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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Charged-particle transport in high energy density plasmas

This Special Topic Collection grew out of two gatherings of researchers active in the high energy density (HED) physics community: a mini-conference on charged-particle transport in HED plasma held during the 64th annual meeting of the American Physical Society's Division of Plasma Physics (Spokane, WA, November 2022) and a dedicated charged-particle transport coefficient code comparison workshop (Livermore, CA, July 2023). These gatherings provided opportunities for theoretical, computational, and experimental researchers to discuss the state of the field, including current capabilities and methods, needs of hydrodynamic simulations, and frontiers for future research. Finally, this special issue collects a total of 13 research and review articles on charged-particle transport in HED plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Density- and wavefunction-normalized Cartesian spherical harmonics for l ≤ 20

The widely used pseudoatom formalism in experimental X-ray charge-density studies makes use of real spherical harmonics when describing the angular component of aspherical deformations of the atomic electron density in molecules and crystals. The analytical form of the density-normalized Cartesian spherical harmonic functions for up to l ≤ 7 and the corresponding normalization coefficients were reported previously by Paturle & Coppens. It was shown that the analytical form for normalization coefficients is available primarily for l ≤ 4. Only in very special cases it is possible to derive an analytical representation of the normalization coefficients for 4 < l ≤ 7. In most cases for l > 4 the density normalization coefficients were calculated numerically to within seven significant figures. In this study we review the literature on the density-normalized spherical harmonics, clarify the existing notations, use the Paturle–Coppens method in the Wolfram Mathematica software to derive the Cartesian spherical harmonics for l ≤ 20 and determine the density normalization coefficients to 35 significant figures, and computer-generate a Fortran90 code. The article primarily targets researchers who work in the field of experimental X-ray electron density, but may be of some use to all who are interested in Cartesian spherical harmonics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Application of Crunch-Flow Routines to Constrain Present and Past Carbon Fluxes at Gas-Hydrate Bearing Sites

In November 2012, Oregon State University initiated the project entitled: Application of Crunch-Flow routines to constrain present and past carbon fluxes at gas-hydrate bearing sites. Within this project we developed Crunch-Flow based modeling modules that include important biogeochemical processes that need to be considered in gas hydrate environments. Our modules were applied to quantify carbon cycling in present and past systems, using data collected during several DOE-supported drilling expeditions, which include the Cascadia margin in US, Ulleung Basin in South Korea, and several sites drilled offshore India on the Bay of Bengal and Andaman Sea. Specifically, we completed modeling efforts that: 1) Reproduce the compositional and isotopic profiles observed at the eight drilled sites in the Ulleung Basin that constrain and contrast the carbon cycling pathways at chimney (high methane flux) and non-chimney sites (low methane, advective systems); 2) Simulate the Ba record in the sediments to quantify the past dynamics of methane flux in the southern Hydrate Ridge, Cascadia margin; and 3) Provide quantitative estimates of the thickness of individual mass transport deposits (MTDs), time elapsed after the MTD event, rate of sulfate reduction in the MTD, and time required to reach a new steady state at several sites drilled in the Krishna-Godavari (K-G) Basin off India. In addition we developed a hybrid model scheme by coupling a home-made MATLAB code with CrunchFlow to address the methane transport and chloride enrichment at the Ulleung Basins chimney sites, and contributed the modeling component to a study focusing on pore-scale controls on gas hydrate distribution in sediments from the Andaman Sea. These efforts resulted in two manuscripts currently under review, and contributed the modeling component of another pare, also under review. Lessons learned from these efforts are the basis of a mini-workshop to be held at Oregon State University (Feb 2014) to instruct graduate students (OSU and UW) as well as DOE staff from the NETL lab in Albany on the use of Crunch Flow for geochemical applications.

03 NATURAL GAS↗
DOE OSTI2017

Groundwater flow simulation of the Savannah River Site general separations area

The most recent groundwater flow model of the General Separations Area, Savannah River Site, is referred to as the “GSA/PORFLOW” model. GSA/PORFLOW was developed in 2004 by porting an existing General Separations Area groundwater flow model from the FACT code to the PORFLOW code. The preceding “GSA/FACT” model was developed in 1997 using characterization and monitoring data through the mid-1990’s. Both models were manually calibrated to field data. Significantly more field data have been acquired since the 1990’s and model calibration using mathematical optimization software has become routine and recommended practice. The current task involved updating the GSA/PORFLOW model using selected field data current through at least 2015, and use of the PEST code to calibrate the model and quantify parameter uncertainty. This new GSA groundwater flow model is named “GSA2016” in reference to the year in which most development occurred. The GSA2016 model update is intended to address issues raised by the DOE Low-Level Waste (LLW) Disposal Facility Federal Review Group (LFRG) in a 2008 review of the E-Area Performance Assessment, and by the Nuclear Regulatory Commission in reviews of tank closure and Saltstone Disposal Facility Performance Assessments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Advancing our understanding of instabilities in high-energy-density systems through the study of benchmark datasets with advanced modeling tools

Numerous types of pulsed power driven inertial confinement fusion (ICF) and high energy density (HED) systems rely on implosion stability to achieve desired temperatures, pressures, and densities. Sandia National Laboratories Pulsed Power Sciences Center’s main ICF platform, Magnetized Liner Inertial Fusion (MagLIF), suffers from implosion instabilities which limit attainable fuel conditions and can compromise fuel confinement. This Truman Fellowship research primarily focused on computationally exploring (a) methods for improving our understanding of hydrodynamic and magnetohydrodynamic instabilities that form during cylindrical liner implosions, (b) methods for mitigating implosion instabilities, particularly those that degrade performance of MagLIF targets, and (c) novel MagLIF target designs intended to improve target performance primarily via enhanced implosion stability. Several multi-dimensional computational tools were used, including the magnetohydrodynamics code ALEGRA, the radiation-magnetohydrodynamics code HYDRA, and the magnetohydrodynamics code KRAKEN. This research succeeded in executing and analyzing simulations of automagnetizing liner implosions, shockless MagLIF implosions, dynamic screw pinch driven cylindrical liner implosions, and cylindrically convergent HED instability studies. The methods and tools explored and developed in this Truman Fellowship research have been published in several peer-reviewed journal articles and will serve as useful contributions to the fields of pulsed power science and engineering, particularly pertaining to pulsed power ICF and HED science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

A discrepancy within primate spatial vision and its bearing on the definition of edge detection processes in machine vision

The visual perception of form information is considered to be based on the functioning of simple and complex neurons in the primate striate cortex. However, a review of the physiological data on these brain cells cannot be harmonized with either the perceptual spatial frequency performance of primates or the performance which is necessary for form perception in humans. This discrepancy together with recent interest in cortical-like and perceptual-like processing in image coding and machine vision prompted a series of image processing experiments intended to provide some definition of the selection of image operators. The experiments were aimed at determining operators which could be used to detect edges in a computational manner consistent with the visual perception of structure in images. Fundamental issues were the selection of size (peak spatial frequency) and circular versus oriented operators (or some combination). In a previous study, circular difference-of-Gaussian (DOG) operators, with peak spatial frequency responses at about 11 and 33 cyc/deg were found to capture the primary structural information in images. Here larger scale circular DOG operators were explored and led to severe loss of image structure and introduced spatial dislocations (due to blur) in structure which is not consistent with visual perception. Orientation sensitive operators (akin to one class of simple cortical neurons) introduced ambiguities of edge extent regardless of the scale of the operator. For machine vision schemes which are functionally similar to natural vision form perception, two circularly symmetric very high spatial frequency channels appear to be necessary and sufficient for a wide range of natural images. Such a machine vision scheme is most similar to the physiological performance of the primate lateral geniculate nucleus rather than the striate cortex.

Jobson, Daniel J.↗
NASA NTRS2010

Open Rotor Noise Prediction at NASA Langley - Capabilities, Research and Development

The high fuel prices of recent years have caused the operating cost of the airlines to soar. In an effort to bring down the fuel consumption, the major aircraft engine manufacturers are now taking a fresh look at open rotors for the propulsion of future airliners. Open rotors, also known as propfans or unducted fans, can offer up to 30 per cent improvement in efficiency compared to high bypass engines of 1980 vintage currently in use in most civilian aircraft. NASA Langley researchers have contributed significantly to the development of aeroacoustic technology of open rotors. This report discusses the current noise prediction technology at Langley and reviews the input data requirements, strengths and limitations of each method as well as the associated problems in need of attention by the researchers. We present a brief history of research on the aeroacoustics of rotating blade machinery at Langley Research Center. We then discuss the available noise prediction codes for open rotors developed at NASA Langley and their capabilities. In particular, we present the two useful formulations used for the computation of noise from subsonic and supersonic surfaces. Here we discuss the open rotor noise prediction codes ASSPIN and one based on Ffowcs Williams-Hawkings equation with penetrable data surface (FW - Hpds). The scattering of sound from surfaces near the rotor are calculated using the fast scattering code (FSC) which is also discussed in this report. Plans for further improvements of these codes are given.

Farassat, Fereidoun↗
DOE OSTI2022

North Dakota CarbonSAFE - A Success Story

Conference presentation at American Institute of Chemical Engineers (AIChE) Annual Meeting, Phoenix, AZ, November 13–18, 2022. The EERC and the project team leveraged North Dakota’s Class VI primacy status to prepare and submit successful applications for two storage facility permits and associated monitoring and UIC Class VI injection wells. The applications and their supporting documents were prepared in accordance with the North Dakota Century Code and the North Dakota Administrative Code and show the effectiveness of working with a state that has been granted Class VI primacy.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

SB14 Source Reduction Evaluation Review and Plan for the DOE California Sites

The Department of Energy (DOE) is the owner of multiple facilities in Northern California. The facilities include Lawrence Livermore National Laboratory (LLNL), Lawrence Berkeley National Laboratory (LBNL), Sandia National Laboratories/California (SNL/CA) and SLAC National Accelerator Laboratory (SLAC) among other sites. Through their operations, the facilities generate hazardous waste and, thereby, are subject to the requirements of Chapter 31 of the Title 22 California Code of Regulations, Waste Minimization. The Northern California sites are primarily research and development facilities in the areas relating to national security, high-energy physics, bioscience and the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Summary of LANL FY19 Technical Interface Coordination with SHINE

In FY19, Los Alamos National Laboratory (LANL) provided technical support for SHINE emergent needs and technical interface coordination including coordination of SHINE CFD and thermal hydraulics conference calls, Mo-99 meetings and reviews, national laboratory conference calls, and program management activities such as reporting and tracking requirements for current FY19 activities. LANL has also provided general technology consultation support for emerging issues. LANL has participated in the bi-weekly conference calls with SHINE and other national laboratories regarding LANL’s current activities. Activities discussed include FY18 carryover items including the ANSYS Fluent-Nek5000 comparison study (for assessment of Nek5000 for coupled calculations), Supo 3-D CFD model geometry validation, and releasing CFD-MCNP coupled codes for the generic solution vessel simulations. Also, additional mid-year funded activities discussed during these conference calls include the ANL bubble experiment #2 collaboration. SHINE had a general technology consultation request in FY19. SHINE inquired about LANL’s capability to measure enrichment percentage of uranium samples, however, additional information is needed to continue. The meeting minutes for these activities are shown in Appendix A. LANL has also been providing monthly updates on the laboratory SharePoint site (managed by Pacific Northwest National Laboratory) regarding current FY19 activities. Monthly updates include current activity milestone and deliverable status, completion date updates and variances if applicable, and actual cost at the task dependent activity level. LANL attended several Mo-99 meetings and reviews in FY19. LANL attended the FY19 Mo-99 Laboratory Mid-Year Program and Financial Review at Argonne National Laboratory (ANL) on March 20-21, 2019, as well as the FY19 Mo-99 Program Meeting and Mid-Year Financial Review in Chicago, IL on April 29-30, 2019. LANL also attended the FY20 Laboratory Work Package Planning Meeting at ANL on June 4-6, 2019.

43 PARTICLE ACCELERATORS↗
NASA NTRS1989

Molecular cloud cores and bimodal star formation

The phenomenon of bimodal star formation is reviewed in the context of supercritical and subcritical states for molecular clouds that are supported against their self-gravitation by magnetic fields. The governing set of equations is derived subject to the quasi-static and axisymmetric approximations. The method of numerical solution and tests of the resultant computer code are outlined. The results of the evolutionary calculations are discussed, emphasizing time scales, masses, and typical sizes of modeled cores that can be compared with observations. For a fixed mass, it is found that the level or turbulent support determines whether a dense core forms or not. This is used to generalize the concept of a critical mass to account for the contributions of turbulence and thermal pressures to the support of a cloud.

Lizano, Susana↗
DOE OSTI2014

SU-C-BRD-02: A Team Focused Clinical Implementation and Failure Mode and Effects Analysis of HDR Skin Brachytherapy Using Valencia and Leipzig Surface Applicators

Purpose: and Leipzig applicators (VLAs) are single-channel brachytherapy surface applicators used to treat skin lesions up to 2cm diameter. Source dwell times can be calculated and entered manually after clinical set-up or ultrasound. This procedure differs dramatically from CT-based planning; the novelty and unfamiliarity could lead to severe errors. To build layers of safety and ensure quality, a multidisciplinary team created a protocol and applied Failure Modes and Effects Analysis (FMEA) to the clinical procedure for HDR VLA skin treatments. Methods: team including physicists, physicians, nurses, therapists, residents, and administration developed a clinical procedure for VLA treatment. The procedure was evaluated using FMEA. Failure modes were identified and scored by severity, occurrence, and detection. The clinical procedure was revised to address high-scoring process nodes. Results: Several key components were added to the clinical procedure to minimize risk probability numbers (RPN): -Treatments are reviewed at weekly QA rounds, where physicians discuss diagnosis, prescription, applicator selection, and set-up. Peer review reduces the likelihood of an inappropriate treatment regime. -A template for HDR skin treatments was established in the clinical EMR system to standardize treatment instructions. This reduces the chances of miscommunication between the physician and planning physicist, and increases the detectability of an error during the physics second check. -A screen check was implemented during the second check to increase detectability of an error. -To reduce error probability, the treatment plan worksheet was designed to display plan parameters in a format visually similar to the treatment console display. This facilitates data entry and verification. -VLAs are color-coded and labeled to match the EMR prescriptions, which simplifies in-room selection and verification. Conclusion: Multidisciplinary planning and FMEA increased delectability and reduced error probability during VLA HDR Brachytherapy. This clinical model may be useful to institutions implementing similar procedures.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2004

Turbomachine Sealing and Secondary Flows: Review of Rotordynamics Issues in Inherently Unsteady Flow Systems With Small Clearances - Part 2

Today's computational methods enable the determination of forces in complex systems, but without field validation data, or feedback, there is a high risk of failure when the design envelope is challenged. The data of Childs and Bently and field data reported in NASA Conference Proceedings serve as sources of design information for the development of these computational codes. Over time all turbomachines degrade and instabilities often develop, requiring responsible, accurate, turbomachine diagnostics with proper decisions to prevent failures. Tam et al. (numerical) and Bently and Muszynska (analytical) models corroborate and implicate that destabilizing factors are related through increases in the fluid-force average circumferential velocity. The stability threshold can be controlled by external swirl and swirl brakes and increases in radial fluid film stiffness (e.g., hydrostatic and ambient pressures) to enhance rotor stability. Also cited are drum rotor self-excited oscillations, where the classic fix is to add a split or severed damper ring or cylindrical damper drum, and the Benkert-Wachter work that engendered swirl brake concepts. For a smooth-operating, reliable, long-lived machine, designers must pay very close attention to sealing dynamics and diagnostic methods. Correcting the seals enabled the space shuttle main engine high-pressure fuel turbopump (SSME HPFTP) to operate successfully.

Hendricks, R. C.↗
DOE OSTI2014

Fast optimization and dose calculation in scanned ion beam therapy

Purpose: Particle therapy (PT) has advantages over photon irradiation on static tumors. An increased biological effectiveness and active target conformal dose shaping are strong arguments for PT. However, the sensitivity to changes of internal geometry complicates the use of PT for moving organs. In case of interfractionally moving objects adaptive radiotherapy (ART) concepts known from intensity modulated radiotherapy (IMRT) can be adopted for PT treatments. One ART strategy is to optimize a new treatment plan based on daily image data directly before a radiation fraction is delivered [treatment replanning (TRP)]. Optimizing treatment plans for PT using a scanned beam is a time consuming problem especially for particles other than protons where the biological effective dose has to be calculated. For the purpose of TRP, fast optimization and fast dose calculation have been implemented into the GSI in-house treatment planning system (TPS) TRiP98. Methods: This work reports about the outcome of a code analysis that resulted in optimization of the calculation processes as well as implementation of routines supporting parallel execution of the code. To benchmark the new features, the calculation time for therapy treatment planning has been studied. Results: Compared to the original version of the TPS, calculation times for treatment planning (optimization and dose calculation) have been improved by a factor of 10 with code optimization. The parallelization of the TPS resulted in a speedup factor of 12 and 5.5 for the original version and the code optimized version, respectively. Hence the total speedup of the new implementation of the authors' TPS yielded speedup factors up to 55. Conclusions: The improved TPS is capable of completing treatment planning for ion beam therapy of a prostate irradiation considering organs at risk in this has been overseen in the review process. Also see below 6 min.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

LiverTox: Advanced QSAR and Toxicogeomic Software for Hepatotoxicity Prediction

YAHSGS LLC and Oak Ridge National Laboratory (ORNL) established a CRADA in an attempt to develop a predictive system using a pre-existing ORNL computational neural network and wavelets format. This was in the interest of addressing national needs for toxicity prediction system to help overcome the significant drain of resources (money and time) being directed toward developing chemical agents for commerce. The research project has been supported through an STTR mechanism and funded by the National Institute of Environmental Health Sciences beginning Phase I in 2004 (CRADA No. ORNL-04-0688) and extending Phase II through 2007 (ORNL NFE-06-00020). To attempt the research objectives and aims outlined under this CRADA, state-of-the-art computational neural network and wavelet methods were used in an effort to design a predictive toxicity system that used two independent areas on which to base the system’s predictions. These two areas were quantitative structure-activity relationships and gene-expression data obtained from microarrays. A third area, using the new Massively Parallel Signature Sequencing (MPSS) technology to assess gene expression, also was attempted but had to be dropped because the company holding the rights to this promising MPSS technology went out of business. A research-scale predictive toxicity database system called Multi-Intelligent System for Toxicogenomic Applications (MISTA) was developed and its feasibility for use as a predictor of toxicological activity was tested. The fundamental focus of the CRADA was an attempt and effort to operate the MISTA database using the ORNL neural network. This effort indicated the potential that such a fully developed system might be used to assist in predicting such biological endpoints as hepatotoxcity and neurotoxicity. The MISTA/LiverTox approach if eventually fully developed might also be useful for automatic processing of microarray data to predict modes of action. A technical paper describing the methods and technology used in the CRADA has been published. This paper was entitled “A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets” and appeared in an American Chemical Society peer-reviewed publication this year (J. Chem. Inf. Model. 47: 676685, 2007). A patent application was filed but later abandoned.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Mesh Convergence Issues

(U) This document is written to describe issues that impact on the ability of codes to converge to a unique answer. Several issues that could be discussed in the area of mesh convergence and resolution the topics include the resolution of geometry, stress gradients, shock propagation, material softening, and localization of deformation. After a quick discussion of what mesh convergence means, this paper presents a review of some of the criteria for mesh convergence. With an introductory level understanding of these criteria, two problems are presented to demonstrate convergence and non-­convergence. The first example is a simple convergent hemisphere of gas, known as the Noh problem. With this problem convergence is shown. The Noh problem is also used to investigate the impact of mesh stiffening, or viscosity. The second problem is that of an explosively driven hemisphere. The hemisphere made of U6Nb with an inner radius of 40 mm and an outer radius of 41 mm was filled with PBX9501 and tested. Test results included surface temperature and information on the breakup, such as distribution of fines. Convergence computational methods are discussed along with some proposals for obtaining mesh convergence for a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determining Unabated Airborne Radionuclide Emissions Monitoring Requirements Using Inventory-Based Methods

Compliance with the airborne radionuclide emission monitoring requirements in the National Emission Standards for Hazardous Air Pollutants (NESHAP; Title 40 of the U.S. Code of Federal Regulations Part 61, Subpart H) and State requirements in Washington Administrative Code 246–247: Radiation Protection – Air Emissions and 173-480: Ambient Air Quality Standards and Emission Limits for Radionuclides were evaluated for Pacific Northwest National Laboratory (PNNL) operations. Additional guidance may be found in the U.S. Department of Energy Handbook, Environmental Radiological Effluent Monitoring and Environmental Surveillance. To meet regulatory requirements, reviews of planned or proposed projects and activities provide the basis for implementing necessary monitoring adjustments or for implementing changes to projects and activities in a timely manner. Potential unabated offsite doses were evaluated for emission locations managed by PNNL and licensed to the Department of Energy. These locations were at facilities in Richland, Washington (i.e., the Hanford Site and PNNL Richland Campus) and in Sequim, Washington, (PNNL Marine Sciences Laboratory). This report describes the inventory-based methods and provides the results for the NESHAP assessment performed in 2017.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Procedure for Creating, Reviewing, and Submitting Input Files into the Benchmark Library

Los Alamos National Laboratory (LANL) has a number of criticality benchmark input files, modeled for use with MCNP, developed and maintained by various organizations including the Nuclear Criticality Safety (NCS) Division, XCP-3, and XCP-5. The purpose of this procedure is to standardize input file creation, review, and maintenance. This procedure incorporates existing practices used by IRSN as documented in the original report and the translation from French in addition to practices used by the LANL NCS Division as documented in. The report relates to input files used for the validation of the continuous energy Monte Carlo code MCNP6 but is general enough to be extended to other codes. This report describes the procedure on how to prepare and use benchmarks (taken mainly from the ICSBEP Handbook) for the validation of calculation routes. In particular, this report describes the procedure to follow in the creation of the input files and their integration in the experimental validation databases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗