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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Code for Experiment in Publication “Sensitivity Analysis in the Presence of Intrinsic Stochasticity for Discrete Fracture Network Simulations”

Following the Open Research requirements for AGU journals, we must release the code used to perform the experiment described in our recent publication, posted at (https://arxiv.org/abs/2312.04722). This code fits a joint emulator to data from a Discrete Fracture Network (DFN) simulation, performed using the open-source software DFNworks (https://dfnworks.lanl.gov/). All code to be released implements existing methods; there are no novel algorithms nor any major innovations to existing software.

Murph, Alexander↗
DOE OSTI2024

Code for Experiment in Publication “Determining the dominant factors for carbon-1 mineralization in three-dimensional fracture networks”

We plan to release the code used to perform the experiment described in our recent publication, entitled “Determining the dominant factors for carbon-1 mineralization in three-dimensional fracture networks.” This code fits a joint emulator to data from several Discrete Fracture Network (DFN) simulations, performed using the open-source software DFNworks (https://dfnworks.lanl.gov/). All code to be released implements existing methods; there are no novel algorithms nor any major innovations to existing software.

Murph, Alexander↗
DOE OSTI2021

Seismic Source Modeling Software Enhancements (FY21)

Seismic source modeling allows researchers both to simulate how a source that induces seismic waves interacts with the Earth to produce observed seismograms and, inversely, to infer what the time histories, sizes, and force distributions were for a seismic source given observed seismograms. In this report, we discuss improvements made in FY21 to our software as applies to both the forward and inverse seismic source modeling problems. For the forward portion of the problem, we have added the ability to use full 3-D nonlinear simulations by implementing 3-D time varying boundary conditions within Sandia’s linear seismic code Parelasti. Secondly, on the inverse source modeling side, we have developed software that allows us to invert seismic gradiometer-derived observations in conjunction with standard translational motion seismic data to infer properties of the source that may improve characterization in certain circumstances. First, we describe the basic theory behind each software enhancement and then demonstrate the software in action with some simple examples.

58 GEOSCIENCES↗
DOE OSTI2013

Explicit estimation of higher order modes in fission source distribution of Monte-Carlo calculation

Magnitude of higher order modes in fission source distribution of a multi-group Monte-Carlo calculation is estimated using the orthogonal property of forward and adjoint fission source distributions. Calculation capability of the forward and adjoint fission source distributions for fundamental and higher order modes are implemented in the AEGIS code, which is a two-dimensional transport code based on the method of characteristics. With the calculation results of the AEGIS code, magnitudes of the first to fifth higher order modes in fission source distribution obtained by the multi-group Monte-Carlo code GMVP are estimated. There are two contributions in the present study - (1) establishment of a surrogate model, which represents convergence of fission source distribution taking into account the inherent statistical 'noise' of higher order modes of Monte-Carlo calculations and (2) independent confirmation of the estimated dominance ratio in a Monte-Carlo calculation. The surrogate model would contribute to studies of the inter-cycle correlation and estimation of sufficient number of inactive/active cycles. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

3D modeling of deep borehole electromagnetic measurements with energized casing source for fracture mapping at the Utah Frontier Observatory for Research in Geothermal Energy

Here, we present a 3D numerical modelling analysis evaluating the deployment of a borehole electromagnetic measurement tool to detect and image a stimulated zone at the Utah Frontier Observatory for Research in Geothermal Energy geothermal site. As the depth to the geothermal reservoir is several kilometres and the size of the stimulated zone is limited to several 100 m, surface-based controlled-source electromagnetic measurements lack the sensitivity for detecting changes in electrical resistivity caused by the stimulation. To overcome the limitation, the study evaluates the feasibility of using a three-component borehole magnetic receiver system at the Frontier Observatory for Research in Geothermal Energy site. To provide sufficient currents inside and around the enhanced geothermal reservoir, we use an injection well as an energized casing source. To efficiently simulate energizing the injection well in a realistic 3D resistivity model, we introduce a novel modelling workflow that leverages the strengths of both 3D cylindrical-mesh-based electromagnetic modelling code and 3D tetrahedral-mesh-based electromagnetic modelling code. The former is particularly well-suited for modelling hollow cylindrical objects like casings, whereas the latter excels at representing more complex 3D geological structures. In this workflow, our initial step involves computing current densities along a vertical steel-cased well using a 3D cylindrical electromagnetic modelling code. Subsequently, we distribute a series of equivalent current sources along the well's trajectory within a complex 3D resistivity model. We then discretize this model using a tetrahedral mesh and simulate the borehole electromagnetic responses excited by the casing source using a 3D finite-element electromagnetic code. This multi-step approach enables us to simulate 3D casing source electromagnetic responses within a complex 3D resistivity model, without the need for explicit discretization of the well using an excessive number of fine cells. We discuss the applicability and limitations of this proposed workflow within an electromagnetic modelling scenario where an energized well is deviated, such as at the Frontier Observatory for Research in Geothermal Energy site. Using the workflow, we demonstrate that the combined use of the energized casing source and the borehole electromagnetic receiver system offer measurable magnetic field amplitudes and sensitivity to the deep localized stimulated zone. The measurements can also distinguish between parallel-fracture anisotropic reservoirs and isotropic cases, providing valuable insights into the fracture system of the stimulated zone. Besides the magnetic field measurements, vertical electric field measurements in the open well sections are also highly sensitive to the stimulated zone and can be used as additional data for detecting and imaging the target. We can also acquire additional multiple-source data by grounding the surface electrode at various locations and repeating borehole electromagnetic measurements. This approach can increase the number of monitoring data by several factors, providing a more comprehensive dataset for analysing the deep-localized stimulated zone. The numerical analysis indicates that it is feasible to use the combination of the energized casing and downhole electromagnetic measurements in monitoring localized stimulated zone at large depths.

58 GEOSCIENCES↗
DOE OSTI2016

A time-dependent neutron transport method of characteristics formulation with time derivative propagation

A new time-dependent Method of Characteristics (MOC) formulation for nuclear reactor kinetics was developed utilizing angular flux time-derivative propagation. This method avoids the requirement of storing the angular flux at previous points in time to represent a discretized time derivative; instead, an equation for the angular flux time derivative along 1D spatial characteristics is derived and solved concurrently with the 1D transport characteristic equation. This approach allows the angular flux time derivative to be recast principally in terms of the neutron source time derivatives, which are approximated to high-order accuracy using the backward differentiation formula (BDF). This approach, called Source Derivative Propagation (SDP), drastically reduces the memory requirements of time-dependent MOC relative to methods that require storing the angular flux. An SDP method was developed for 2D and 3D applications and implemented in the computer code DeCART in 2D. DeCART was used to model two reactor transient benchmarks: a modified TWIGL problem and a C5G7 transient. The SDP method accurately and efficiently replicated the solution of the conventional time-dependent MOC method using two orders of magnitude less memory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

EMPulse, a new 3-D simulation code for EMP formation and propagation

EMPulse is a comprehensive and modern 3-D simulation code for electro-magnetic pulse (EMP) formation and propagation studies, being developed at LLNL under a Laboratory Directed R&D (LDRD) initiative that was launched in the fall of 2014. Furthermore, EMPulse builds upon the open-source Warp particle-in-cell code framework which was developed by members of this team and collaborators at other institutions. Our goal of this endeavor is a new tool, using methods different from those in common use, and enabling the detailed and self-consistent study of multidimensional effects in geometries that have typically been treated only approximately. We describe the underlying Warp framework and its capabilities; the models that have been or are being newly developed and incorporated into EMPulse, tests of these models, and number of approaches to increased computational efficiency that we are studying.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Modifications of impurity transport and divertor sources by lithium wall conditioning in the National Spherical Torus Experiment

In the National Spherical Torus Experiment (NSTX), lithium coatings are evaporated on graphite plasma facing components (PFCs) for wall conditioning. In lithium-conditioned H-mode discharges, carbon accumulation is observed with core concentrations <10%, leading to a lack of density control, while lithium ions have concentrations <0.1%. In this thesis, modifications of carbon and lithium divertor sources as well as scrape-off layer (SOL) and core transport due to lithium conditioning are studied. Spectroscopic impurity influxes (measured by filtered cameras) and 2D multi-fluid edge transport simulations via the UEDGE code are employed to study divertor impurity sources and SOL transport, respectively. Core transport of carbon and lithium is analyzed using the impurity transport code MIST and the neoclassical transport codes NEO and NCLASS. A reduction of the carbon sputtering yield in the lower divertor is observed with lithium evaporation. However, weaker divertor impurity retention resulting from reduced recycling (inferred from UEDGE simulations) and the possible importance of wall sources can counteract this reduction in divertor carbon influxes. The suppression of edge-localized-modes (ELMs) is the primary cause of the increased carbon inventories in lithium-conditioned discharges, leading to lack of density control. Deviations from neoclassical predictions for carbon transport are observed at the pedestal top in lithium-conditioned discharges, indicating the presence of anomalous outward convection. While the lithium sputtering yield from lithium-coated graphite in the divertor is consistent with physical and temperature-enhanced sputtering, a strong reduction in ionized lithium influxes is observed, possibly due to prompt re-deposition. The different poloidal source distribution and the stronger divertor retention for lithium (inferred from UEDGE simulations) contribute to a lower edge lithium source with respect to carbon. The latter is due to the shorter lithium ionization mean-free-path and weaker classical parallel forces. The high neoclassical lithium diffusivity, due to collisions with carbon ions, is partially responsible for the low lithium core densities. Furthermore, the higher neoclassical levels make lithium transport closer to neoclassical expectations. The NSTX-Upgrade baseline scenario includes lithium coatings on graphite PFCs for deuterium particle control. While the remarkably good lithium divertor retention makes it an attractive choice, the suppression of ELMs leads to carbon accumulation and therefore to the need to develop impurity mitigation techniques.

impurity trasport↗
DOE OSTI2022

Combined Thermal-Water Microgrid Model

SAND2022-3874 O The Combined Thermal-Water Microgrid Model is a set of three models combined with controls algorithms for a Water Thermal Storage (WTS), Ground Source Heat Pump (GSHP), and Thermal Bridge Loop (TBL) that serves a residential neighborhood. The model allows a parametric investigation of volume of water storage versus number of ground heat exchanger bore-holes versus seasonal energy efficiency measures. The code is being released as open source so that the entire study can be replicated per an open access journal publication. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Villa, Daniel↗
DOE OSTI2014

A 2D Particle in Cell model for ion extraction and focusing in electrostatic accelerators

Negative ions are fundamental to produce intense and high energy neutral beams used to heat the plasma in fusion devices. The processes regulating the ion extraction involve the formation of a sheath on a scale comparable to the Debye length of the plasma. On the other hand, the ion acceleration as a beam is obtained on distances greater than λ{sub D}. The paper presents a model for both the phases of ion extraction and acceleration of the ions and its implementation in a numerical code. The space charge of particles is deposited following usual Particle in Cell codes technique, while the field is solved with finite element methods. Some hypotheses on the beam plasma transition are described, allowing to model both regions at the same time. The code was tested with the geometry of the NIO1 negative ions source, and the results are compared with existing ray tracing codes and discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Modelling low Mach number stellar hydrodynamics with MAESTROeX

Modelling long-time convective flows in the interiors of stars is extremely challenging using conventional compressible hydrodynamics codes due to the acoustic timestep limitation. Many of these flows are in the low Mach number regime, which allows us to exploit the relationship between acoustic and advective time scales to develop a more computationally efficient approach. MAESTROeX is an open source low Mach number stellar hydrodynamics code that allows much larger timesteps to be taken, therefore enabling systems to be modelled for much longer periods of time. This is particularly important for the problem of convection in the cores of rotating massive stars prior to core collapse. To fully capture the dynamics, it is necessary to model these systems in three dimensions at high resolution over many rotational periods. We present an overview of MAESTROeX's current capabilities, describe ongoing work to incorporate the effects of rotation and discuss how we are optimising the code to run on GPUs.

Harpole, A.↗
DOE OSTI2019

Gauge structures: From stabilizer codes to continuum models

Stabilizer codes are a powerful method for implementing fault-tolerant quantum memory and in the case of topological codes, they form useful models for topological phases of matter. In this paper, we discuss the theory of stabilizer codes as a discrete version of a linear gauge structure, a concept we introduce here. A linear gauge structure captures all the familiar ingredients of U(1) gauge theory including a generalization of charge conservation, Maxwell equations and topological terms. Using this connection, we prove some important results for stabilizer codes which can be used to characterize their error-correction properties. However, this perspective does not depend on any particular Hamiltonian or Lagrangian, which as a consequence is agnostic to the source of the gauge redundancy. Based upon the connection to stabilizer codes, we view the source of the gauge redundancy as an ambiguity in the tensor product structure of the Hilbert space. That is, the gauge provides a set of equivalent but arbitrary ways to factorize the Hilbert space. We apply this formalism to the d=2 and 3 toric code as well as the paradigm fracton models, X-Cube and Haah’s cubic code. From this perspective, we are able to map all these models to some continuum version which captures all or some of the fractonic and topological features of their parent discrete models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Computational models of direct and indirect X‐ray breast imaging detectors for in silico trials

Abstract Background To facilitate in silico studies that investigate digital mammography (DM) and breast tomosynthesis (DBT), models replicating the variety in imaging performance of the DM and DBT systems, observed across manufacturers are needed. Purpose The main purpose of this work is to develop generic physics models for direct and indirect detector technology used in commercially available systems, with the goal of making them available open source to manufacturers to further tweak and develop the exact in silico replicas of their systems. Methods We recently reported on an in silico version of the SIEMENS Mammomat Inspiration DM/DBT system using an open‐source GPU‐accelerated Monte Carlo x‐ray imaging simulation code (MC‐GPU). We build on the previous version of the MC‐GPU codes to mimic the imaging performances of two other Food and Drug Administration (FDA)‐approved DM/DBT systems, such as Hologic Selenia Dimensions (HSD) and the General Electric Senographe Pristina (GSP) systems. In this work, we developed a hybrid technique to model the optical spread and signal crosstalk observed in the GSP and HSD systems. MC simulations are used to track each x‐ray photon till its first interaction within the x‐ray detector. On the other hand, the signal spread in the x‐ray detectors is modeled using previously developed analytical equations. This approach allows us to preserve the modeling accuracy offered by MC methods in the patient body, while speeding up secondary carrier transport (either electron–hole pairs or optical photons) using analytical equations in the detector. The analytical optical spread model for the indirect detector includes the depth‐dependent spread and collection of optical photons and relies on a pre‐computed set of point response functions that describe the optical spread as a function of depth. To understand the capabilities of the computational x‐ray detector models, we compared image quality metrics like modulation transfer function (MTF), normalized noise power spectrum (NNPS), and detective quantum efficiency (DQE), simulated with our models against measured data. Please note that the purpose of these comparisons with measured data would be to gauge if the model developed as part of this work could replicate commercially used direct and indirect technology in general and not to achieve perfect fits with measured data. Results We found that the simulated image quality metrics such as MTF, NNPS, and DQE were in reasonable agreement with experimental data. To demonstrate the imaging performance of the three DM/DBT systems, we integrated the detector models with the VICTRE pipeline and simulated DM images of a fatty breast model containing a spiculated mass and a calcium oxalate cluster. In general, we found that the images generated using the indirect model appeared more blurred with a different noise texture and contrast as compared to the systems with direct detectors. Conclusions We have presented computational models of three commercially available FDA‐approved DM/DBT systems, which implement both direct and indirect detector technology. The updated versions of the MC‐GPU codes that can be used to replicate three systems are available in open source format through GitHub.

Sengupta, Aunnasha↗
DOE OSTI2023

Methodology to Generate the Decay Gamma Source for a Second Target Station Target Wedge

This report details the specifics of applying the Position-Averaged Method methodology for the calculation of the rotating lasagna-style target wedge activation and the resulting decay gamma source terms. The methodology uses MCNP® Code Version 6.2.0 with the RNUCS patch coupled with CINDER2008 from the AARE V1.0 package. The process begins with model preparations that include ensuring impurities are included in the materials in the regions of interest along with segmentation of the geometry in order to capture the decay gamma source gradients. This report also details the physics models and other MCNP®, CINDER2008, and ADVANTG 3.2.0 related options used to calculate the decay gamma source terms. ADVANTG 3.2.0 is used to generate a weight window set to aid in convergence of the neutron fluxes in the initial MCNP® protons-on-target particle transport calculation to calculate the neutron fluxes and spallation products in the regions of interest. The neutron fluxes and spallation products are then used in the CINDER2008 transmutation calculation, and the decay gamma sources are generated by the AARE_GAMMA_SOURCE_SCRIPT as a part of the AARE V1.0 package. These decay gamma sources include the energy distributions as well as the necessary distributions to sample the location of the source using the cell rejection method. The gamma sources that are produced using the methodology may be used for a wide variety of analysis involving the target wedge. This report includes the material specifications, physics options, proton source term description, geometrical configuration, and post-processing details.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Logical error rates for the surface code under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions

With fault-tolerant quantum computing (FTQC) on the horizon, it is critical to understand sources of logical errors in plausible hardware implementations of quantum error-correcting codes. Detailed error modeling of computational instructions on particular FTQC architectures will enable the better prediction of error propagation in FT-encoded quantum circuits while revealing where greater attention is needed in hardware design. In this work, we consider logical error rates for the surface code implemented on a hypothetical grid-based trapped-ion quantum charge-coupled device architecture. Specifically, we construct logical channels for the idling surface code and examine its diamond error under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions. We include the coherent dephasing noise that is known to accumulate during physical qubit idling and transport in these systems, determining idling and transport durations using the time-resolved output of an open-source trapped-ion surface code compiler. To estimate expectation values of logical Pauli observables following hardware circuits containing non-Clifford sources of noise, we utilize a Monte Carlo technique to sample from an underlying quasiprobability distribution of Clifford circuits that we independently simulate in a phase-sensitive fashion. We verify error suppression up to code distance 𝑑 = 11 at coherent dephasing rates near and below those of current-generation trapped-ion quantum computers and find that logical error rates align with those of analogous fully stochastic simulations in this regime. Exploring higher dephasing rates at 𝑑 = 3−5, we find evidence for growing coherent rotations about all three logical Pauli axes, increased diagonal logical error process matrix elements relative to those of stochastic simulations, and a reduced dephasing rate threshold. Overall, our work paves a way toward realistic hardware emulation of small fault-tolerant quantum processes, e.g., members of an FTQC instruction set.

Quantum benchmarking↗
DOE OSTI2015

User's Guide for RESRAD-OFFSITE

The RESRAD-OFFSITE code can be used to model the radiological dose or risk to an offsite receptor. This User’s Guide for RESRAD-OFFSITE Version 3.1 is an update of the User’s Guide for RESRAD-OFFSITE Version 2 contained in the Appendix A of the User’s Manual for RESRAD-OFFSITE Version 2 (ANL/EVS/TM/07-1, DOE/HS-0005, NUREG/CR-6937). This user’s guide presents the basic information necessary to use Version 3.1 of the code. It also points to the help file and other documents that provide more detailed information about the inputs, the input forms and features/tools in the code; two of the features (overriding the source term and computing area factors) are discussed in the appendices to this guide. Section 2 describes how to download and install the code and then verify the installation of the code. Section 3 shows ways to navigate through the input screens to simulate various exposure scenarios and to view the results in graphics and text reports. Section 4 has screen shots of each input form in the code and provides basic information about each parameter to increase the user’s understanding of the code. Section 5 outlines the contents of all the text reports and the graphical output. It also describes the commands in the two output viewers. Section 6 deals with the probabilistic and sensitivity analysis tools available in the code. Section 7 details the various ways of obtaining help in the code.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Exploring Sustainability in Scientific Software through Code Quality & Test Coverage Metrics

Context: Scientific open-source software (SciOSS) plays a foundational role in research and engineering, yet its long-term sustainability has often been overlooked and remains a significant concern. Objective: This study investigates the long-term sustainability of SciOSS through code and test quality metrics. Method: We analyze CASS Software Portfolio projects, classifying them by sustainability and comparing their code structure, test coverage, and links between code quality and testing across the dataset. Results: Sustainable projects show higher, more consistent test coverage and clearer code-test correlations, while unsustainable ones show weaker patterns. Overall, test coverage is low in scientific software, and high complexity and coupling reduce testability. Conclusion: In this study, we present a practical, data-driven approach for assessing sustainability in scientific software, offering a foundation for evaluating long-term software health and supporting future efforts in quality assurance and sustainability monitoring.

Md mushfiqur rahman, Sheikh [University of Tenness↗
DOE OSTI2016

Balmer-α spectrum measurements of the LHD one-third ion source

Wavelength spectra of Balmer-α light from plasmas in the extraction region of the Large Helical Device-R&D negative ion source, or the LHD one-third ion source have exhibited a blue shift as a negative bias voltage was applied to the plasma grid. The blue shift increased as the negative bias voltage with respect to the local plasma potential was increased. The measured spectra were compared with the velocity distributions of surface reflected hydrogen atoms calculated by atomic collisions in amorphous target code. The arc power and the source H{sub 2} pressure also affected the shift and broadening in the observed Balmer-α spectra. The possibility of identifying the negative hydrogen ions produced at the low work function plasma grid surface by high resolution spectroscopy is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗