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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗
DOE OSTI2022

Report on General Hydrogen Safety

Hydrogen is an important resource for many different industries throughout the world, including refining, manufacturing, and as a direct energy source. Hydrogen production, through methods such as steam methane reforming, has been developed over several decades. There is a large global demand for hydrogen from these industries and safe production and distribution are paramount for hydrogen systems. Codes and standards have been developed to reduce the risk associated with hydrogen accidents to the public. These codes and standards are similar to those in other industries in which there is inherent risk to the public, such as gasoline and natural gas production and distribution. Although there will always be a risk to the public in these types of fuels, the codes and standards are developed to reduce the likelihood of an accident occurring and reduce the severity of impact, should one occur. This report reviews the current state of hydrogen in the United States and outlines the codes and standards that ensure safe operation of hydrogen systems. The total hydrogen demand and use in different industries is identified. Additionally, the current landscape of hydrogen production and fueling stations in the United States is outlined. The safety of hydrogen systems is discussed through an overview of the purpose, methods, and content included in codes and standards. As outlined in this safety overview, the risk to the public in operation of hydrogen generation facilities and fueling stations is reduced through implementation of appropriate measures. Codes, such as NFPA 2, ensure that the risk associated with a hydrogen system is no greater than the risk presented by gasoline refueling stations.

08 HYDROGEN↗
DOE OSTI2021

A New Modeling Framework for Multi-Scale Simulation of Hydraulic Fracturing and Production from Unconventional Reservoirs

This paper describes a new modeling framework for microscopic to reservoir-scale simulations of hydraulic fracturing and production. The approach builds upon a fusion of two existing high-performance simulators for reservoir-scale behavior: the GEOS code for hydromechanical evolution during stimulation and the TOUGH+ code for multi-phase flow during production. The reservoir-scale simulations are informed by experimental and modeling studies at the laboratory scale to incorporate important micro-scale mechanical processes and chemical reactions occurring within the fractures, the shale matrix, and at the fracture-fluid interfaces. These processes include, among others, changes in stimulated fracture permeability as a result of proppant behavior rearrangement or embedment, or mineral scale precipitation within pores and microfractures, at µm to cm scales. In our new modeling framework, such micro-scale testing and modeling provides upscaled hydromechanical parameters for the reservoir scale models. We are currently testing the new modeling framework using field data and core samples from the Hydraulic Fracturing Field Test (HFTS), a recent field-based joint research experiment with intense monitoring of hydraulic fracturing and shale production in the Wolfcamp Formation in the Permian Basin (USA). Below, we present our approach coupling the reservoir simulators GEOS and TOUGH+ informed by upscaled parameters from micro-scale experiments and modeling. We provide a brief overview of the HFTS and the available field data, and then discuss the ongoing application of our new workflow to the HFTS data set.

58 GEOSCIENCES↗
NASA NTRS2010

Evaluation of the VIIRS Land Algorithms at Land PEATE

The Land Product Evaluation and Algorithm Testing Element (Land PEATE), a component of the Science Data Segment of the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP), is being developed at the NASA Goddard Space Flight Center (GSFC). The primary task of the Land PEATE is to assess the quality of the Visible Infrared Imaging Radiometer Suite (VIIRS) Land data products made by the Interface Data Processing System (IDPS) using the Operational (OPS) Code during the NPP era and to recommend improvements to the algorithms in the IDPS OPS code. The Land PEATE uses a version of the MODIS Adaptive Processing System (MODAPS), NPPDAPS, that has been modified to produce products from the IDPS OPS code and software provided by the VIIRS Science Team, and uses the MODIS Land Data Operational Product Evaluation (LDOPE) team for evaluation of the data records generated by the NPPDAPS. Land PEATE evaluates the algorithms by comparing data products generated using different versions of the algorithm and also by comparing to heritage products generated from different instrument such as MODIS using various quality assessment tools developed at LDOPE. This paper describes the Land PEATE system and some of the approaches used by the Land PEATE for evaluating the VIIRS Land algorithms during the pre-launch period of the NPP mission and the proposed plan for long term monitoring of the quality of the VIIRS Land products post-launch.

Wolfe, Robert E.↗
NASA NTRSDate not supplied

Fostering Better Collaboration in Software Development Cycles Between Scientists and Programmers to Ensure the Integrity of and Promote the Development of New Scientific Data Products.

Misaligned incentives lead to reduced interaction between scientists and programmers on modern NASA science data-product development teams. Typically, situations arise where the scientist is not incentivized to learn modern coding practices and the programmer does not understand the science algorithms in the code. A programmer is responsible for the deliverable code thus setting a tradeoff between the desire for code improvement versus fear of compromising the integrity of data-product while the scientist continues to rely on their legacy codebases owing to the complexity of using the delivered code outside the processing environment and lack of validation modules. The NASA/CERES-TISA project has adopted a collaborative approach, with scientists and programmers both utilizing the same software repository with multiple branches, some optimized for delivery to a processing datacenter and others for scientific product development and validation. A team of scientists and programmers jointly review any new science code updates for integration into the codebase and strive to improve practices through promoting algorithm understanding, better institutional knowledge exchange and documentation, modularization, and developing data processing flow-dictated validation and debugging methods. This leads to a reduction in the personnel single point failures and reduced development time for creation of new science data-products.

CERES↗
DOE OSTI2021

Griffin-m

Griffin-m is a MOOSE-based reactor multiphysics application that streamlines the analysis of a variety of nuclear multiphysics simulations, including steady-state and transient radiation transport, core performance, fuel depletion, criticality and decay heat calculations, reprocessing and post-irradiation examination. This streamlining is accomplished via enhanced flexibility of the tools, uniform syntax in the MOOSE framework, dynamic linking of all relevant physics and a single point of execution. The design for flexible multi-physics, multi-radiation, multi-scheme tasks demands and ultimately makes Griffin-m a highly extendable code system. A software quality assurance (SQA) procedure is enforced during Griffin-m development. The Griffin-m version will be the main production version and it includes the MCC3 code, which was originally developed at Argonne National Laboratory to prepare cross sections for fast reactors.

Ortensi, Javier [Idaho National Laboratory (INL), ↗
DOE OSTI2025

Fission Product Yield Modeling and Evaluation

Although independent and cumulative fission product yields have been a part of evaluated libraries for decades, there have been few updates over the years. The fission product yield sub-library in the ENDF/B-VIII.0 library is still largely based on the evaluation of England and Rider from the mid-90’s, with only more recent updates to the energy dependence of 239 Pu below 2 MeV and fixes to isomeric states and missing fission products. Over the past several years, there have been a wealth of new measurements of independent and cumulative fission product yields, particularly those with short half-lives, and there have been significant improvements in the modeling of prompt and delayed fission observables. Here, we describe recent progress in the improvement of fission product yield calculations, using the BeoH code and the underlying Hauser Fesh-bach Fission Fragment Decay (HF 3 D) model, developed at Los Alamos National Laboratory. We will describe our recent calculations for consistent prompt and delayed fission observables for major and minor actinides, including new work investigating isomeric ratios. We will detail the ongoing evaluation process for energy-dependent fission product yields from thermal up to 20 MeV incident neutron energy and some validation work that has been performed for these new fission product yield calculations. Additionally, we will discuss future perspectives of this work, highlighting the need for additional data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

HIPSTER (Harmonized Impacts across Products, Scenarios, and Technologies for Environmental and Resource metrics) [SWR-24-17]

Development of a prototype, code-based life cycle assessment framework, the Harmonized Impacts across Products, Scenarios, and Technologies for Environmental and Resource metrics (HIPSTER), to coherently assess outputs of prospective NREL models across environmental and resource use metrics. Eventually, HIPSTER is aimed to also cover socioeconomic and justice metrics. At present, NREL model scenario impact assessments are performed incoherently, as they as based on varying assumptions and inputs, specifically life cycle inventories, and cover different system boundaries. HIPSTER was created to align the assumptions and boundaries with those of cradle-to-grave life cycle assessment. In FY22, HIPSTER was successfully applied using scenarios from the ReEDS™ model, NREL's flagship capacity expansion model resulting in cradle-to-grace time-series life cycle impacts across LCA midpoints and resource use metrics.

Ghosh, Tapajyoti↗
DOE OSTI2024

A One‐Pot Biocatalytic Cascade to Access Diverse l ‐Phenylalanine Derivatives from Aldehydes or Carboxylic Acids

Abstract Nonstandard amino acids (nsAAs) that are l ‐phenylalanine derivatives with aryl ring functionalization have long been harnessed in natural product synthesis, therapeutic peptide synthesis, and diverse applications of genetic code expansion. Yet, to date, these chiral molecules have often been the products of poorly enantioselective and environmentally harsh organic synthesis routes. Here, we reveal the broad specificity of multiple natural pyridoxal 5′‐phosphate (PLP)‐dependent enzymes, specifically an l ‐threonine transaldolase, a phenylserine dehydratase, and an aminotransferase, toward substrates that contain aryl side chains with diverse substitutions. We exploit this tolerance to construct a one‐pot biocatalytic cascade that achieves high‐yield synthesis of 18 diverse l ‐phenylalanine derivatives from aldehydes under mild aqueous reaction conditions. We demonstrate the addition of a carboxylic acid reductase module to this cascade to enable the biosynthesis of l ‐phenylalanine derivatives from carboxylic acids that may be less expensive or less reactive than the corresponding aldehydes. Finally, we investigate the scalability of the cascade by developing a lysate‐based route for preparative‐scale synthesis of 4‐formyl‐ l ‐phenylalanine, a nsAA with a bio‐orthogonal handle that is not readily market‐accessible. Overall, this work offers an efficient, versatile, and scalable route with the potential to lower manufacturing costs and democratize synthesis for many valuable nsAAs.

Anderson, Shelby R. [Department of Chemical and Bi↗
NASA NTRS1977

Bonded Lubricants

Another spinoff to the food processing industry involves a dry lubricant developed by General Magnaplate Corp. of Linden, N.J. Used in such spacecraft as Apollo, Skylab and Viking, the lubricant is a coating bonded to metal surfaces providing permanent lubrication and corrosion resistance. The coating lengthens equipment life and permits machinery to be operated at greater speed, thus increasing productivity and reducing costs. Bonded lubricants are used in scores of commercia1 applications. They have proved particularly valuable to food processing firms because, while increasing production efficiency, they also help meet the stringent USDA sanitation codes for food-handling equipment. For example, a cookie manufacturer plagued production interruptions because sticky batter was clogging the cookie molds had the brass molds coated to solve the problem. Similarly, a pasta producer faced USDA action on a sanitation violation because dough was clinging to an automatic ravioli-forming machine; use of the anti-stick coating on the steel forming plates solved the dual problem of sanitation deficiency and production line downtime.

Source record↗
NASA NTRS2009

Refactoring and Componentizing Legacy Codes: GMI Case Study

As Earth science applications grow increasingly complex over time, maintenance of such software becomes a significant challenge. In general, the software subsystems were designed, implemented and integrated (over an extended period of time) by different groups that did not follow the same software design standard. The objective was understandably to obtain scientific results quickly, but this goal was often achieved at the expense of good software practices. With that pattern of development, the cost of incremental changes to the applications grow ominously large. This increase in effort, tends to squeeze development resources and largely prevent any systematic attempt to reintroduce better software practices and thereby enhance the maintainability of the software. In this paper, we present the process we used to incrementally refactor and componentize the Global Modeling Initiative code to make it more understandable, maintainable, flexible and extensible. The resulting product not only preserves the scientific integrity of the original code but also extends the capabilities of the code for several applications.

Kouatchou, Jules↗
NASA NTRS2004

Serial-Turbo-Trellis-Coded Modulation with Rate-1 Inner Code

Serially concatenated turbo codes have been proposed to satisfy requirements for low bit- and word-error rates and for low (in comparison with related previous codes) complexity of coding and decoding algorithms and thus low complexity of coding and decoding circuitry. These codes are applicable to such high-level modulations as octonary phase-shift keying (8PSK) and 16-state quadrature amplitude modulation (16QAM); the signal product obtained by applying one of these codes to one of these modulations is denoted, generally, as serially concatenated trellis-coded modulation (SCTCM). These codes could be particularly beneficial for communication systems that must be designed and operated subject to limitations on bandwidth and power. Some background information is prerequisite to a meaningful summary of this development. Trellis-coded modulation (TCM) is now a well-established technique in digital communications. A turbo code combines binary component codes (which typically include trellis codes) with interleaving. A turbo code of the type that has been studied prior to this development is composed of parallel concatenated convolutional codes (PCCCs) implemented by two or more constituent systematic encoders joined through one or more interleavers. The input information bits feed the first encoder and, after having been scrambled by the interleaver, enter the second encoder. A code word of a parallel concatenated code consists of the input bits to the first encoder followed by the parity check bits of both encoders. The suboptimal iterative decoding structure for such a code is modular, and consists of a set of concatenated decoding modules one for each constituent code connected through an interleaver identical to the one in the encoder side. Each decoder performs weighted soft decoding of the input sequence. PCCCs yield very large coding gains at the cost of a reduction in the data rate and/or an increase in bandwidth.

Divsalar, Dariush↗
DOE OSTI2023

Multinucleon transfer mechanism in Cf 250 + Th 232 collisions using the quantal transport description based on the stochastic mean-field approach

Production cross sections of heavy neutron-rich isotopes are calculated by employing quantal transport description in 250 Cf + 232 Th collisions. This quantal transport description is based on the stochastic mean-field approach, and it provides a microscopic approach beyond time-dependent Hartree-Fock theory to include mean-field fluctuations. Deexcitation of primary fragments is determined by employing the statistical GEMINI++ code. Here, calculations provide predictions for production cross sections of neutron rich transfermium isotopes without any adjustable parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

FAST-1.0 Software Acceptance Testing Report

The purpose of this document is to detail the software testing of FAST-1.0 through unit, integration, and assessment tests. More than 400 tests were designed to provide coverage of the requirements for FAST-1.0. These requirements were developed in the NRC Statement of Work (SOW) for NRC Agreement Number NRC-HQ-25-14-D-001 and are transcribed to this document as part of the Software Quality Assurance Plan for the FAST Code System, PNNL-28767. FAST 1.0 represents the merger of the FRAPCON and FRAPTRAN codes and as such FAST-1.0 performs steady state and transient fuel performance calculations described below. FAST-1.0 calculates the steady state response of light-water reactor fuel rods during long-term burnup. The code calculates temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: 1) heat conduction through fuel and cladding to the coolant; 2) cladding elastic and plastic deformation; 3) fuel-cladding mechanical interaction; 4) fission gas release from the fuel and rod internal pressure; and 5) cladding oxidation. FAST is used to perform independent calculations for regulatory evaluations of fuel performance under normal operation and anticipated operational occurrences (AOOs). FAST calculates the temperature and deformation history of a fuel rod as a function of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by FAST include: 1) heat conduction; 2) heat transfer from cladding to coolant; 3) elastic-plastic fuel and cladding deformation; 4) cladding oxidation; 5) fission gas release; and 6) fuel rod gas pressure. FAST code assessment, development and maintenance drive a significant portion of the NRC fuel research activities and the tools are used in a substantial number of regulatory products. Given the centrality of the FAST code to the effectiveness of fuel research, it is critical to assess, develop and maintain this tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2008

AERONET-OC: Strengths and Weaknesses of a Network for the Validation of Satellite Coastal Radiometric Products

The Ocean Color component of the Aerosol Robotic Network (AERONET-OC) has been implemented to support long-term satellite ocean color investigations through cross-site consistent and accurate measurements collected by autonomous radiometer systems deployed on offshore fixed platforms. The ultimate purpose of AERONET-OC is the production of standardized measurements performed at different sites with identical measuring systems and protocols, calibrated using a single reference source and method, and processed with the same code. The AERONET-OC primary data product is the normalized water leaving radiance determined at center-wavelengths of interest for satellite ocean color applications, with an uncertainty lower than 5% in the blue-green spectral regions and higher than 8% in the red. Measurements collected at 6 sites counting the northern Adriatic Sea, the Baltic Proper, the Gulf of Finland, the Persian Gulf, and, the northern and southern margins of the Middle Atlantic Bay, have shown the capability of producing quality assured data over a wide range of bio-optical conditions including Case-2 yellow substance- and sedimentdominated waters. This work briefly introduces network elements like: deployment sites, measurement method, instrument calibration, processing scheme, quality-assurance, uncertainties, data archive and products accessibility. Emphases is given to those elements which underline the network strengths (i.e., mostly standardization of any network element) and its weaknesses (i.e., the use of consolidated, but old-fashioned technology). The work also addresses the application of AERONET-OC data to the validation of primary satellite radiometric products over a variety of complex coastal waters and finally provides elements for the identification of new deployment sites most suitable to support satellite ocean color missions.

Zibordi, Giuseppe↗
DOE OSTI2024

Aeroelastic code comparison using the IEA 22MW reference turbine

Reference wind turbine designs and the associated aeroelastic models are widely used in both research and industry. Reference models representing future concepts are of particular interest. Current state of the art aeroelastic tools are relied upon to design the next generation of large wind turbines. However, modelling assumptions may be invalidated by upcoming very large turbines, and different aeroelastic tools may give inconsistent results. A 22MW turbine model has been defined as part of International Energy Agency (IEA) Wind Task 55 on Reference Wind Turbines and Farms to represent future turbines to be deployed in the 2030s. In this study, an aeroelastic model of this turbine has been created in four tools; Bladed, HAWC2, OpenFAST, and QBlade. Code comparisons are presented for steady state operation, linear stability analysis, and time domain power production simulations in steady and turbulent wind. Generally, the codes show a good agreement, but with some differences present in the linear stability analysis, periodic azimuthal variation, and time domain simulations. The models are a good basis for further study with the IEA 22MW turbine, and further code comparison exercises.

17 WIND ENERGY↗
NASA NTRS2008

Generating Safety-Critical PLC Code From a High-Level Application Software Specification

The benefits of automatic-application code generation are widely accepted within the software engineering community. These benefits include raised abstraction level of application programming, shorter product development time, lower maintenance costs, and increased code quality and consistency. Surprisingly, code generation concepts have not yet found wide acceptance and use in the field of programmable logic controller (PLC) software development. Software engineers at Kennedy Space Center recognized the need for PLC code generation while developing the new ground checkout and launch processing system, called the Launch Control System (LCS). Engineers developed a process and a prototype software tool that automatically translates a high-level representation or specification of application software into ladder logic that executes on a PLC. All the computer hardware in the LCS is planned to be commercial off the shelf (COTS), including industrial controllers or PLCs that are connected to the sensors and end items out in the field. Most of the software in LCS is also planned to be COTS, with only small adapter software modules that must be developed in order to interface between the various COTS software products. A domain-specific language (DSL) is a programming language designed to perform tasks and to solve problems in a particular domain, such as ground processing of launch vehicles. The LCS engineers created a DSL for developing test sequences of ground checkout and launch operations of future launch vehicle and spacecraft elements, and they are developing a tabular specification format that uses the DSL keywords and functions familiar to the ground and flight system users. The tabular specification format, or tabular spec, allows most ground and flight system users to document how the application software is intended to function and requires little or no software programming knowledge or experience. A small sample from a prototype tabular spec application is shown.

Source record↗
NASA NTRS2012

Test Driven Development of Scientific Models

Test-Driven Development (TDD) is a software development process that promises many advantages for developer productivity and has become widely accepted among professional software engineers. As the name suggests, TDD practitioners alternate between writing short automated tests and producing code that passes those tests. Although this overly simplified description will undoubtedly sound prohibitively burdensome to many uninitiated developers, the advent of powerful unit-testing frameworks greatly reduces the effort required to produce and routinely execute suites of tests. By testimony, many developers find TDD to be addicting after only a few days of exposure, and find it unthinkable to return to previous practices. Of course, scientific/technical software differs from other software categories in a number of important respects, but I nonetheless believe that TDD is quite applicable to the development of such software and has the potential to significantly improve programmer productivity and code quality within the scientific community. After a detailed introduction to TDD, I will present the experience within the Software Systems Support Office (SSSO) in applying the technique to various scientific applications. This discussion will emphasize the various direct and indirect benefits as well as some of the difficulties and limitations of the methodology. I will conclude with a brief description of pFUnit, a unit testing framework I co-developed to support test-driven development of parallel Fortran applications.

Clune, Thomas L.↗