deviation from observations of 6.7% at national-level and 11% at state-level. In seasons for which drought is the overriding factor, performance is further improved. Historical counterfactual scenarios for the 1988 and 2012 droughts show that changes in agricultural technologies and management have reduced system-level drought sensitivity in US maize production by about 25% in the intervening years. Finally, we estimate the economic costs of the two droughts in terms of insured and uninsured crop losses in each US county (for a total, adjusted for inflation, of 9 billion USD in 1988 and 21.6 billion USD in 2012). We compare these with cost estimates from the counterfactual scenarios and with crop indemnity data where available. Model-based measures are capable of accurately reproducing the direct agro-economic losses associated with extreme drought and can be used to characterize and compare events that occurred under very different conditions. This study suggests new approaches to modeling, monitoring, forecasting, and evaluating drought impacts on agriculture, as well as evaluating technological changes to inform adaptation strategies for future climate change and extreme events.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Cosmological perturbation and matter power spectrum in bimetric massive gravity

We discuss the linear perturbation equations with the synchronous gauge in a minimal scenario of the bimetric massive gravity theory. We find that the matter density perturbation and matter power spectrum are suppressed. We also examine the ghost and stability problems and show that the allowed deviation of this gravitational theory from the cosmological constant is constrained to be smaller than O(10{sup −2}) by the large scale structure observational data.

79 ASTRONOMY AND ASTROPHYSICS↗