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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SU-E-T-610: Phosphor-Based Fiber Optic Probes for Proton Beam Characterization

Purpose: To investigate feasibility of using fiber optics probes with rare-earth-based phosphor tips for proton beam radiation dosimetry. We designed and fabricated a fiber probe with submillimeter resolution (<0.5 mm3) based on TbF3 phosphors and evaluated its performance for measurement of proton beam including profiles and range. Methods: The fiber optic probe with TbF3 phosphor tip, embedded in tissue-mimicking phantoms was irradiated with double scattering proton beam with energy of 180 MeV. Luminescence spectroscopy was performed by a CCD-coupled spectrograph to analyze the emission spectra of the fiber tip. In order to measure the spatial beam profile and percentage depth dose, we used singular value decomposition method to spectrally separate the phosphors ionoluminescence signal from the background Cerenkov radiation signal. Results: The spectra of the TbF3 fiber probe showed characteristic ionoluminescence emission peaks at 489, 542, 586, and 620 nm. By using singular value decomposition we found the contribution of the ionoluminescence signal to measure the percentage depth dose in phantoms and compared that with measurements performed with ion chamber. We observed quenching effect at the spread out Bragg peak region, manifested as under-responding of the signal, due to the high LET of the beam. However, the beam profiles were not dramatically affected by the quenching effect. Conclusion: We have evaluated the performance of a fiber optic probe with submillimeter resolution for proton beam dosimetry. We demonstrated feasibility of spectral separation of the Cerenkov radiation from the collected signal. Such fiber probes can be used for measurements of proton beams profile and range. The experimental apparatus and spectroscopy method developed in this work provide a robust platform for characterization of proton-irradiated nanophosphor particles for ultralow fluence photodynamic therapy or molecular imaging applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Single-energy computed tomography-based pulmonary perfusion imaging: Proof-of-principle in a canine model

Purpose: Radiotherapy (RT) that selectively avoids irradiating highly functional lung regions may reduce pulmonary toxicity, which is substantial in lung cancer RT. Single-energy computed tomography (CT) pulmonary perfusion imaging has several advantages (e.g., higher resolution) over other modalities and has great potential for widespread clinical implementation, particularly in RT. The purpose of this study was to establish proof-of-principle for single-energy CT perfusion imaging. Methods: Single-energy CT perfusion imaging is based on the following: (1) acquisition of end-inspiratory breath-hold CT scans before and after intravenous injection of iodinated contrast agents, (2) deformable image registration (DIR) for spatial mapping of those two CT image data sets, and (3) subtraction of the precontrast image data set from the postcontrast image data set, yielding a map of regional Hounsfield unit (HU) enhancement, a surrogate for regional perfusion. In a protocol approved by the institutional animal care and use committee, the authors acquired CT scans in the prone position for a total of 14 anesthetized canines (seven canines with normal lungs and seven canines with diseased lungs). The elastix algorithm was used for DIR. The accuracy of DIR was evaluated based on the target registration error (TRE) of 50 anatomic pulmonary landmarks per subject for 10 randomly selected subjects as well as on singularities (i.e., regions where the displacement vector field is not bijective). Prior to perfusion computation, HUs of the precontrast end-inspiratory image were corrected for variation in the lung inflation level between the precontrast and postcontrast end-inspiratory CT scans, using a model built from two additional precontrast CT scans at end-expiration and midinspiration. The authors also assessed spatial heterogeneity and gravitationally directed gradients of regional perfusion for normal lung subjects and diseased lung subjects using a two-sample two-tailed t-test. Results: The mean TRE (and standard deviation) was 0.6 ± 0.7 mm (smaller than the voxel dimension) for DIR between pre contrast and postcontrast end-inspiratory CT image data sets. No singularities were observed in the displacement vector fields. The mean HU enhancement (and standard deviation) was 37.3 ± 10.5 HU for normal lung subjects and 30.7 ± 13.5 HU for diseased lung subjects. Spatial heterogeneity of regional perfusion was found to be higher for diseased lung subjects than for normal lung subjects, i.e., a mean coefficient of variation of 2.06 vs 1.59 (p = 0.07). The average gravitationally directed gradient was strong and significant (R{sup 2} = 0.99, p < 0.01) for normal lung dogs, whereas it was moderate and nonsignificant (R{sup 2} = 0.61, p = 0.12) for diseased lung dogs. Conclusions: This canine study demonstrated the accuracy of DIR with subvoxel TREs on average, higher spatial heterogeneity of regional perfusion for diseased lung subjects than for normal lung subjects, and a strong gravitationally directed gradient for normal lung subjects, providing proof-of-principle for single-energy CT pulmonary perfusion imaging. Further studies such as comparison with other perfusion imaging modalities will be necessary to validate the physiological significance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Gravitating lepton bag model

The Kerr–Newman (KN) black hole (BH) solution exhibits the external gravitational and electromagnetic field corresponding to that of the Dirac electron. For the large spin/mass ratio, a ≫ m, the BH loses horizons and acquires a naked singular ring creating two-sheeted topology. This space is regularized by the Higgs mechanism of symmetry breaking, leading to an extended particle that has a regular spinning core compatible with the external KN solution. We show that this core has much in common with the known MIT and SLAC bag models, but has the important advantage of being in accordance with the external gravitational and electromagnetic fields of the KN solution. A peculiar two-sheeted structure of Kerr’s gravity provides a framework for the implementation of the Higgs mechanism of symmetry breaking in configuration space in accordance with the concept of the electroweak sector of the Standard Model. Similar to other bag models, the KN bag is flexible and pliant to deformations. For parameters of a spinning electron, the bag takes the shape of a thin rotating disk of the Compton radius, with a ring–string structure and a quark-like singular pole formed at the sharp edge of this disk, indicating that the considered lepton bag forms a single bag–string–quark system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Conductance distribution near the Anderson transition

Using a modification of the Shapiro approach, we introduce the two-parameter family of conductance distributions W(g), defined by simple differential equations, which are in the one-to-one correspondence with conductance distributions for quasi-one-dimensional systems of size L{sup d–1} × L{sub z}, characterizing by parameters L/ξ and L{sub z}/L (ξ is the correlation length, d is the dimension of space). This family contains the Gaussian and log-normal distributions, typical for the metallic and localized phases. For a certain choice of parameters, we reproduce the results for the cumulants of conductance in the space dimension d = 2 + ϵ obtained in the framework of the σ-model approach. The universal property of distributions is existence of two asymptotic regimes, log-normal for small g and exponential for large g. In the metallic phase they refer to remote tails, in the critical region they determine practically all distribution, in the localized phase the former asymptotics forces out the latter. A singularity at g = 1, discovered in numerical experiments, is admissible in the framework of their calculational scheme, but related with a deficient definition of conductance. Apart of this singularity, the critical distribution for d = 3 is well described by the present theory. One-parameter scaling for the whole distribution takes place under condition, that two independent parameters characterizing this distribution are functions of the ratio L/ξ.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Kadomtsev−Petviashvili equation for a flow of highly nonisothermal collisionless plasma

It is shown that the equations of two-fluid electrodynamics for a cold ions flow and Boltzmann electrons in the vicinity of the ion-sound point can be reduced to the Kadomtsev−Petviashvili equation. Examples of two-dimensional equilibria with pole singularities obtained by exactly solving the equations are presented. An exact self-similar solution describing a two-dimensional transonic flow and having no pole singularities is found.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Nonlinear propagation of ion-acoustic waves through the Burgers equation in weakly relativistic plasmas

The Burgers equation is obtained to study the characteristics of nonlinear propagation of ionacoustic shock, singular kink, and periodic waves in weakly relativistic plasmas containing relativistic thermal ions, nonextensive distributed electrons, Boltzmann distributed positrons, and kinematic viscosity of ions using the well-known reductive perturbation technique. This equation is solved by employing the (G'/G)-expansion method taking unperturbed positron-to-electron concentration ratio, electron-to-positron temperature ratio, strength of electrons nonextensivity, ion kinematic viscosity, and weakly relativistic streaming factor. The influences of plasma parameters on nonlinear propagation of ion-acoustic shock, periodic, and singular kink waves are displayed graphically and the relevant physical explanations are described. It is found that these parameters extensively modify the shock structures excitation. The obtained results may be useful in understanding the features of small but finite amplitude localized relativistic ion-acoustic shock waves in an unmagnetized plasma system for some astrophysical compact objects and space plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Studies of Analytic Evolution of Two-Photon Generalized Distribution Amplitude in QCD

We extend our method of analytic ERBL evolution for the case of distribution amplitudes that have jumps at some points x = {zeta}{sub I} inside the support region 0 < x < 1. As an application of the method, we use it for evolution of the two-photon generalized distribution amplitude. Our approach has advantages over the standard method of expansion in Gegenbauer polynomials, which requires infinite number of terms in order to accuretly reproduce functions in the vicinity of singular points, and over the method of straightforward iteration of initial distribution with evolution kernel which produces logarithmically divergent terms at each iteration. In our method, the logarithmic singularities are summed from the start, which immediately produces a continuous curve, with only one or two iterations needed afterwards in order to get precise results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

The HPC Container Experience on the Summit Supercomputer

Containers are seeing widespread use in the world of High Performance Computing, with many HPC Centers either providing their own containerization solution or adopting existing ones like Singularity and Apptainer. The demand for containerization options come from users who want to take advantage of the portability and reproducibility containers can provide, as well as being able to build and use applications that are only distributed in container form or are otherwise unsuited to natively run in an HPC environment. The users served by the Oak Ridge Leadership Computing Facility are no exception. We go over the past and current containerization offerings at the Oak Ridge Leadership Computing Facility, mainly focusing on the Summit supercomputer. We arrive at using a combination of Podman and Singularity to allow users to build and run containers directly on Summit, without requiring external resources or hardware for any step of the process. We look at a couple of projects running on Summit that greatly benefited from being able to use containers on Summit. And we compare benchmarks running natively and in containers on Summit at different scales, observing minimal performance difference and consistent behavior across all tests.

Abraham, Subil↗
DOE OSTI2024

CORRLA-RS

The CORRLA-RS package provides a suite of statistical methods for sampling multidimensional distributions and to conduct sensitivity and correlation analysis of large scale data in the Rust programming language. The software provides a unique solution to multidimensional constrained sampling problems utilizing a combination of parallelized Markov Chain Monte Carlo methods and traditional rejection sampling. The sensitivity and correlation analysis methods are backed by a high performance randomized singular value decomposition implementation which enables datasets larger than the random access memory (RAM) size to be analyzed. Additionally, CORRLA-RS implements the active subspace identification method using a KD-Tree and the randomized singular value decomposition acting in concert.

Gurecky, William [Oak Ridge National Laboratory (O↗
DOE OSTI2023

Smoothing Lexis diagrams using kernel functions: A contemporary approach

Lexis diagrams are rectangular arrays of event rates indexed by age and period. Analysis of Lexis diagrams is a cornerstone of cancer surveillance research. Typically, population-based descriptive studies analyze multiple Lexis diagrams defined by sex, tumor characteristics, race/ethnicity, geographic region, etc. Inevitably the amount of information per Lexis diminishes with increasing stratification. Several methods have been proposed to smooth observed Lexis diagrams up front to clarify salient patterns and improve summary estimates of averages, gradients, and trends. In this article, we develop a novel bivariate kernel-based smoother that incorporates two key innovations. First, for any given kernel, we calculate its singular values decomposition, and select an optimal truncation point—the number of leading singular vectors to retain—based on the bias-corrected Akaike information criterion. Second, we model-average over a panel of candidate kernels with diverse shapes and bandwidths. The truncated model averaging approach is fast, automatic, has excellent performance, and provides a variance-covariance matrix that takes model selection into account. We present an in-depth case study (invasive estrogen receptor-negative breast cancer incidence among non-Hispanic white women in the United States) and simulate operating characteristics for 20 representative cancers. The truncated model averaging approach consistently outperforms any fixed kernel. Our results support the routine use of the truncated model averaging approach in descriptive studies of cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Fast truncated SVD of sparse and dense matrices on graphics processors

We investigate the solution of low-rank matrix approximation problems using the truncated singular value decomposition (SVD). For this purpose, we develop and optimize graphics processing unit (GPU) implementations for the randomized SVD and a blocked variant of the Lanczos approach. Our work takes advantage of the fact that the two methods are composed of very similar linear algebra building blocks, which can be assembled using numerical kernels from existing high-performance linear algebra libraries. Furthermore, the experiments with several sparse matrices arising in representative real-world applications and synthetic dense test matrices reveal a performance advantage of the block Lanczos algorithm when targeting the same approximation accuracy.

Computer Science↗
DOE OSTI2019

Burn and thoracic trauma alters fracture healing, systemic inflammation, and leukocyte kinetics in a rat model of polytrauma

Singular traumatic insults, such as bone fracture, typically initiate an appropriate immune response necessary to restore the host to pre-insult homeostasis with limited damage to self. However, multiple concurrent insults, such as a combination of fracture, blunt force trauma, and burns (polytrauma), are clinically perceived to result in abnormal immune response leading to inadequate healing and resolution. To investigate this phenomenon, we created a model rat model of polytrauma. To investigate relationship between polytrauma and delayed healing, we created a novel model of polytrauma in a rat which encompassed a 3-mm osteotomy, blunt chest trauma, and full-thickness scald burn. Healing outcomes were determined at 5 weeks where the degree of bone formation at the osteotomy site of polytrauma animals was compared to osteotomy only animals (OST). We observed significant differences in the bone volume fraction between polytrauma and OST animals indicating that polytrauma negatively effects wound healing. Polytrauma animals also displayed a significant decrease in their ability to return to pre-injury weight compared to osteotomy animals. Polytrauma animals also exhibited significantly altered gene expression in osteogenic pathways as well as the innate and adaptive immune response. Perturbed inflammation was observed in the polytrauma group compared to the osteotomy group as evidenced by significantly altered white blood cell (WBC) profiles and significantly elevated plasma high-mobility group box 1 protein (HMGB1) at 6 and 24 h post-trauma. Conversely, polytrauma animals exhibited significantly lower concentrations of plasma TNF-alpha (TNF-α) and interleukin 6 (IL-6) at 72 h post-injury compared to OST. Following polytrauma with burn injury, the local and systemic immune response is divergent from the immune response following a less severe singular injury (osteotomy). This altered immune response that follows was associated with a reduced capacity for wound healing.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Zero-crosstalk silicon photonic refractive index sensor with subwavelength gratings

Abstract Silicon photonic index sensors have received significant attention for label-free bio and gas-sensing applications, offering cost-effective and scalable solutions. Here, we introduce an ultra-compact silicon photonic refractive index sensor that leverages zero-crosstalk singularity responses enabled by subwavelength gratings. The subwavelength gratings are precisely engineered to achieve an anisotropic perturbation-led zero-crosstalk, resulting in a single transmission dip singularity in the spectrum that is independent of device length. The sensor is optimized for the transverse magnetic mode operation, where the subwavelength gratings are arranged perpendicular to the propagation direction to support a leaky-like mode and maximize the evanescent field interaction with the analyte space. Experimental results demonstrate a high wavelength sensitivity of − 410 nm/RIU and an intensity sensitivity of 395 dB/RIU, with a compact device footprint of approximately 82.8 μm 2 . Distinct from other resonant and interferometric sensors, our approach provides an FSR-free single-dip spectral response on a small device footprint, overcoming common challenges faced by traditional sensors, such as signal/phase ambiguity, sensitivity fading, limited detection range, and the necessity for large device footprints. This makes our sensor ideal for simplified intensity interrogation. The proposed sensor holds promise for a range of on-chip refractive index sensing applications, from gas to biochemical detection, representing a significant step towards efficient and miniaturized photonic sensing solutions. Graphical Abstract

Materials Science↗
DOE OSTI2020

A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation

An efficient and accurate approach for calculating exact exchange and other two-electron integrals has been developed for periodic electronic structure methods. Traditional approaches used for integrating over the Brillouin zone in band structure calculations, e.g. trapezoidal or Monkhorst-Pack, are not accurate enough for two-electron integrals. This is because their integrands contain multiple singularities over the double integration of the Brillouin zone, which with simple integration methods lead to very inaccurate results. A common approach to this problem has been to replace the Coulomb interaction with a screened Coulomb interaction that removes singularities from the integrands in the two-electron integrals, albeit at the inelegance of having to introduce a screening factor which must precomputed or guessed. Instead of introducing screened Coulomb interactions in an ad hoc way, the method developed in this work derives an effective screened potential using a Filon-like integration approach that is based only on the lattice parameters. This approach overcomes the limitations of traditionally defined screened Coulomb interactions for calculating two-electron integrals, and makes chemistry many-body calculations tractable in periodic boundary conditions. This method has been applied to several systems for which conventional DFT methods do not work well, including the reaction pathways for the addition of H 2 to phenol and Au$^{–}_{20}$ nanoparticle, and the electron transfer of a charge trapped state in the Fe(II) containing mica, annite.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Comparison of Spatial Discretization Methods for Solving the S N Equations Using a Three-Dimensional Method of Manufactured Solutions Benchmark Suite with Escalating Order of Nonsmoothness

For this study, a comparison of the accuracy and computational efficiency of spatial discretization methods of the three-dimensional S N equations is conducted, including discontinuous Galerkin finite element methods, the arbitrarily high-order transport method of nodal type (AHOTN), the linear-linear method, the linear-nodal (LN) method, and the higher-order diamond difference method. For this purpose, we have developed a suite of method of manufactured solutions benchmarks that provides an exact solution of the S N equations even in the presence of scattering. Most importantly, our benchmark suite permits the user to set an arbitrary level of smoothness of the exact solution across the singular characteristics. Our study focuses on the computational efficiency of the considered spatial discretization methods. Numerical results indicate that the best-performing method depends on the norm used to measure the discretization error. We employ discrete Lp norms and integral error norms in this work. For configurations with continuous exact angular flux, high-order AHOTNs perform best under L p error norms, while the LN method performs best when measured by integral error norms. Lastly, when the angular flux is discontinuous, a new singular-characteristic tracking method for three-dimensional geometries performs best among the considered methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Error analysis of numerical methods for thick diffusive neutron transport problems on Shishkin mesh

A thin layer will develop at the boundary if the incoming angular flux is anisotropic in thick diffusive neutron transport problems. Solving such singularly perturbed problems, which have non-smooth solutions with singularity near the boundary, is computationally challenging. Standard finite difference schemes on a uniform mesh cannot yield ε-uniform convergence, where ε is a small parameter, while it can be achieved on a suitable piecewise-uniform Shishkin mesh. We present a formal error analysis of the diamond difference (DD) method and step difference (SD) method for solving the S{sub N} neutron transport equation. The analysis can be extended to other finite difference methods. Numerical results are presented to confirm the error estimates and the advantages of the Shishkin mesh. (author)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Building an EPA Class VI Permit Application

Summary To accelerate the commercialization of carbon capture and storage (CCS), the US Department of Energy (US DOE) is building on decades of characterization efforts and pilot-scale projects through their CarbonSAFE program. Administered through their National Energy Technology Laboratory, this program seeks to bring fully integrated projects to the sector that can store more than 50 million tonnes of CO2 over a 30-year period. The program, which was enacted before the enhancement of Internal Revenue Code Section 45Q, is in the capture assessment, characterization, and permitting phase. The objectives of this paper are to discuss (a) the injection permitting requirements of the CarbonSAFE projects; (b) information gathering in support of the permit; (c) the timelines of field development and permit-related activities; (d) the major technical components of the field development plan; and (e) early feedback from the regulators toward acceptance of the permit. In Mississippi, more than 30,000 acres have been characterized by six deep characterization wells, a deep groundwater well, and 92 line miles of 2D seismic as part of the CarbonSAFE Project ECO2S. During the acquisition of seismic data, all receiver lines were live, which resulted in the generation of a pseudo-3D seismic design. The incorporation of a 3D seismic survey was not included as part of this project due to logistical difficulties presented by the undulating, wooded surface terrain. A suite of openhole geophysical logs was taken from each well, allowing for a detailed interpretation of prospective storage reservoirs and confining intervals to complement the analysis carried out on the 290 ft of a whole core that was cut through the prospective confining zone and storage reservoir. The detailed geologic and reservoir data were assembled and entered into a 3D model to assess the injection capacity and the area of review (AoR). This information fed into the detailed corrective action, monitoring, testing, and postinjection site care (PISC) modeling. The results have been exceptional. The geologic assessment has revealed three primary storage targets, ranging in depth from 3,500 ft to 6,000 ft. These storage reservoirs net 1,300 ft of sandstone, with mean porosity and permeability of 29% and 3.6 darcies, respectively. Together, these reservoirs have storage capacities that may exceed 20 million tonnes per square mile, making this a gigatonne prospect. Forward modeling of the project resulted in an AoR of 16 sq miles, injecting about 8000 t/d, for 30 years, via two deep injection wells. The excellent confining characteristics of the caprock, relatively simple geologic structure, and lack of historical well drilling activity in this area provide excellent containment of the injected CO2. Based on this work, the project has proposed 20 years of PISC. To date, only two US CO2 injection permits have been granted. These projects relied on a singular capture point feeding a singular sequestration point (source to sink), and considerations have not been made to garner CO2 emissions from other industrial sources. The Kemper County Storage Complex is a first-of-its-kind storage hub concept that looks to develop an area capable of storing significant quantities of CO2 from the region. Also, this work will show how characterization efforts, geological and numerical modeling efforts, and plan development were constructed in support of permit and incentives acceptance.

Energy & Fuels↗
DOE OSTI2021

The Cosmological Bootstrap: Spinning correlators from symmetries and factorization

We extend the cosmological bootstrap to correlators involving massless spinning particles, focusing on spin-1 and spin-2. In de Sitter space, these correlators are constrained both by symmetries and by locality. In particular, the de Sitter isometries become conformal symmetries on the future boundary of the spacetime, which are reflected in a set of Ward identities that the boundary correlators must satisfy. We solve these Ward identities by acting with weight-shifting operators on scalar seed solutions. Using this weight-shifting approach, we derive three- and four-point correlators of massless spin-1 and spin-2 fields with conformally coupled scalars. Four-point functions arising from tree-level exchange are singular in particular kinematic configurations, and the coefficients of these singularities satisfy certain factorization properties. We show that in many cases these factorization limits fix the structure of the correlators uniquely, without having to solve the conformal Ward identities. The additional constraint of locality for massless spinning particles manifests itself as current conservation on the boundary. We find that the four-point functions only satisfy current conservation if the s, t, and u-channels are related to each other, leading to nontrivial constraints on the couplings between the conserved currents and other operators in the theory. For spin-1 currents this implies charge conservation, while for spin-2 currents we recover the equivalence principle from a purely boundary perspective. For multiple spin-1 fields, we recover the structure of Yang--Mills theory. Finally, we apply our methods to slow-roll inflation and derive a few phenomenologically relevant scalar-tensor three-point functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗