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Train and use machine learning models; select protein sequences for simulation and laboratory testing. Code implements key decision steps in this process. Provided for review purposes and public release.
This Fortran code is to accompany a manuscript to be submitted to Computers & Geosciences, a high-impact, peer-reviewed journal in computer methods for geosciences research. This Fortran code focuses on generation of synthetic geological models using a multi-randomization strategy. Generating high-fidelity synthetic geological models, including realistic seismic reflector migration images, faults, salt bodies, and relative geological time images, is the key for many supervised machine learning methods that aim to delineate faults and other geological properties of interest from seismic migration images. Our package contains two major functionalities: generating 2D synthetic random geological models and generating 3D synthetic random geological models. In each step of the generation process, we set random values for key properties of a geological model to improve the fidelity of the resulting geological model. The package also includes example codes on how to use the random geological model generation subroutines. We name this package RGM – Random Geological Model generation package.
As part of its broad objective to support advanced reactor development, the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has a strong interest in developing simulation capabilities to address chemistry and corrosion issues for molten salt reactors (MSRs). To that end, the Structural Materials & Chemistry (SMC) technical area within the NEAMS program is developing a set of codes and databases to describe the behavior of molten salts and their interactions with structural materials. This document reviews the current activities with respect to MSR-relevant codes and is an effort to improve their integration in simulating MSR systems. Interoperability between the codes being developed is critical for the success of the NEAMS-developed MSR simulation capability. This is greatly facilitated by having codes based on the MOOSE framework when possible, and by developing interfaces to MOOSE-based tools for those tools that are not based on that framework.
This review discusses the most recent developments of the plasma simulation code Cloudy and its application to the, emission-line regions of quasars. The longterm goal is to develop the tools needed to determine the chemical composition of the emitting gas and the luminosity of the central engine for any emission line source. Emission lines and the underlying thermal continuum are formed in plasmas that are far from thermodynamic equilibrium. Their thermal and ionization states are the result of a balance of a vast set of microphysical processes. Once produced, radiation must, propagate out of the (usually) optically thick source. No analytic solutions are possible, and recourse to numerical simulations is necessary. I am developing the large-scale plasma simulation code Cloudy as an investigative tool for this work, much as an observer might build a spectrometer. This review describes the current version of Cloudy, version 94. It describes improvements made since the, release of the previous version, C90. The major recent, application has been the development of the "Locally Optimally-Emitting Cloud" (LOC) model of AGN emission line regions. Powerful selection effects, introduced by the atomic physics and line formation process, permit individual lines to form most efficiently only near certain selected parameters. These selection effects, together with the presence of gas with a wide range of conditions, are enough to reproduce the spectrum of a typical quasar with little dependence on details. The spectrum actually carries little information to the identity of the emitters. I view this as a major step forward since it provides a method to handle accidental details at the source, so that we can concentrate on essential information such as the luminosity or chemical composition of the quasar.
Deployment of variable camber concepts on helicopter rotors was analytically assessed. It was determined that variable camber extended the operating range of helicopters provided that the correct compromise can be obtained between performance/loads gains and mechanical complexity. A number of variable camber concepts were reviewed on a two dimensional basis to determine the usefulness of leading edge, trailing edge and overall camber variation schemes. The most powerful method to vary camber was through the trailing edge flaps undergoing relatively small motions (-5 deg to +15 deg). The aerodynamic characteristics of the NASA/Ames A-1 airfoil with 35% and 50% plain trailing edge flaps were determined by means of current subcritical and transonic airfoil design methods and used by rotor performance and loads analysis codes. The most promising variable camber schedule reviewed was a configuration with a 35% plain flap deployment in an on/off mode near the tip of a blade. Preliminary results show approximately 11% reduction in power is possible at 192 knots and a rotor thrust coefficient of 0.09. The potential demonstrated indicates a significant potential for expanding the operating envelope of the helicopter. Further investigation into improving the power saving and defining the improvement in the operational envelope of the helicopter is recommended.
Uncertainties in estimating health risks from galactic cosmic rays greatly limit space mission lengths and potential risk mitigation evaluations. NASA limits astronaut exposures to a 3% risk of exposure-induced death and protects against uncertainties using an assessment of 95% confidence intervals in the projection model. Revisions to this model for lifetime cancer risks from space radiation and new estimates of model uncertainties are described here. We review models of space environments and transport code predictions of organ exposures, and characterize uncertainties in these descriptions. We summarize recent analysis of low linear energy transfer radio-epidemiology data, including revision to Japanese A-bomb survivor dosimetry, longer follow-up of exposed cohorts, and reassessments of dose and dose-rate reduction effectiveness factors. We compare these projections and uncertainties with earlier estimates. Current understanding of radiation quality effects and recent data on factors of relative biological effectiveness and particle track structure are reviewed. Recent radiobiology experiment results provide new information on solid cancer and leukemia risks from heavy ions. We also consider deviations from the paradigm of linearity at low doses of heavy ions motivated by non-targeted effects models. New findings and knowledge are used to revise the NASA risk projection model for space radiation cancer risks.
The theory of limiter-discriminator detection of a frequency shift keyed (FSK) carrier is reviewed and this theory is used to predict the bit error probability performance of Manchester coded and nonreturn-to-zero (NRZ) coded data. A major result of the study is that the predetection time bandwidth product BT and the deviation ratio h needed to give optimum performance for Manchester coding are seen to be larger than optimum NRZ FSK. Specifically, BT of about 2 and h of about 1 will result in Manchester performance about 2 dB worse than optimum NRZ.
This work describes the Plasma Simulation Code (psc), an explicit, electromagnetic particle-in-cell code with support for different order particle shape functions. We review the basic components of the particle-in-cell method as well as the computational architecture of the psc code that allows support for modular algorithms and data structure in the code. We then describe and analyze in detail a distinguishing feature of psc: patch-based load balancing using space-filling curves which is shown to lead to major efficiency gains over unbalanced methods and a previously used simpler balancing method.
Idaho National Laboratory (INL) performed an Annual Effectiveness Review of the Integrated Safety Management System (ISMS), per 48 Code of Federal Regulations (CFR) 970.5223 1, “Integration of Environment, Safety and Health into Work Planning and Execution.” The annual review assessed Integrated Safety Management (ISM) effectiveness, provided feedback to maintain system integrity, and identified target areas for focused improvements and assessments for fiscal year (FY) 2013. Results of the FY 2012 annual effectiveness review demonstrated that the INL’s ISMS program was significantly strengthened. Actions implemented by the INL demonstrate that the overall Integrated Safety Management System is sound and ensures safe and successful performance of work while protecting workers, the public, and environment. This report also provides several opportunities for improvement that will help further strengthen the ISM Program and the pursuit of safety excellence. Demonstrated leadership and commitment, continued surveillance, and dedicated resources have been instrumental in maturing a sound ISMS program. Based upon interviews with personnel, reviews of assurance activities, and analysis of ISMS process implementation, this effectiveness review concludes that ISM is institutionalized and is “Effective”.
Idaho National Laboratory (INL) performed an Annual Effectiveness Review of the Integrated Safety Management System (ISMS), per 48 Code of Federal Regulations (CFR) 970.5223 1, “Integration of Environment, Safety and Health into Work Planning and Execution.” The annual review assessed Integrated Safety Management (ISM) effectiveness, provided feedback to maintain system integrity, and identified target areas for focused improvements and assessments for Fiscal Year (FY) 2014. Results of the FY 2013 annual effectiveness review demonstrate that the INL’s ISMS program is “Effective” and continually improving and shows signs of being significantly strengthened. Although there have been unacceptable serious events in the past, there has also been significant attention, dedication, and resources focused on improvement, lessons learned and future prevention. BEA’s strategy of focusing on these improvements includes extensive action and improvement plans that include PLN 4030, “INL Sustained Operational Improvement Plan, PLN 4058, “MFC Strategic Excellence Plan,” PLN 4141, “ATR Sustained Excellence Plan,” and PLN 4145, “Radiological Control Road to Excellence,” and the development of LWP 20000, “Conduct of Research.” As a result of these action plans, coupled with other assurance activities and metrics, significant improvement in operational performance, organizational competence, management oversight and a reduction in the number of operational events is being realized. In short, the realization of the fifth core function of ISMS (feedback and continuous improvement) and the associated benefits are apparent.
The final review for the FY20 Advanced Simulation and Computing (ASC) Integrated Codes (IC) L2 Milestone #7181 was conducted on August 31, 2020 at Sandia National Laboratories in Albuquerque, New Mexico. The review panel unanimously agreed that the milestone has been successfully completed. Roshan Quadros (1543) led the milestone team and various members from the team presented the results. The review panel was comprised of staff from Sandia National Laboratories Albuquerque and California that are involved with computational engineering modeling and analysis. The panel consisted of experts in the fields of solid modeling, discretization, meshing, simulation workflows, and computational analysis including personnel Brett Clark (1543, Chair); Jay Foulk (8363); Jackie Moore (1553); Ron Kensek (1341); Ed Hoffman (8753); Dan Ibanez (1443). The presentation documented the technical approach of the team and summarized the results with sufficient detail to demonstrate both the value and the completion of the milestone. A separate SAND report was also generated with more detail to supplement the presentation. The purpose of the milestone was to advance capabilities for automatically finding, displaying, and resolving geometric overlaps in CAD models.
The US Department of Energy (DOE), Office of Nuclear Energy (NE), is supporting the development of an ASME Code Case for adoption of 12Cr-1Mo-VW ferritic/martensitic (F/M) steel, commonly known as HT-9, primarily for use in elevated temperature design of liquid-metal fast reactors (LMFR) and components. In 2011, Los Alamos National Laboratory (LANL) nuclear engineering staff began assisting in the development of a small modular reactor (SMR) design concept, previously known as the Hyperion Module, now called the Gen4 Module. LANL staff immediately proposed HT-9 for the reactor vessel and components, as well as fuel clad and ducting, due to its superior thermal qualities. Although the ASME material Code Case, for adoption of HT-9 as an approved elevated temperature material for LMFR service, is the ultimate goal of this project, there are several key deliverables that must first be successfully accomplished. The most important key deliverable is the research, accumulation, and documentation of specific material parameters; physical, mechanical, and environmental, which becomes the basis for an ASME Code Case. Time-independent tensile and ductility data and time-dependent creep and creep-rupture behavior are some of the material properties required for a successful ASME Code case. Although this report provides a cursory review of the available data, a much more comprehensive study of open-source data would be necessary. This report serves three purposes: (a) provides a list of already existing material data information that could ultimately be made available to the ASME Code, (b) determines the HT-9 material properties data missing from available sources that would be required and (c) estimates the necessary material testing required to close the gap. Ultimately, the gap analysis demonstrates that certain material properties testing will be required to fulfill the necessary information package for an ASME Code Case.
Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code using versions 4.0.3is and 2.4.2is. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions changed between these two code versions and can be used to identify cases in which the assessment judgment may need to be changed in Volume III of the code manual. Changes to the assessment judgments made after reviewing all of the assessment cases are also provided.
The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.
Progress in experiment and simulation capability in the lower hybrid range of frequencies (LHRF) at ITER relevant parameters is reviewed. Use of LH power in reactor devices is motivated in terms of its potential for efficient off-axis current profile control. Recent improvements in simulation capability including the development of full-wave field solvers, inclusion of the scrape off layer (SOL) in wave propagation codes, the use of coupled ray tracing / full-wave / 3D (r v{sub ⊥}, v{sub ∥}) Fokker Planck models, and the inclusion of nonlinear broadening effects in ray tracing / Fokker Planck codes are discussed. Experimental and modeling results are reviewed which are aimed at understanding the spectral gap problem in LH current drive (LHCD) and the density limit that has been observed in LHCD experiments. Physics mechanisms that could be operative in these experiments are discussed, including toroidally induced variations in the parallel wavenumber, nonlinear broadening of the pump wave, scattering of LH waves from density fluctuations in the SOL, and spectral broadening at the plasma edge via full-wave effects.
Progress in experiment and simulation capability in the lower hybrid range of frequencies at ITER relevant parameters is reviewed. Use of LH power in reactor devices is motivated in terms of its potential for efficient off-axis current profile control. Recent improvements in simulation capability including the development of full-wave field solvers, inclusion of the scrape off layer (SOL) in wave propagation codes, the use of coupled ray tracing/full-wave/3D (r v{sub ⊥}, v{sub //}) Fokker Planck models, and the inclusion of wave scattering as well as nonlinear broadening effects in ray tracing / Fokker Planck codes are discussed. Experimental and modeling results are reviewed which are aimed at understanding the spectral gap problem in LH current drive (LHCD) and the density limit that has been observed and mitigated in LHCD experiments. Physics mechanisms that could be operative in these experiments are discussed, including toroidally induced variations in the parallel wavenumber, nonlinear broadening of the pump wave, scattering of LH waves from density fluctuations in the SOL, and spectral broadening at the plasma edge via full-wave effects.
The history of distortion analysis is traced back to its origin in parallel compressor theory which was initially proposed in the late fifties. The development of this theory is reviewed up to its inclusion in the complex computer codes of today. It is found to be a very useful tool to guide development but not quantitative enough to predict compatibility. Dynamic or instantaneous distortion methodology is also reviewed from its origins in the sixties, to its current application in the eighties. Many of the requirements for interpreting instantaneous distortion are considered and illustrated. Statistical methods for predicting the peak distortion are described, and their limitations and advantages discussed. Finally, some Reynolds number and scaling considerations for inlet testing are considered. It is concluded that the deterministic instantaneous distortion methodology combined with distortion testing of engines with screens will remain the primary method of predicting compatibility for the near future. However, parallel compressor analysis and statistical peak distortion prediction will be important tools employed during the development of inlet/engine compatibility.
The history of distortion analysis is traced back to its origin in parallel compressor theory which was initially proposed in the late fifties. The development of this theory is reviewed up to its inclusion in the complex computer codes of today. It is found to be a very useful tool to guide development but not quantitative enough to predict compatibility. Dynamic or instantaneous distortion methodology is also reviewed from its origins in the sixties, to its current application in the eighties. Many of the requirements for interpreting instantaneous distortion are considered and illustrated. Statistical methods for predicting the peak distortion are described, and their limitations and advantages discussed. Finally, some Reynolds number and scaling considerations for inlet testing are considered. It is concluded that the deterministic instantaneous distortion methodology combined with distortion testing of engines with screens will remain the primary method of predicting compatibility for the near future. However, parallel compressor analysis and statistical peak distortion prediction will be important tools employed during the development of inlet/engine compatibility. Previously announced in STAR as N83-27991