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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

WE-G-BRD-04: BEST IN PHYSICS (JOINT IMAGING-THERAPY): An Integrated Model-Based Intrafractional Organ Motion Tracking Approach with Dynamic MRI in Head and Neck Radiotherapy

Purpose: In-treatment dynamic cine images, provided by the first commercially available MRI-guided radiotherapy system, allow physicians to observe intrafractional motion of head and neck (H&N) internal structures. Nevertheless, high anatomical complexity and relatively poor cine image contrast/resolution have complicated automatic intrafractional motion evaluation. We proposed an integrated model-based approach to automatically delineate and analyze moving structures from on-board cine images. Methods: The H&N upper airway, a complex and highly deformable region wherein severe internal motion often occurs, was selected as the target-to-be-tracked. To reliably capture its motion, a hierarchical structure model containing three statistical shapes (face, face-jaw, and face-jaw-palate) was first built from a set of manually delineated shapes using principal component analysis. An integrated model-fitting algorithm was then employed to align the statistical shapes to the first to-be-detected cine frame, and multi-feature level-set contour propagation was performed to identify the airway shape change in the remaining frames. Ninety sagittal cine MR image sets, acquired from three H&N cancer patients, were utilized to demonstrate this approach. Results: The tracking accuracy was validated by comparing the results to the average of two manual delineations in 20 randomly selected images from each patient. The resulting dice similarity coefficient (93.28+/−1.46 %) and margin error (0.49+/−0.12 mm) showed good agreement with the manual results. Intrafractional displacements of anterior, posterior, inferior, and superior airway boundaries were observed, with values of 2.62+/−2.92, 1.78+/−1.43, 3.51+/−3.99, and 0.68+/−0.89 mm, respectively. The H&N airway motion was found to vary across directions, fractions, and patients, and highly correlated with patients’ respiratory frequency. Conclusion: We proposed the integrated computational approach, which for the first time allows to automatically identify the H&N upper airway and quantify in-treatment H&N internal motion in real-time. This approach can be applied to track other structures’ motion, and provide guidance on patient-specific prediction of intra-/inter-fractional structure displacements.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Quantification of Ebola virus replication kinetics in vitro

Mathematical modelling has successfully been used to provide quantitative descriptions of many viral infections, but for the Ebola virus, which requires biosafety level 4 facilities for experimentation, modelling can play a crucial role. Ebola virus modelling efforts have primarily focused on in vivo virus kinetics, e.g., in animal models, to aid the development of antivirals and vaccines. But, thus far, these studies have not yielded a detailed specification of the infection cycle, which could provide a foundational description of the virus kinetics and thus a deeper understanding of their clinical manifestation. Here, we obtain a diverse experimental data set of the Ebola virus infection in vitro, and then make use of Bayesian inference methods to fully identify parameters in a mathematical model of the infection. Our results provide insights into the distribution of time an infected cell spends in the eclipse phase (the period between infection and the start of virus production), as well as the rate at which infectious virions lose infectivity. We suggest how these results can be used in future models to describe co-infection with defective interfering particles, which are an emerging alternative therapeutic.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Clean Grid Vision: A U.S. Perspective - Chapter 2. Distribution Issues and Tools

The continued growth in distributed energy resources is fundamentally changing the way the distribution system is operated and planned. Additionally, an increasing number of grid issues are being regularly experienced by distribution engineers within an increasing number of utilities. Fortunately, these fundamental changes and increasingly regular issues are being addressed via continual improvements in existing distribution system modeling tools—for both tools used by industry and researchers—and via novel modeling methods, which are combining transmission and distribution system modeling to investigate new, often complex, system interactions at the transmission/distribution power system interface. As DERs continue to increase more and more utilities, regulators, and developers are finding usable solutions in the deployment of smart inverters with ever more capable functionalities. This increase in functionality is welcome but comes at the cost of more complex analysis when determining what specific settings should be used for an individual interconnection. With more time, experience, and likely the further development of advanced analysis tools, even higher levels of DER integration will result in a reliable, resilient, low-cost, and safely operating grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Fundamental Physics with the Hubble Frontier Fields: Constraining Dark Matter Models with the Abundance of Extremely Faint and Distant Galaxies

We show that the measured abundance of ultra-faint lensed galaxies at z≈6 in the Hubble Frontier Fields (HFF) provides stringent constraints on the parameter space of (i) dark matter models based on keV sterile neutrinos; (ii) “fuzzy” wavelike dark matter models, based on Bose–Einstein condensates of ultra-light particles. For the case of sterile neutrinos, we consider two production mechanisms: resonant production through mixing with active neutrinos and the decay of scalar particles. For the former model, we derive constraints for the combination of sterile neutrino mass m{sub ν} and mixing parameter sin{sup 2}(2θ) which provide the tightest lower bounds on the mixing angle (and hence on the lepton asymmetry) derived so far by methods independent of baryonic physics. For the latter we compute the allowed combinations of the scalar mass, its coupling to the Higgs field, and the Yukawa coupling of scalar to sterile neutrinos. We compare our results to independent existing astrophysical bounds on sterile neutrinos in the same mass range. For the case of “fuzzy” dark matter, we show that the observed number density ≈1/Mpc{sup 3} of high-redshift galaxies in the HFF sets a lower limit m{sub ψ}⩾8⋅10{sup −22} eV (at the 3-σ confidence level) on the particle mass, a result that strongly disfavors wavelike bosonic dark matter as a viable model for structure formation. We discuss the impact on our results of uncertainties due to systematics in the selection of highly magnified, faint galaxies at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

ISMB Conference Funding to Support Attendance of Early Researchers and Students

ISMB Conference Funding for Students and Young Scientists Historical Description The Intelligent Systems for Molecular Biology (ISMB) conference has provided a general forum for disseminating the latest developments in bioinformatics on an annual basis for the past 22 years. ISMB is a multidisciplinary conference that brings together scientists from computer science, molecular biology, mathematics and statistics. The goal of the ISMB meeting is to bring together biologists and computational scientists in a focus on actual biological problems, i.e., not simply theoretical calculations. The combined focus on “intelligent systems” and actual biological data makes ISMB a unique and highly important meeting. 21 years of experience in holding the conference has resulted in a consistently well-organized, well attended, and highly respected annual conference. "Intelligent systems" include any software which goes beyond straightforward, closed-form algorithms or standard database technologies, and encompasses those that view data in a symbolic fashion, learn from examples, consolidate multiple levels of abstraction, or synthesize results to be cognitively tractable to a human, including the development and application of advanced computational methods for biological problems. Relevant computational techniques include, but are not limited to: machine learning, pattern recognition, knowledge representation, databases, combinatorics, stochastic modeling, string and graph algorithms, linguistic methods, robotics, constraint satisfaction, and parallel computation. Biological areas of interest include molecular structure, genomics, molecular sequence analysis, evolution and phylogenetics, molecular interactions, metabolic pathways, regulatory networks, developmental control, and molecular biology generally. Emphasis is placed on the validation of methods using real data sets, on practical applications in the biological sciences, and on development of novel computational techniques. The ISMB conferences are distinguished from many other conferences in computational biology or artificial intelligence by an insistence that the researchers work with real molecular biology data, not theoretical or toy examples; and from many other biological conferences by providing a forum for technical advances as they occur, which otherwise may be shunned until a firm experimental result is published. The resulting intellectual richness and cross-disciplinary diversity provides an important opportunity for both students and senior researchers. ISMB has become the premier conference series in this field with refereed, published proceedings, establishing an infrastructure to promote the growing body of research.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Towards 3D printed multifunctional immobilization for proton therapy: Initial materials characterization

Purpose: 3D printing technology is investigated for the purpose of patient immobilization during proton therapy. It potentially enables a merge of patient immobilization, bolus range shifting, and other functions into one single patient-specific structure. In this first step, a set of 3D printed materials is characterized in detail, in terms of structural and radiological properties, elemental composition, directional dependence, and structural changes induced by radiation damage. These data will serve as inputs for the design of 3D printed immobilization structure prototypes. Methods: Using four different 3D printing techniques, in total eight materials were subjected to testing. Samples with a nominal dimension of 20 × 20 × 80 mm{sup 3} were 3D printed. The geometrical printing accuracy of each test sample was measured with a dial gage. To assess the mechanical response of the samples, standardized compression tests were performed to determine the Young’s modulus. To investigate the effect of radiation on the mechanical response, the mechanical tests were performed both prior and after the administration of clinically relevant dose levels (70 Gy), multiplied with a safety factor of 1.4. Dual energy computed tomography (DECT) methods were used to calculate the relative electron density to water ρ{sub e}, the effective atomic number Z{sub eff}, and the proton stopping power ratio (SPR) to water SPR. In order to validate the DECT based calculation of radiological properties, beam measurements were performed on the 3D printed samples as well. Photon irradiations were performed to measure the photon linear attenuation coefficients, while proton irradiations were performed to measure the proton range shift of the samples. The directional dependence of these properties was investigated by performing the irradiations for different orientations of the samples. Results: The printed test objects showed reduced geometric printing accuracy for 2 materials (deviation > 0.25 mm). Compression tests yielded Young’s moduli ranging from 0.6 to 2940 MPa. No deterioration in the mechanical response was observed after exposure of the samples to 100 Gy in a therapeutic MV photon beam. The DECT-based characterization yielded Z{sub eff} ranging from 5.91 to 10.43. The SPR and ρ{sub e} both ranged from 0.6 to 1.22. The measured photon attenuation coefficients at clinical energies scaled linearly with ρ{sub e}. Good agreement was seen between the DECT estimated SPR and the measured range shift, except for the higher Z{sub eff}. As opposed to the photon attenuation, the proton range shifting appeared to be printing orientation dependent for certain materials. Conclusions: In this study, the first step toward 3D printed, multifunctional immobilization was performed, by going through a candidate clinical workflow for the first time: from the material printing to DECT characterization with a verification through beam measurements. Besides a proof of concept for beam modification, the mechanical response of printed materials was also investigated to assess their capabilities for positioning functionality. For the studied set of printing techniques and materials, a wide variety of mechanical and radiological properties can be selected from for the intended purpose. Moreover the elaborated hybrid DECT methods aid in performing in-house quality assurance of 3D printed components, as these methods enable the estimation of the radiological properties relevant for use in radiation therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Ensemble Monte Carlo calculations with five novel moves

We introduce five novel types of Monte Carlo (MC) moves that brings the number of moves of ensemble MC calculations from three to eight. So far such calculations have relied on affine invariant stretch moves that were originally introduced by Christen (2007), walk moves by Goodman and Weare (2010) and quadratic moves by Militzer (2023). Ensemble MC methods have been very popular because they harness information about the fitness landscape from a population of walkers rather than relying on expert knowledge. Here we modified the affine method and employed a simplex of points to set the stretch direction. We adopt the simplex concept to quadratic moves. We also generalize quadratic moves to arbitrary order. Finally, we introduce directed moves that employ the values of the probability density while all other types of moves rely solely on the location of the walkers. We apply all algorithms to the Rosenbrock density in 2 and 20 dimensions and to the ring potential in 12 and 24 dimensions. We evaluate their efficiency by comparing error bars, autocorrelation time, travel time, and the level of cohesion that measures whether any walkers were left behind. Our code is open source.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Theoretical prediction of coordination environments and stability constants of lanthanum lactate complexes in solution

Using Density Functional Theory calculations in combination with explicit solvent and a continuum solvent model, this work sets out to understand the coordination environment and relevant thermodynamics of La(III)-lactate complexes. Calculations focus on the coordination modes for the complexes and changes in Gibbs free energy for complexation in solution. These results confirm that the α-hydroxyl group should be protonated, or at least hydrogen bonded to a water molecule, upon successive addition of the lactate ligand to the La(III) center using Bader's Atoms-in Molecules (AIM) approach. In addition, we present a straightforward method for predicting stability constants at the semi-quantitative level for La(III)-lactate complexes in solution. Furthermore, the proposed method could be particularly useful for prediction of lanthanide complex formation in various biochemical, environmental, and nuclear separations processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

REVISED AND EXTENDED ANALYSIS OF FIVE TIMES IONIZED XENON, Xe VI

A capillary discharge tube was used to record the Xe spectrum in the 400-5500 Å region. A set of 243 lines of the Xe VI spectrum was observed, and 146 of them were classified for the first time. For all known lines, we calculated the weighted oscillator strengths (gf) and weighted transition probabilities (gA) using the configuration interaction in a relativistic Hartree-Fock approach. The energy matrix was calculated using energy parameters adjusted to fit the experimental energy levels. Core polarization effects were taken into account in our calculations. Experimental energy values and calculated lifetimes are also presented for a set of 88 levels. From these levels, 32 were classified for the first time and 33 had their values revised. Our analysis of the 5s5p5d and 5s5p6s configurations was extended in order to clarify discrepancies among previous works.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Threshold progressions in covering and packing contexts

Here, using standard methods (due to Janson, Stein–Chen, and Talagrand) from probabilistic combinatorics, we explore the following general theme: As one progresses from each member of a family of objects $\mathcal{A}$ being “covered” by at most one object in a random collection $\mathcal{C}$, to being covered at most λ times, to being covered at least once, to being covered at least λ times, a hierarchy of thresholds emerge. We will use examples from extremal set theory, combinatorics, and additive number theory to see how these results vary according to the context, and level of dependence introduced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Optimal toolpath generation system and method for additively manufactured composite materials

The present disclosure relates to a system for optimizing an additive manufacturing (AM) process. The system may use a printing component for using a material to form a component in a layer-by-layer process. An electronic controller may control movement of one of the printing component or a substrate on which the component is being formed, in a manner to optimize a toolpath for the printing component as each layer of the component is formed. Optimization operations are performed using an optimization subsystem which enables manufacturability constraints, as well as optimized toolpaths for each layer of the component, to be defined using contours of a level-set function. The level-set function may be used to define the optimized toolpaths within a fixed, predetermined grid, and the optimized toolpaths then used to generate suitable code for controlling movement of the printing component relative to the substrate to create the part or structure in a layer-by-layer process, using the optimized toolpaths.

Lewicki, James↗
DOE OSTI2015

On the origin of nonlinear elasticity in disparate rocks

Dynamic acousto-elastic (DAE) studies are performed on a set of 6 rock samples (four sandstones, one soapstone, and one granite). From these studies, at 20 strain levels 10 -7 < ϵ < 10 -5 , four measures characterizing the nonlinear elastic response of each sample are found. Additionally, each sample is tested with nonlinear resonant ultrasonic spectroscopy (NRUS) and a fth measure of nonlinear elastic response is found. The ve measures of the nonlinear elastic response of the samples (approximately 3 x 6 x 20 x 5 numbers as each measurement is repeated 3 times) are subjected to careful analysis using model independent statistical methods, principal component analysis and fuzzy clustering. This analysis reveals di erences among the samples and di erences among the nonlinear measures. Four of the nonlinear measures are sensing much the same physical mechanism in the samples. The fth is seeing something di erent. This is the case for all samples. Although the same physical mechanisms (two) are operating in all samples there are distinctive features in the way the physical mechanisms present themselves from sample to sample. This suggests classi cation of the samples into two groups. The numbers in this study and the classi cation of the measures/samples constitute an empirical characterization of rock nonlinear elastic properties that can serve as a valuable testing ground for physically based theories that relate rock nonlinear elastic properties to microscopic elastic features.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Identifying dark matter interactions in monojet searches

We study the discrimination of quark-initiated jets from gluon-initiated jets in monojet searches for dark matter using the technique of averaged jet energy profiles. We demonstrate our results in the context of effective field theories of dark matter interactions with quarks and gluons, but our methods apply more generally to a wide class of models. Different effective theories of dark matter and the standard model backgrounds each have a characteristic quark/gluon fraction for the leading jet. When used in conjunction with the traditional cut-and-count monojet search, the jet energy profile can be used to set stronger bounds on contact interactions of dark matter. In the event of a discovery of a monojet excess at the 14 TeV LHC, contact interactions between dark matter with quarks or with gluons can be differentiated at the 95% confidence level. For a given rate at the LHC, signal predictions at direct detection experiments for different dark matter interactions can span five orders of magnitude. Lastly, the ability to identify these interactions allows us to make a tighter connection between LHC searches and direct detection experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Sequential Bond Dissociation Energies of Th + (CO) x , x = 3–6: Guided Ion Beam Collision-Induced Dissociation and Quantum Computational Studies

Collision-induced dissociation (CID) of [Th,xC,xO] + , x = 3–6, with Xe is performed using a guided ion beam tandem mass spectrometer (GIBMS). Products are formed exclusively by the loss of CO ligands. Analyses of the kinetic energy-dependent CID product cross sections yield bond dissociation energies (BDEs) of (CO) x–1 Th + –CO at 0 K as 1.09 ± 0.05, 0.82 ± 0.07, 0.63 ± 0.05, and 0.70 ± 0.05 eV, respectively. Different structures of [Th,xC,xO] + were explored using various electronic structure methods, and BDEs for CO ligand loss from precursor [Th,xC,xO] + complexes were computed. Both experimental and theoretical results corroborate that the structures of [Th,xC,xO] + , x = 3–6, formed experimentally are homoleptic thorium cation carbonyl complexes, Th + (CO) x . The nonmonotonic trend in experimental BDEs is reproduced theoretically, although ambiguities in the spin states of the x = 4–6 complexes (doublet or quartet) remain. BDEs calculated at the coupled cluster with single, double, and perturbative triple excitations (CCSD(T))/cc-pVXZ//B3LYP/cc-PVXZ (X = T and Q) level and a complete basis set (CBS) extrapolation agree reasonably well with the experimental values for all complexes. Thorium oxide ketenylidene carbonyl cations, OTh + CCO(CO) y , y = 1–4, were calculated to be the most stable structures of [Th,xC,xO] + , x = 3–6, respectively; however, these are not observed in our experiment. Potential energy profiles (PEPs) having either quartet or doublet spin calculated at the B3LYP/cc-pVQZ level suggest that the failure to observe OTh + CCO(CO) y , y = 1–4, is the result of a barrier corresponding to the C–C bond formation, making the formation of OTh + CCO(CO) y inaccessible kinetically under the present experimental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Model validation for inferred hot-spot conditions in National Ignition Facility experiments

Progress toward ignition requires accurately diagnosing current conditions and assessing proximity metrics for implosion experiments on the National Ignition Facility. Hot-spot conditions are not directly measured, but rather inferred, often using simple 0- and 1D models [P. Patel et al., Phys. Plasmas 27, 050901 (2020)]. In this work, we present a detailed accuracy validation exercise using a set of ~20,000 2D simulations encompassing a variety of performance and degradation levels. We find good agreement between the model-inferred pressure and the simulated burn-weighted pressure at peak neutron production and also present results on the precision of inferred quantities using a Markov-Chain Monte Carlo algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Study of the impact of resonant magnetic perturbation fields on gross tungsten erosion using DiMES samples in DIII-D

Here, an experiment was conducted in DIII-D to compare gross tungsten (W) erosion on samples exposed to outer strike point (OSP) sweeps in L-mode plasmas for three conditions. These included two phases of resonant magnetic perturbations (RMPs), and a set with no perturbations. Upon RMP application, lobe structures indicative of strike point splitting of the OSP were evident in divertor camera data and on Langmuir probes. Gross W erosion flux, ${{\rm{\Gamma }}}_{{\rm{W}}},$ inferred spectroscopically using the S/XB method applied to the 400.9 nm W-I line, was generally in the range ${{\rm{\Gamma }}}_{{\rm{W}}}/{{\rm{\Gamma }}}_{{\rm{D}}+,\perp }=2\times {10}^{-4}$ referenced to incident deuterium ion flux ${{\rm{\Gamma }}}_{{\rm{D}}+,\perp },$ and was increased in the RMP cases by no more than 30% of the level observed in unperturbed discharges. A large reduction in gross erosion (50%) was observed in the private flux region at the W sample for one specific toroidal phase of the RMP field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Combining diagnostics, modeling, and control systems for automated alignment of the TES beamline

X-ray beamlines are essential components of all synchrotron light sources. Practical operations involve frequent variation in beamline component positions and orientation, particularly when photon beam parameters shift due to experimental needs, or due to variations in the incoming photon beam. The alignment process can be time consuming and takes away from valuable beam time for experimental data collection. We describe progress in the automation of certain alignment tasks on the tender-energy X-ray spectroscopy (TES) beamline at the National Synchrotron Light Source II (NSLS-II). The beamline is controlled using the BlueSky software in which high level experimental plans guide the beamline components during an experiment. Numerous software packages exist for beamline modeling, and they may be tied to the beamline control system using a package we are continuing to develop called Sirepo-Bluesky. The photon beam distribution may be measured with fluorescent screens, and a relation between beam and machine state can be found by varying the mirror and aperture settings over a multi-dimensional range. We describe the results of such parameter varying measurements and how we are combining Sirepo-Bluesky with machine learning methods and reduced models to automate mirror alignment on the TES beamline.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhancing Photosynthesis Simulation Performance in ESMs with Machine Learning-Assisted Solvers

When simulating vegetation dynamics, photosynthesis accounts for a large fraction of the computational cost in most Earth System Models (ESMs). This is largely since photosynthesis is represented as a system of nonlinear equations, and the solution requires the use of an initial guess followed by many iterations of the numerical solver to obtain a solution. We use machine learning (ML) to replicate the response surface of the model’s numerical solver to improve the choice of initial guess, therefore requiring fewer iterations to obtain a final solution. We implemented this test on the leaf-level calculations as well as at the canopy scale, and for both we observed fewer iterations of the photosynthesis solver when a ML-based initial guess was implemented. The model tested here is the Energy Exascale Earth System Model - Land Model (ELM). The ML-based algorithms used here are trained on simulations from the model itself and used only to improve the initial guess for the solver; therefore, the model maintains its own set of physics to obtain the final solution. This work shows novel ways to utilize ML-based methods to improve the performance of numerical solvers in ESMs.

Massoud, Elias [ORNL] (ORCID:0000000217725361)↗