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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

From inflation to recent cosmic acceleration: the fermionic Elko field driving the evolution of the universe

In this paper we construct the complete evolution of the universe driven by the mass dimension one dark spinor called Elko, starting with inflation, passing by the matter dominated era and finishing with the recent accelerated expansion. The dynamic of the fermionic Elko field with a symmetry breaking type potential can reproduce all phases of the universe in a natural and elegant way. The dynamical equations in general case and slow roll conditions in the limit H || m {sub pl} are also presented for the Elko system. Numerical analysis for the number of e-foldings during inflation, energy density after inflation and for present time and also the actual size of the universe are in good agreement with the standard model of cosmology. An interpretation of the inflationary phase as a result of Pauli exclusion principle is also possible if the Elko field is treated as an average value of its quantum analogue.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Advances in 3D transient plasma dynamics and control through MHD and hybrid fluid-kinetic simulations with JOREK

Transient phenomena and their control are of high relevance in magnetic confinement fusion plasmas to guarantee a stable and safe plasma operation. Interpretative simulations can maximize the insights gained from experiments on present machines and predictive simulations can help in the preparation of design, mitigation techniques and operational scenarios for future devices. In this article, we provide an overview of recent advances and novel scientific results obtained with the 3D non-linear hybrid fluid-kinetic code JOREK, covering physics of plasma transients from the core to the scrape-off layer (SOL) both for tokamak and stellarator devices. Substantial progress was made in the physics understanding, model validation with experiments and experiment interpretation, thus, giving confidence for predictions to devices like DTT, ITER and DEMO. The topics addressed comprise a wide range: the edge physics of new operation scenarios and edge localized mode suppression; major disruptions with a focus on runaway electrons and vertical displacement events as well as disruption mitigation by shattered pellet injection; the physics mechanisms and operational limits of the flux pumping regime for sawtooth control; MHD limits of stellarators and work towards incorporating advanced edge/SOL/exhaust dynamics; continuing improvements of the code for more efficient hybrid simulations on conventional and accelerated high performance computing architectures.

disruptions↗
DOE OSTI2015

Adjoint-based deviational Monte Carlo methods for phonon transport calculations

In the field of linear transport, adjoint formulations exploit linearity to derive powerful reciprocity relations between a variety of quantities of interest. We develop an adjoint formulation of the linearized Boltzmann transport equation for phonon transport. We use this formulation for accelerating deviational Monte Carlo simulations of complex, multiscale problems. Benefits include significant computational savings via direct variance reduction, or by enabling formulations which allow more efficient use of computational resources, such as formulations which provide high resolution in a particular phase-space dimension (e.g., spectral). We show that the proposed adjoint-based methods are particularly well suited to problems involving a wide range of length scales (e.g., nanometers to hundreds of microns) and lead to computational methods that can calculate quantities of interest with a cost that is independent of the system characteristic length scale, thus removing the traditional stiffness of kinetic descriptions. Applications to problems of current interest, such as simulation of transient thermoreflectance experiments or spectrally resolved calculation of the effective thermal conductivity of nanostructured materials, are presented and discussed in detail.

42 ENGINEERING↗
DOE OSTI2018

Properties of hot-spot emission in a warm plastic-shell implosion on the OMEGA laser system

A warm plastic-shell implosion was performed on the OMEGA laser system. The measured corona plasma evolution and shell trajectory in the acceleration phase are reasonably simulated by the one-dimensional LILAC simulation including the nonlocal and cross-beam energy transfer models. The results from analytical thin-shell model reproduce the time-dependent shell radius by LILAC simulation, and also the hot-spot x-ray emissivity profile at stagnation predicted by Spect3D. In the Spect3D simulations within a clean implosion, a “U”-shaped hot-spot radius evolution can be observed with the Kirkpatrick-Baez microscope response (the photon energy is from 4 to 8 keV). However, a fading away hot-spot radius evolution was measured in OMEGA warm plastic-shell implosion because of mixings. In order to recover the measured hot-spot x-ray emissivity profile at stagnation, a non-isobaric hot-spot model is built, and the normalized hot-spot temperature, density, and pressure profiles (normalized to the corresponding target-center values) are obtained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Towards an optimal flow: Density-of-states-informed replica-exchange simulations

Here we learn that replica exchange (RE) is one of the most popular enhanced-sampling simulations technique in use today. Despite widespread successes, RE simulations can sometimes fail to converge in practical amounts of time, e.g., when sampling around phase transitions, or when a few hard-to-find configurations dominate the statistical averages. We introduce a generalized RE scheme, density-of-states-informed RE, that addresses some of these challenges. The key feature of our approach is to inform the simulation with readily available, but commonly unused, information on the density of states of the system as the RE simulation proceeds. This enables two improvements, namely, the introduction of resampling moves that actively move the system towards equilibrium and the continual adaptation of the optimal temperature set. As a consequence of these two innovations, we show that the configuration flow in temperature space is optimized and that the overall convergence of RE simulations can be dramatically accelerated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

pathSQE : an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (E)- and momentum (Q)-resolved dynamical structure factor of single crystals, probing both the lattice and magnetic excitations. Yet, the large size and complexity of four-dimensional INS data are challenging current analysis workflows, often resulting in an underutilization of the measured information. To help address this issue, this paper introduces new software interfaced with the Mantid framework, pathSQE, designed to streamline the processing, analysis and interpretation of 4D single-crystal INS data. By automating key tasks such as 1D/2D slicing, symmetrization, Brillouin zone folding, data visualization, prioritization and filtering, and comparisons with simulations, pathSQE facilitates and accelerates INS data analysis workflows. Here, this paper outlines the features and implementation and provides several illustrations of the use of pathSQE on data collected on single crystals using direct-geometry time-of-flight spectrometers at the Spallation Neutron Source, including Ge, FeSi, MnO and SnS single-crystal measurements on the ARCS, HYSPEC and CNCS neutron spectrometers. Beyond streamlining post-experiment data processing, pathSQE establishes an automated and modular processing pipeline that could support future real-time experiment steering.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A ray-tracing algorithm for ab-initio calculation of thermal load in undulator-based synchrotron beamlines

The OASYS suite and its powerful integration features are used to implement a ray-tracing algorithm to accurately calculate the thermal load in any component of an undulator-based synchrotron beamline. This is achieved by sampling and converting the SRW source of a given energy into a Shadow source and using the latter code to ray trace the full beamline. The accuracy of the algorithm is proved by reconstructing the full undulator radiation distribution through an aperture and comparing the result with direct calculaton of the total power using SRW. The algorithm is particularly suited to analyze cases with complex beamline layouts and optical elements, such as crystals, multilayers, and compound refractive lenses. Examples of its use to calculate the power load on elements of two of the feature beamlines at the Advanced Photon Source Upgrade Project and a comparison of the results with analytical calculations are presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

SU-E-J-02: 4D Digital Tomosynthesis Based On Algebraic Image Reconstruction and Total-Variation Minimization for the Improvement of Image Quality

Purpose: In this paper, we implemented the four-dimensional (4D) digital tomosynthesis (DTS) imaging based on algebraic image reconstruction technique and total-variation minimization method in order to compensate the undersampled projection data and improve the image quality. Methods: The projection data were acquired as supposed the cone-beam computed tomography system in linear accelerator by the Monte Carlo simulation and the in-house 4D digital phantom generation program. We performed 4D DTS based upon simultaneous algebraic reconstruction technique (SART) among the iterative image reconstruction technique and total-variation minimization method (TVMM). To verify the effectiveness of this reconstruction algorithm, we performed systematic simulation studies to investigate the imaging performance. Results: The 4D DTS algorithm based upon the SART and TVMM seems to give better results than that based upon the existing method, or filtered-backprojection. Conclusion: The advanced image reconstruction algorithm for the 4D DTS would be useful to validate each intra-fraction motion during radiation therapy. In addition, it will be possible to give advantage to real-time imaging for the adaptive radiation therapy. This research was supported by Leading Foreign Research Institute Recruitment Program (Grant No.2009-00420) and Basic Atomic Energy Research Institute (BAERI); (Grant No. 2009-0078390) through the National Research Foundation of Korea(NRF) funded by the Ministry of Science, ICT and Future Planning (MSIP)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

SU-E-T-440: Elliptical Source Model for IMRT and VMAT with Complex Modulation

Purpose: To improve dose calculation accuracy for highly modulated fields in IMRT and VMAT using an elliptical source model. Methods: For 2 TrueBeam linacs equipped with Millennium and HD MLCs, the source model of 6 and 15 MV beams was optimized with adjustments of the focal spot dimensions in the Varian Eclipse TPS. Starting from the measured focal spot size of 1.75 × 1.75 mm, the y-dimension of the source was varied while the x-dimension was kept constant. In addition, all other modeling parameters such as the extrafocal source and dosimetric leaf gap remained unchanged. The different models were compared with measured penumbra for jaws and MLC using ion chamber and diode. For 2 IMRT and 2 VMAT cases, the calculated doses were compared with radiochromic film and EPID measurements. Results: A source size of 1.75 × 0.75 mm was found to be optimal for beam modeling. The calculated penumbra (80–20) of a MLCdefined open field was within 0.8 mm compare to measurement for both the inline and crossline profile for various field sizes and depths. The dose gradients in the direction perpendicular to the MLC travel direction was better modeled compared to the source model with a circular focal spot of 1.75 mm for the fields with rigorous MLC modulation. Local differences up to 8% were found in those regions. Conclusion: The conventional source model using a symmetric focal spot tends to overestimate the penumbra perpendicular to the MLC travel direction, resulting in an inaccurate dose calculation especially for fields with complex MLC modulation. This can be improved with an elliptical source model and it can be considered as a standard as IMRT and VMAT treatments are becoming a norm for the clinic.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

SU-E-T-523: On the Radiobiological Impact of Lateral Scatter in Proton Beams

Introduction: In proton therapy, justified concern has been voiced with respect to an increased efficiency in cell kill at the distal end of the Bragg peak. This coupled with range uncertainty is a counter indication to use the Bragg peak to define the border of a treated volume with a critical organ. An alternative is to use the lateral edge of the proton beam, obtaining more robust plans. We investigate the spectral and biological effects of the lateral scatter . Methods: A general purpose Monte Carlo simulation engine (MCNPX 2.7c) installed on a Scientific Linux cluster, calculated the dose deposition spectrum of protons, knock on electrons and generated neutrons for a proton beam with maximal kinetic energy of 200MeV. Around the beam at different positions in the beam direction the spectrum is calculated in concentric rings of thickness 1cm. The deposited dose is converted to a double strand break map using an analytical expression.based on micro dosimetric calculations using a phenomenological Monte Carlo code (MCDS). A strict version of RBE is defined as the ratio of generation of double strand breaks in the different modalities. To generate the reference a Varian linac was modelled in MCNPX and the generated electron dose deposition spectrum was used . Results: On a pristine point source 200MeV beam the RBE before the Bragg peak was of the order of 1.1, increasing to 1.7 right behind the Bragg peak. When using a physically more realistic beam of 10cm diameter the effect was smaller. Both the lateral dose and RBE increased with increasing beam depth, generating a dose deposition with mixed biological effect. Conclusions: The dose deposition in proton beams need to be carefully examined because the biological effect will be different depending on the treatment geometry. Deeply penetrating proton beams generate more biologically effective lateral scatter.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

WE-G-17A-03: MRIgRT: Quantification of Organ Motion

Purpose: To develop an MRI-based methodology and tools required for the quantification of organ motion on a dedicated MRI-guided radiotherapy system. A three-room facility, consisting of a TrueBeam 6X linac vault, a 1.5T MR suite and a brachytherapy interventional room, is currently under commissioning at our institution. The MR scanner can move and image in either room for diagnostic and treatment guidance purposes. Methods: A multi-imaging modality (MR, kV) phantom, featuring programmable 3D simple and complex motion trajectories, was used for the validation of several image sorting algorithms. The testing was performed on MRI (e.g. TrueFISP, TurboFLASH), 4D CT and 4D CBCT. The image sorting techniques were based on a) direct image pixel manipulation into columns or rows, b) single and aggregated pixel data tracking and c) using computer vision techniques for global pixel analysis. Subsequently, the motion phantom and sorting algorithms were utilized for commissioning of MR fast imaging techniques for 2D-cine and 4D data rendering. MR imaging protocols were optimized (e.g. readout gradient strength vs. SNR) to minimize the presence of susceptibility-induced distortions, which were reported through phantom experiments and numerical simulations. The system-related distortions were also quantified (dedicated field phantom) and treated as systematic shifts where relevant. Results: Image sorting algorithms were validated for specific MR-based applications such as quantification of organ motion, local data sampling, and 4D MRI for pre-RT delivery with accuracy better than the raw image pixel size (e.g. 1 mm). MR fast imaging sequences were commissioning and imaging strategies were developed to mitigate spatial artifacts with minimal penalty on the image spatial and temporal sampling. Workflows (e.g. liver) were optimized to include the new motion quantification tools for RT planning and daily patient setup verification. Conclusion: Comprehensive methods were developed and validated for the quantification of organ motion with applications in MRI-guided RT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-C-304-03: Experimental Investigation On the Accuracy of Plastic Scintillation Dosimeters in Small Fields

Purpose: To investigate the accuracy of the Exradin W1 (SI) and of an “in-house” plastic scintillation dosimeter (CHUQ PSD) in small radiation fields. Methods: Output factor (OF) measurements with the W1 and CHUQ PSD were performed for field sizes of 0.5 x 0.5, 1 x 1 and 2 x 2 cm{sup 2}. Both detectors were placed parallel to the central axis (CAX) in water. The spectrum discrimination calibration method was performed in each set-up to account for the Cerenkov (CRV) signal created in the fiber. The OFs were compared to the expected field factors in water derived using i) Monte Carlo (MC) simulations of an accurate accelerator model and ii) microLion (PTW) and D1V diode (SI) OFs. MC-derived correction factors were applied to both the microLion and D1V OFs. For the CHUQ PSD the calibration was repeated in water (// CAX), solid water (perpendicular to CAX) and under a shielded configuration. The signal was collected using a spectrometer (wavelength range = 185–1100 nm). Spectral analysis was performed to evaluate potential changes of the spectral distributions under the various calibration set-up configurations. Results: The W1 OFs presented an over-response for the 0.5 x 0.5 cm{sup 2} in the range of 3 – 4.1% relative to the expected field factor. The CHUQ PSD presented an under-response in the range of 1.5 – 2.7%, without accounting for volume averaging. The CRV spectra under the various calibration procedures appeared similar to each other and only minor changes were observed to the respective OFs. Conclusion: The W1 and CHUQ PSD can be used in small fields down to a 1 x 1 cm{sup 2} field size. Discrepancies were encountered between the two detectors for the smallest field size of 0.5 x 0.5 cm{sup 2} with the CHUQ PSD exhibiting a closer agreement to the expected field factor. Funding sources: 1) Alexander S. Onassis Public Benefit Foundation in Greece and 2) CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council, Grant number: 432290, RGPIN-2014-06475.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Machine learning for data-driven discovery in solid Earth geoscience

Understanding the behavior of Earth through the diverse fields of the solid Earth geosciences is an increasingly important task. It is made challenging by the complex, interacting, and multiscale processes needed to understand Earth’s behavior and by the inaccessibility of nearly all of Earth’s subsurface to direct observation. Substantial increases in data availability and in the increasingly realistic character of computer simulations hold promise for accelerating progress, but developing a deeper understanding based on these capabilities is itself challenging. Machine learning will play a key role in this effort. We review the state of the field and make recommendations for how progress might be broadened and accelerated.

Bergen, Karianne J.↗
DOE OSTI2022

LANL Contributions to pyiron: An integrated development environment for computational materials science

To support and accelerate the development of simulation protocols in atomistic modelling, we introduce an integrated development environment (IDE) for computational materials science called pyiron (http://pyiron.org). The pyiron IDE combines a web based source code editor, a job management system for build automation, and a hierarchical data management solution. The core components of the pyiron IDE are pyiron objects based on an abstract class, which links application structures such as atomistic structures, projects, jobs, simulation protocols and computing resources with persistent storage and an interactive user environment. The simulation protocols within the pyiron IDE are constructed using the Python programming language. To highlight key concepts of this tool as well as to demonstrate its ability to simplify the implementation and testing of simulation protocols we discuss two applications. In these examples we show how pyiron supports the whole life cycle of a typical simulation, seamlessly combines ab initio with empirical potential calculations, and how complex feedback loops can be implemented. While originally developed with focus on ab initio thermodynamics simulations, the concepts and implementation of pyiron are general thus allowing to employ it for a wide range of simulation topics.

Janssen, Jan↗
DOE OSTI2018

Numerical Simulations of Space Charge Compensation with an Electron Lens

The future high energy physics program at Fermilab requires that the proton complex operate with beam bunch intensities four times larger than is currently handled. At these intensities space charge nonlinear defocussing effects cause unacceptable particle losses especially in the low energy rapid-cycling-synchrotron (RCS) Booster. Focusing electron lens elements may offer a solution by providing partial space charge compensation but there is a need for detailed simulations as this technique has not been demonstrated. We report on high fidelity numerical 6D space charge simulations in a model accelerator lattice with a record high space charge tune shift approaching unity.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Simulation of Transparent Spin Experiment in RHIC

The transparent spin mode has been proposed as a new technique for preservation and control of the spin polarization of an ion beam in a synchrotron. The ion rings of the proposed Jefferson Lab Electron-Ion Collider adopted this technique in their figure-8 design. The transparent spin mode can also be setup in a racetrack with two identical Siberian snakes. There is a proposal to test the predicted features of the spin transparent mode in RHIC, which already has all of the necessary hardware capabilities. We have earlier analytically estimated the setup parameters and developed a preliminary experimental plan. In this paper we describe simulations of the proposed experiment using a Zgoubi model of RHIC. We present simulation of the polarization preservation during acceleration in the transparent spin mode. We also demonstrate polarization control by simulating an adiabatic polarization adjustment. A procedure to measure the strength of the spin transparent resonance is illustrated.

Morozov, Vasiliy↗
DOE OSTI2016

ER@CEBAF: Modeling code developments

A proposal for a multiple-pass, high-energy, energy-recovery experiment using CEBAF is under preparation in the frame of a JLab-BNL collaboration. In view of beam dynamics investigations regarding this project, in addition to the existing model in use in Elegant a version of CEBAF is developed in the stepwise ray-tracing code Zgoubi, Beyond the ER experiment, it is also planned to use the latter for the study of polarization transport in the presence of synchrotron radiation, down to Hall D line where a 12 GeV polarized beam can be delivered. This Note briefly reports on the preliminary steps, and preliminary outcomes, based on an Elegant to Zgoubi translation.

43 PARTICLE ACCELERATORS↗