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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Transition from sub-Rayleigh anticrack to supershear crack propagation in snow avalanches

Snow slab avalanches, characterized by a distinct, broad fracture line, are released following anticrack propagation in highly porous weak snow layers buried below cohesive slabs. The anticrack mechanism is driven by the volumetric collapse of the weak layer, which leads to the closure of crack faces and to the onset of frictional contact. Here, on the basis of snow fracture experiments, full-scale avalanche measurements and numerical simulations, we report the existence of a transition from sub-Rayleigh anticrack to supershear crack propagation. This transition follows the Burridge–Andrews mechanism, in which a supershear daughter crack nucleates ahead of the main fracture front and eventually propagates faster than the shear wave speed. Furthermore, we show that the supershear propagation regime can exist even if the shear-to-normal stress ratio is lower than the static friction coefficient as a result of the loss of frictional resistance during collapse. This finding shows that snow slab avalanches have fundamental similarities with strike-slip earthquakes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Enhancing high-fidelity nonlinear solver with reduced order model

Abstract We propose the use of reduced order modeling (ROM) to reduce the computational cost and improve the convergence rate of nonlinear solvers of full order models (FOM) for solving partial differential equations. In this study, a novel ROM-assisted approach is developed to improve the computational efficiency of FOM nonlinear solvers by using ROM’s prediction as an initial guess. We hypothesize that the nonlinear solver will take fewer steps to the converged solutions with an initial guess that is closer to the real solutions. To evaluate our approach, four physical problems with varying degrees of nonlinearity in flow and mechanics have been tested: Richards’ equation of water flow in heterogeneous porous media, a contact problem in a hyperelastic material, two-phase flow in layered porous media, and fracture propagation in a homogeneous material. Overall, our approach maintains the FOM’s accuracy while speeding up nonlinear solver by 18–73% (through suitable ROM-assisted FOMs). More importantly, the proximity of ROM’s prediction to the solution space leads to the improved convergence of FOMs that would have otherwise diverged with default initial guesses. We demonstrate that the ROM’s accuracy can impact the computational efficiency with more accurate ROM solutions, resulting in a better cost reduction. We also illustrate that this approach could be used in many FOM discretizations (e.g., finite volume, finite element, or a combination of those). Since our ROMs are data-driven and non-intrusive, the proposed procedure can easily lend itself to any nonlinear physics-based problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations. The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Radiative corrections to longitudinal and transverse gauge boson and Higgs production

Radiative corrections to gauge boson and Higgs production computed recently using soft-collinear effective theory require the one-loop high-scale matching coefficients in the standard model. We give explicit expressions for the matching coefficients for the effective field theory operators for qq{yields}VV and qq{yields}{phi}{sup {dagger}{phi}}for a general gauge theory with an arbitrary number of gauge groups. The group theory factors are given explicitly for the standard model, including both QCD and electroweak corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Viscoelastic Model for Lung Parenchyma for Multi-Scale Modeling of Respiratory System Phase I: Hypo-Elastic Model for CFD Implementation

An isotropic constitutive model for the parenchyma of lung has been derived from the theory of hypo-elasticity. The intent is to use it to represent the mechanical response of this soft tissue in sophisticated, computational, fluid-dynamic models of the lung. This demands that the continuum model be accurate, yet simple and effcient. An objective algorithm for its numeric integration is provided. The response of the model is determined for several boundary-value problems whose experiments are used for material characterization. The effective elastic, bulk, and shear moduli, and Poisson’s ratio, as tangent functions, are also derived. The model is characterized against published experimental data for lung. A bridge between this continuum model and a dodecahedral model of alveolar geometry is investigated, with preliminary findings being reported.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Human-System Interface Design Review Guidelines

The U.S. Nuclear Regulatory Commission (NRC) staff reviews the human factors engineering (HFE) aspects of nuclear power plants in accordance with the Standard Review Plan (NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR Edition). The Human Factors Engineering Program Review Model (NUREG-0711, Revision 3, issued November 2012) contains detailed design review procedures. As part of the review process, the interfaces between plant personnel and the plant's systems and components are evaluated for conformance with HFE guidelines. This document, Human-System Interface Design Review Guidelines (NUREG-0700, Revision 3), provides the guidelines necessary to perform this evaluation. The review guidelines address the physical and functional characteristics of human-system interfaces (HSIs). Because these guidelines only address the HFE aspects of design and not other related considerations, such as instrumentation and control and structural design, they are referred to as HFE guidelines. In addition to the review of actual HSIs, the NRC staff can use the NUREG-0700 guidelines to evaluate a design-specific HFE guidelines document or style guide. The HFE guidelines are organized into four basic parts, which are divided into sections. Part I contains guidelines for the basic HSI elements: information displays, user-interface interaction and management, and analog displays and controls. These elements are used as building blocks to develop HSI systems to serve specific functions. Part II contains the guidelines for reviewing the following HSI systems: alarm system, safety parameter display system, group-view display system, soft control system, computer-based procedure system, automation system, and communication system. Part III provides guidelines for the review of workstations and workplaces. Part IV provides guidelines for the review of HSI support (i.e., maintainability of digital systems and degraded HSI and instrumentation and control conditions).

42 ENGINEERING↗
DOE OSTI2017

Solar Activity from 2006 to 2014 and Short-term Forecasts of Solar Proton Events Using the ESPERTA Model

To evaluate the solar energetic proton (SEP) forecast model of Laurenza et al., here termed ESPERTA, we computed the input parameters (soft X-ray (SXR) fluence and ∼1 MHz radio fluence) for all ≥M2 SXR flares from 2006 to 2014. This database is outside the 1995–2005 interval on which ESPERTA was developed. To assess the difference in the general level of activity between these two intervals, we compared the occurrence frequencies of SXR flares and SEP events for the first six years of cycles 23 (1996 September–2002 September) and 24 (2008 December–2014 December). We found a reduction of SXR flares and SEP events of 40% and 46%, respectively, in the latter period. Moreover, the numbers of ≥M2 flares with high values of SXR and ∼1 MHz fluences (>0.1 J m{sup −2} and >6 × 10{sup 5} sfu × minute, respectively) are both reduced by ∼30%. A somewhat larger percentage decrease of these two parameters (∼40% versus ∼30%) is obtained for the 2006–2014 interval in comparison with 1995–2005. Despite these differences, ESPERTA performance was comparable for the two intervals. For the 2006–2014 interval, ESPERTA had a probability of detection (POD) of 59% (19/32) and a false alarm rate (FAR) of 30% (8/27), versus a POD = 63% (47/75) and an FAR = 42% (34/81) for the original 1995–2005 data set. In addition, for the 2006–2014 interval the median (average) warning time was estimated to be ∼2 hr (∼7 hr), versus ∼6 hr (∼9 hr), for the 1995–2005 data set.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Towards an all-orders calculation of the electroweak bubble wall velocity

We analyze Higgs condensate bubble expansion during a first-order electroweak phase transition in the early Universe. The interaction of particles with the bubble wall can be accompanied by the emission of multiple soft gauge bosons. When computed at fixed order in perturbation theory, this process exhibits large logarithmic enhancements which must be resummed to all orders when the wall velocity is large. We perform this resummation both analytically and numerically at leading logarithmic accuracy. The numerical simulation is achieved by means of a particle shower in the broken phase of the electroweak theory. The two approaches agree to the 10$\%$ level. For fast-moving walls, we find the scaling of the thermal pressure exerted against the wall to be $P\sim \gamma^2T^4$, independent of the particle masses, implying a significantly slower terminal velocity than previously suggested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Bioluminescence Tomography–Guided Radiation Therapy for Preclinical Research

Purpose: In preclinical radiation research, it is challenging to localize soft tissue targets based on cone beam computed tomography (CBCT) guidance. As a more effective method to localize soft tissue targets, we developed an online bioluminescence tomography (BLT) system for small-animal radiation research platform (SARRP). We demonstrated BLT-guided radiation therapy and validated targeting accuracy based on a newly developed reconstruction algorithm. Methods and Materials: The BLT system was designed to dock with the SARRP for image acquisition and to be detached before radiation delivery. A 3-mirror system was devised to reflect the bioluminescence emitted from the subject to a stationary charge-coupled device (CCD) camera. Multispectral BLT and the incomplete variables truncated conjugate gradient method with a permissible region shrinking strategy were used as the optimization scheme to reconstruct bioluminescent source distributions. To validate BLT targeting accuracy, a small cylindrical light source with high CBCT contrast was placed in a phantom and also in the abdomen of a mouse carcass. The center of mass (CoM) of the source was recovered from BLT and used to guide radiation delivery. The accuracy of the BLT-guided targeting was validated with films and compared with the CBCT-guided delivery. In vivo experiments were conducted to demonstrate BLT localization capability for various source geometries. Results: Online BLT was able to recover the CoM of the embedded light source with an average accuracy of 1 mm compared to that with CBCT localization. Differences between BLT- and CBCT-guided irradiation shown on the films were consistent with the source localization revealed in the BLT and CBCT images. In vivo results demonstrated that our BLT system could potentially be applied for multiple targets and tumors. Conclusions: The online BLT/CBCT/SARRP system provides an effective solution for soft tissue targeting, particularly for small, nonpalpable, or orthotopic tumor models.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

High energy x-ray phase contrast CT using glancing-angle grating interferometers

Purpose: The authors present initial progress toward a clinically compatible x-ray phase contrast CT system, using glancing-angle x-ray grating interferometry to provide high contrast soft tissue images at estimated by computer simulation dose levels comparable to conventional absorption based CT. Methods: DPC-CT scans of a joint phantom and of soft tissues were performed in order to answer several important questions from a clinical setup point of view. A comparison between high and low fringe visibility systems is presented. The standard phase stepping method was compared with sliding window interlaced scanning. Using estimated dose values obtained with a Monte-Carlo code the authors studied the dependence of the phase image contrast on exposure time and dose. Results: Using a glancing angle interferometer at high x-ray energy (∼45 keV mean value) in combination with a conventional x-ray tube the authors achieved fringe visibility values of nearly 50%, never reported before. High fringe visibility is shown to be an indispensable parameter for a potential clinical scanner. Sliding window interlaced scanning proved to have higher SNRs and CNRs in a region of interest and to also be a crucial part of a low dose CT system. DPC-CT images of a soft tissue phantom at exposures in the range typical for absorption based CT of musculoskeletal extremities were obtained. Assuming a human knee as the CT target, good soft tissue phase contrast could be obtained at an estimated absorbed dose level around 8 mGy, similar to conventional CT. Conclusions: DPC-CT with glancing-angle interferometers provides improved soft tissue contrast over absorption CT even at clinically compatible dose levels (estimated by a Monte-Carlo computer simulation). Further steps in image processing, data reconstruction, and spectral matching could make the technique fully clinically compatible. Nevertheless, due to its increased scan time and complexity the technique should be thought of not as replacing, but as complimentary to conventional CT, to be used in specific applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Segmentation precision of abdominal anatomy for MRI-based radiotherapy

The limited soft tissue visualization provided by computed tomography, the standard imaging modality for radiotherapy treatment planning and daily localization, has motivated studies on the use of magnetic resonance imaging (MRI) for better characterization of treatment sites, such as the prostate and head and neck. However, no studies have been conducted on MRI-based segmentation for the abdomen, a site that could greatly benefit from enhanced soft tissue targeting. We investigated the interobserver and intraobserver precision in segmentation of abdominal organs on MR images for treatment planning and localization. Manual segmentation of 8 abdominal organs was performed by 3 independent observers on MR images acquired from 14 healthy subjects. Observers repeated segmentation 4 separate times for each image set. Interobserver and intraobserver contouring precision was assessed by computing 3-dimensional overlap (Dice coefficient [DC]) and distance to agreement (Hausdorff distance [HD]) of segmented organs. The mean and standard deviation of intraobserver and interobserver DC and HD values were DC{sub intraobserver} = 0.89 ± 0.12, HD{sub intraobserver} = 3.6 mm ± 1.5, DC{sub interobserver} = 0.89 ± 0.15, and HD{sub interobserver} = 3.2 mm ± 1.4. Overall, metrics indicated good interobserver/intraobserver precision (mean DC > 0.7, mean HD < 4 mm). Results suggest that MRI offers good segmentation precision for abdominal sites. These findings support the utility of MRI for abdominal planning and localization, as emerging MRI technologies, techniques, and onboard imaging devices are beginning to enable MRI-based radiotherapy.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Disentangling observable dependence in SCET I and SCET II anomalous dimensions: angularities at two loops

The resummation of radiative corrections to collider jet observables using soft collinear effective theory is encoded in differential renormalization group equations (RGEs), with anomalous dimensions depending on the observable under consideration. This observable dependence arises from the ultraviolet (UV) singular structure of real phase space integrals in the effective field theory. We show that the observable dependence of anomalous dimensions in SCET I problems can be disentangled by introducing a suitable UV regulator in real radiation integrals. Resummation in the presence of the new regulator can be performed by solving a two-dimensional system of RGEs in the collinear and soft sectors, and resembles many features of resummation in SCET II theories by means of the rapidity renormalization group. We study the properties of SCET I with the additional regulator and explore the connection with the system of RGEs in SCET II theories, highlighting some universal patterns that can be exploited in perturbative calculations. As an application, we compute the two-loop soft and jet anomalous dimensions for a family of recoil-free angularities and give new analytic results. This allows us to study the relations between the SCET I and SCET II limits for these observables. We also discuss how the extra UV regulator can be exploited to calculate anomalous dimensions numerically, and the prospects for numerical resummation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2010

Photonic band gap and x-ray optics in warm dense matter

Photonic band gaps for the soft x rays, formed in the periodic structures of solids or dense plasmas, are theoretically investigated. Optical manipulation mechanisms for the soft x rays, which are based on these band gaps, are computationally demonstrated. The reflection and amplification of the soft x rays and the compression and stretching of chirped soft x-ray pulses are discussed. A scheme for lasing with atoms with two energy levels, utilizing the band gap, is also studied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Rexsss Performance Analysis: Domain Decomposition Algorithm Implementations for Resilient Numerical Partial Differential Equation Solvers

The future of extreme-scale computing is expected to magnify the influence of soft faults as a source of inaccuracy or failure in solutions obtained from distributed parallel computations. The development of resilient computational tools represents an essential recourse for understanding the best methods for absorbing the impacts of soft faults without sacrificing solution accuracy. The Rexsss (Resilient Extreme Scale Scientific Simulations) project pursues the development of fault resilient algorithms for solving partial differential equations (PDEs) on distributed systems. Performance analyses of current algorithm implementations assist in the identification of runtime inefficiencies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Single-soft emissions for amplitudes with two colored particles at three loops

We compute the three-loop correction to the universal single-soft emission current for the case of scattering amplitudes with two additional color-charged partons. We present results valid for QCD and $\mathcal{N}$ = 4 super-symmetric Yang-Mills theory. To achieve our results we develop a new integrand expansion technique for scattering amplitudes in the presence of soft emissions. Furthermore, we obtain contributions from single final-state parton matrix elements to the Higgs boson and Drell-Yan production cross section at next-to-next-to-next-to-next-to leading order (N 4 LO) in perturbative QCD in the threshold limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Computational Investigation of the Chemical Bond between An(III) Ions and Soft-Donor Ligands

The chemical bonding of actinide ions with arene and borohydride ligands is explored via quantum chemical methods to understand how the transuranium elements interact with softdonor ligands. Specifically, the [An(C 6 Me 6 )(BH 4 ) 3 ] complexes (An = U, Np, and Pu) and their reduced congeners are studied. Density functional theory (DFT) shows that the metal–ligand interactions in the neutral complexes are governed by electrostatic interactions. Both DFT and complete active space (CASSCF) results show that as one moves from U to Pu, the 5f-orbitals are stabilized leading to a poorer energy match with the ligand orbitals. This contributes to progressively weaker metal-arene and metal-borohydride interactions across the series due to a decrease in energy-driven covalency. A reduction in orbital contributions to bonding is obtained for the transuranium-arene interactions as well. Upon reduction, the arene is reduced, forming a δ-bond. This causes the An–arene distances to contract by 0.1–0.2 Å compared to the neutral complexes. The ground state is assigned as the intermediate-spin state where the arene radical is antiferromagnetically coupled to the metal-centered f-electrons in Np and Pu. On the other hand, the ferromagnetically and antiferromagnetically coupled states are close in energy in the uranium complex, but do not mix when spin– orbit coupling is included using a state-interaction approach (SO-CASPT2). The population of the CASSCF δ*-antibonding natural orbital increases from U to Pu consistent with the increased An–arene distances, weaker interactions, and decreasing covalency across the series. Although the An–B distance increases by ca. 0.06 Å upon reduction, both the neutral and reduced species involve an An(III)–borohydride bond and as such are qualitatively similar. The Np complexes can be assigned to have slightly weaker bonding than the uranium analogs but are overall “uranium-like”. The Pu complexes are predicted to have less covalent contributions to bonding in both the Pu–arene and Pu–borohydride interactions; however, the Pu–arene interaction is predicted to be particularly weak.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗