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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Probabilistic Multi-Hazard Performance Assessment of Concrete Structures in Nuclear Installations

Concrete structures in nuclear installations are subject to time-dependent degradation mechanisms that can deteriorate their physical and mechanical properties, potentially exacerbating the risk of structural failure under external forces such as a seismic event. Previous research has extensively investigated the seismic response of nuclear concrete structures and the associated risk, as well as their effect on structural components safety margins. However, substantial work is still necessary to incorporate concrete aging effects into such evaluations. In fact, most models in the literature assume pristine concrete conditions and do not account for the impact of aging on the structural components’ fragility curves. This work identifies relevant time-dependent degradation mechanisms and provides simplified models to predict the the evolution of key material properties based on data from the literature. Namely, this work focuses on the aging effects of corrosion, alkali–silica reaction (ASR), and irradiation on reinforced concrete within US Department of Energy (DOE) nuclear facilities and nuclear power plants (NPP) structures. Furthermore, degradation models based on literature data are presented that define the relationship between probabilistic material properties and the concrete’s age. In this work, sampled material properties served as input for a simplified finite element model (FEM) of a critical nuclear structural system, with the output of the FEM being the seismic response for a given ground motion. The results of the FEM were then used within a probabilistic performance assessment with a statistically significant number of samples. The research presented herein addresses the detrimental effects of hazards caused by natural phenomena on deteriorated concrete elements of nuclear installations. This work directly benefits the safety analysis performed on US DOE/ National Nuclear Security Administration (NNSA) nuclear facilities located in areas prone to seismic activity. The results presented herein could aid in the improvement of DOE-STD-1020, the DOE Standard that addresses seismic risk analysis and capacity evaluation in DOE facilities. DOE-STD-1020 refers to the requirements in American Society of Civil Engineers (ASCE) 4-98, now superseded by ASCE 4-16, that shall be met in performing dynamic response analyses and generating in-structure response spectra, provided that such requirements are consistent with the requirements of ASCE/Structural Engineering Institute (SEI) 43-05. Moreover, the results presented herein could also aid in the updating of section C3.1.1. of ASCE 4-16 to account for the effects of aging on the stiffness of reinforced elements and American Concrete Institute (ACI) 349.3R-18, “Report on Evaluation and Repair of Existing Nuclear Safety-Related Concrete Structures.” Ultimately, this work can assist the risk assessment of potential lifetime extension of the existing US commercial nuclear fleet (light water reactors) and the safety analysis of the emerging advanced nuclear reactors. The proposed proof-of-concept methodology employs open-source DOE computational tools and is transferable to commercial software commonly used by engineering firms.

42 ENGINEERING↗
DOE OSTI2024

Introducing the Video In Situ Snowfall Sensor (VISSS)

The open-source Video In Situ Snowfall Sensor (VISSS) is introduced as a novel instrument for the characterization of particle shape and size in snowfall. The VISSS consists of two cameras with LED backlights and telecentric lenses that allow accurate sizing and combine a large observation volume with relatively high pixel resolution and a design that limits wind disturbance. VISSS data products include various particle properties such as maximum extent, cross-sectional area, perimeter, complexity, and sedimentation velocity. Initial analysis shows that the VISSS provides robust statistics based on up to 10 000 unique particle observations per minute. Comparison of the VISSS with the collocated PIP (Precipitation Imaging Package) and Parsivel instruments at Hyytiälä, Finland, shows excellent agreement with the Parsivel but reveals some differences for the PIP that are likely related to PIP data processing and limitations of the PIP with respect to observing smaller particles. The open-source nature of the VISSS hardware plans, data acquisition software, and data processing libraries invites the community to contribute to the development of the instrument, which has many potential applications in atmospheric science and beyond.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Verification and Validation of Multisegmented Mooring Capabilities in FAST v8: Preprint

The quasi-static and dynamic mooring modules of the open-source aero-hydro-servo-elastic wind turbine simulation software, FAST v8, have previously been verified and validated, but only for mooring arrangements consisting of single lines connecting each fairlead and anchor. This paper extends the previous verification and validation efforts to focus on the multisegmented mooring capability of the FAST v8 modules: MAP++, MoorDyn, and the OrcaFlex interface. The OC3-Hywind spar buoy system tested by the DeepCwind consortium at the MARIN ocean basin, which includes a multisegmented bridle layout of the mooring system, was used for the verification and validation activities.

17 WIND ENERGY↗
DOE OSTI2016

Verification and Validation of Multisegmented Mooring Capabilities in FAST v8

The quasi-static and dynamic mooring modules of the open-source aero-hydro-servo-elastic wind turbine simulation software, FAST v8, have previously been verified and validated, but only for mooring arrangements consisting of single lines connecting each fairlead and anchor. This paper extends the previous verification and validation efforts to focus on the multisegmented mooring capability of the FAST v8 modules: MAP++, MoorDyn, and the OrcaFlex interface. The OC3-Hywind spar buoy system tested by the DeepCwind consortium at the MARIN ocean basin, which includes a multisegmented bridle layout of the mooring system, was used for the verification and validation activities.

17 WIND ENERGY↗
DOE OSTI2020

Understanding Bifacial PV Modeling: Raytracing and View Factor Models

As part of the PV Magazine Webinar 'View-factor vs. ray tracing - which bifacial modelling techniques should you use?,' the second part lead by NREL will explore the different rear-irradiance calculation software, which fall into two categories: view-factor and ray-tracing models. View factor models assume isotropic scattering of reflected rays, allowing for calculation of irradiance by integration. Due-diligence software such as PVSyst or SAM use the view-factor model. Ray-tracing models simulate multipath reflection and absorption of individual rays entering a scene. Raytracing software such as bifacial_radiance, which is the only available open-source toolkit, offers the possibility of reproducing complex scenes, including shading or finite-system edge effects. This can be useful to evaluate specific system geometries, shading and obstructions, areas of different albedo and electrical mismatch, all topics of interest to the prediction of bifacial performance. Model agreement for view factors and bifacial_radiance software is improving and has been shown to be between 2% (absolute) when compared with measured results.

14 SOLAR ENERGY↗
DOE OSTI2021

Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy

Atom probe tomography, and related methods, probe the three-dimensional architecture of a material. The software tools that microscopists use, and how these tools are connected into workflows, makes a substantial contribution to the accuracy and precision of such a material characterization experiment. Typically, we adapt methods from other communities like mathematics, data science, computational geometry, artificial intelligence, or scientific computing. We also realize that improving on research data management is a challenge when it comes to align with the FAIR data stewardship principles. Faced with this global challenge, we are convinced that collaborating is useful. Here, we report the results and challenges with an inter-laboratory call for developing test cases for several types of atom probe software tools. The results support why defining detailed recipes of software workflows and sharing these recipes is necessary and rewarding: Open source tools and (meta)data exchange can help to make our day-to-day data processing tasks become more efficient, the training of new users and knowledge transfer become easier, and assist us with automated quantification of uncertainties to gain access to substantiated results.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Invited: Software defined accelerators from learning tools environment

Next generation systems, such as edge devices, will need to provide efficient processing of machine learning (ML) algorithms along several metrics, including energy, performance, area, and latency. However, the quickly evolving field of ML makes it extremely difficult to generate accelerators able to support a wide variety of algorithms. At the same time, designing accelerators in hardware description languages (HDLs) by hand is hard and time consuming, and does not allow quick exploration of the design space. In this paper we present the Software Defined Accelerators From Learning Tools Environment (SODALITE), an automated open source high-level ML framework-to-verilog compiler targeting ML Application-Specific Integrated Circuits (ASICs) chiplets. The SODALITE approach will implement optimal designs by seamlessly combining custom components generated through high-level synthesis (HLS) with templated and fully tunable Intellectural Properties (IPs) and macros, integrated in an extendable resource library. Through a closed loop design space exploration engine, developers will be able to quickly explore their hardware designs along different dimensions.

High-Level Synthesis, Accelerators, Hardware-Softw↗
DOE OSTI2016

OPENSTUDIO® [SWR-07-40]

OpenStudio® is a cross-platform (Windows, Mac, and Linux) collection of software tools to support whole building energy modeling using EnergyPlus and advanced daylight analysis using Radiance. OpenStudio is an open source (LGPL) project to facilitate community development, extension, and private sector adoption. OpenStudio includes graphical interfaces along with a Software Development Kit (SDK). In addition to the graphical interface, OpenStudio allows building researchers and software developers to quickly get started through its multiple entry levels, including access through C++, Ruby, and C#. Users can leverage the Ruby interface to create OpenStudio Measures that can be easily shared and applied to OpenStudio Models. OPENSTUDIO® IS A REGISTERED TRADEMARK OF ALLIANCE FOR SUSTAINABLE ENERGY, LLC, THE MANAGER AND OPERATOR OF THE NATIONAL RENEWABLE ENERGY LABORATORY.

Ball, Brian↗
DOE OSTI2019

Nonlinear Modeling of Ground Motions at Lotung LSST Site with Nested Surface Soil Constitutive Model

Seismic analyses of nuclear facilities require the use of validated numerical models that can realistically reproduce the response of soils during earthquakes. The nested surface nonlinear, hysteretic soil constitutive model is one of the soil constitutive models that is vastly used due to (i) lower number of free parameters compared to other nonlinear soil constitutive models, and (ii) because of the ease of calibrating these parameters using the commonly available soil data, i.e., G/G max and damping curves as a function of shear strain. This material model is available in commercial finite element software packages (LS-DYNA and Abaqus) as well in the open source finite element tool (Mastodon). The purpose of this study is to estimate the parameters required for this material model from the soil data available for the Lotung site and to demonstrate that this nonlinear soil constitutive model used in a time domain, finite element analysis can reasonably reproduce the actual measured soil motions recorded at Lotung during the LSST07 event on May 20, 1986. Results are introduced from all the three softwares mentioned above using the same material model.

42 ENGINEERING↗
DOE OSTI2023

R “SHINY” GUI DEVELOPMENT FOR URANIUM ISOTOPIC ANALYSIS WITH MATRIX-ASSISTED IONIZATION MASS SPECTROMETRY

The international nuclear safeguards community continues to seek rapid, accurate, and precise characterization capabilities for the in-field measurement of uranium isotopic compositions in nuclear facilities. Mass spectrometry (MS) is considered the “gold standard” for analysis of relatively long-lived actinides such as uranium (U) and plutonium; however, conventional MS analysis often requires time consuming sample preparation and complex analytical methodologies that are difficult to perform in-field or in-facility. Matrix assisted ionization (MAI) is a novel ambient ionization MS technique (i.e., MAI-MS) that potentially addresses these challenges due to the relative simplicity of the ionization phenomenon and ruggedness of ambient MS instrumentation. Savannah River National Laboratory (SRNL, USA) has demonstrated this technique for nanogram-level 235U/238U isotope ratio measurements within seconds, with percent-level analytical uncertainties capable of discriminating depleted, natural, and low-enriched uranium. Current experimental work on developing MAI methods for uranium isotopic analysis has been enabled by parallel development of a comprehensive MAI-MS data analysis suite at SRNL. Development of this bespoke data analysis software was necessary because commercially available ambient MS software is poorly suited for uranium isotope ratio measurement. The effort leverages the power of R, a popular open-source programming language, and Shiny, an R package providing tools for graphical user interface (GUI) and web interface coding. This software allows researchers without any programming experience to harness and utilize R’s considerable data analysis/visualization power.

LaBone, Elizabeth D.↗
DOE OSTI2023

Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks

The nuclear magnetic resonance (NMR) chemical shift tensor is a highly sensitive probe of the electronic structure of an atom and furthermore its local structure. Recently, machine learning has been applied to NMR in the prediction of isotropic chemical shifts from a structure. Current machine learning models, however, often ignore the full chemical shift tensor for the easier-to-predict isotropic chemical shift, effectively ignoring a multitude of structural information available in the NMR chemical shift tensor. Here we use an equivariant graph neural network (GNN) to predict full 29 Si chemical shift tensors in silicate materials. The equivariant GNN model predicts full tensors to a mean absolute error of 1.05 ppm and is able to accurately determine the magnitude, anisotropy, and tensor orientation in a diverse set of silicon oxide local structures. When compared with other models, the equivariant GNN model outperforms the state-of-the-art machine learning models by 53%. The equivariant GNN model also outperforms historic analytical models by 57% for isotropic chemical shift and 91% for anisotropy. The software is available as a simple-to-use open-source repository, allowing similar models to be created and trained with ease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Domain-specific compilers for dynamic simulations of quantum materials on quantum computers

Abstract Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computers can only produce high-fidelity results for those quantum circuits smaller than some given circuit size. Dynamic simulations, therefore, pose a challenge as current algorithms produce circuits that grow in size with each subsequent time-step of the simulation. This underscores the crucial role of quantum circuit compilers to produce executable quantum circuits of minimal size, thereby maximizing the range of physical phenomena that can be studied within the NISQ fidelity budget. Here, we present two domain-specific (DS) quantum circuit compilers for the Rigetti and IBM quantum computers, specifically designed to compile circuits simulating dynamics under a special class of time-dependent Hamiltonians. The compilers outperform state-of-the-art general-purpose compilers in terms of circuit size reduction by around 25%–30% as well as wall-clock compilation time by around 40% (dependent on system size and simulation time-step). Drawing on heuristic techniques commonly used in artificial intelligence, both compilers scale well with simulation time-step and system size. Code for both compilers is open-source and packaged into a full-stack quantum simulation software with tutorials included for ease of use for future researchers wishing to perform dynamic simulations of quantum materials on quantum computers. As our DS compilers provide significant improvements in both compilation time and simulation fidelity, they provide a building block for accelerating progress toward physical quantum supremacy.

Physics↗
DOE OSTI2019

A Novel Sparse Compositional Technique Reveals Microbial Perturbations

ABSTRACT The central aims of many host or environmental microbiome studies are to elucidate factors associated with microbial community compositions and to relate microbial features to outcomes. However, these aims are often complicated by difficulties stemming from high-dimensionality, non-normality, sparsity, and the compositional nature of microbiome data sets. A key tool in microbiome analysis is beta diversity, defined by the distances between microbial samples. Many different distance metrics have been proposed, all with varying discriminatory power on data with differing characteristics. Here, we propose a compositional beta diversity metric rooted in a centered log-ratio transformation and matrix completion called robust Aitchison PCA. We demonstrate the benefits of compositional transformations upstream of beta diversity calculations through simulations. Additionally, we demonstrate improved effect size, classification accuracy, and robustness to sequencing depth over the current methods on several decreased sample subsets of real microbiome data sets. Finally, we highlight the ability of this new beta diversity metric to retain the feature loadings linked to sample ordinations revealing salient intercommunity niche feature importance. IMPORTANCE By accounting for the sparse compositional nature of microbiome data sets, robust Aitchison PCA can yield high discriminatory power and salient feature ranking between microbial niches. The software to perform this analysis is available under an open-source license and can be obtained at https://github.com/biocore/DEICODE ; additionally, a QIIME 2 plugin is provided to perform this analysis at https://library.qiime2.org/plugins/q2-deicode .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The SODA Approach: Leveraging High-Level Synthesis for Hardware/Software Co-design and Hardware Specialization: Invited

Novel "converged" applications combine phases of scientific simulation with data analysis and machine learning. Each computational phase can benefit from specialized accelerators. However, algorithms evolve so quickly that mapping them on existing accelerators is suboptimal or even impossible. This paper presents the SODA (Software Defined Accelerators) framework, a modular, multi-level, open-source, no-human-in-the-loop, hardware synthesizer that enables end-to-end generation of specialized accelerators. SODA is composed of SODA-Opt, a high-level frontend developed in MLIR that interfaces with domain-specific programming frameworks and allows performing system level design, and Bambu, a state-of-the-art high-level synthesis engine that can target different device technologies. The framework implements design space exploration as compiler optimization passes. We show how the modular, yet tight, integration of the high-level optimizer and lower-level HLS tools enables the generation of accelerators optimized for the computational patterns of converged applications. We then discuss some of the research opportunities that such a framework allows, including system-level design, profile driven optimization, and supporting new optimization metrics.

Bohm Agostini, Nicolas↗
DOE OSTI2013

HSE12 implementation in libxc

This piece of software is a new feature implemented inside an existing open-source library. Specifically, it is a new implementation of a density functional (HSE, short for Heyd-Scuseria-Ernzerhof) for a repository of density functionals, the libxc library. It fixes some numerical problems with existing implementations, as outlined in a scientific paper recently submitted for publication. Density functionals are components of electronic structure simulations, which model properties of electrons inside molecules and crystals.

Moussa, JonathanE.↗
DOE OSTI2023

DEPDOSE

DEPDOSE is an open-source computer application which combines the KDEP respiratory tract deposition software with committed equivalent dose coefficient tables from the DC_PAK internal dosimetry package. DEPDOSE allows the user to rapidly produce tables of dose coefficients to workers and members of the public inhaling a precisely defined, user-specified aerosols using the ICRP 60 series methodology. Combined with a plume dispersion modeling system such as QUIC, this makes it possible to predict radiation doses downstream from an accidental or intentional release of radioactive materials. For this work, a radioactive plume was calculated to members of the public downstream from a plausible release of radionuclides into the atmosphere.

Klumpp, John↗