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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mapdfn.py

SAND2021-4824 O mapdfn.py takes the output of dfnWorks describing a discrete fracture network (DFN) and converts the DFN to an equivalent porous medium representation. This is done by looping through cells in a 3-D model domain, tagging those intersected by fractures, and calculating effective properties. Coordinate transformations are imported from an open source script (transformations.py) developed at the University of California. An associated driver script, mapdfn2pflotran.py, calls the functions in mapdfn.py and writes the mapdfn.py output to hdf5 files for use with PFLOTRAN. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-4824 O

Stein, Emily↗
DOE OSTI2015

Appalachian Basin Play Fairway Analysis: Thermal Quality Analysis in Low-Temperature Geothermal Play Fairway Analysis (GPFA-AB)

This collection of files are part of a larger dataset uploaded in support of Low Temperature Geothermal Play Fairway Analysis for the Appalachian Basin (GPFA-AB). Phase 1 of the GPFA-AB project identified potential Geothermal Play Fairways within the Appalachian basin of Pennsylvania, West Virginia and New York. This was accomplished through analysis of 4 key criteria: thermal quality, natural reservoir productivity, risk of seismicity, and heat utilization. Each of these analyses represent a distinct project task, with the fifth task encompassing combination of the 4 risks factors. Supporting data for all five tasks has been uploaded into the Geothermal Data Repository node of the National Geothermal Data System (NGDS). This submission comprises the data for Thermal Quality Analysis (project task 1) and includes all of the necessary shapefiles, rasters, datasets, code, and references to code repositories that were used to create the thermal resource and risk factor maps as part of the GPFA-AB project. The identified Geothermal Play Fairways are also provided with the larger dataset. Figures (.png) are provided as examples of the shapefiles and rasters. The regional standardized 1 square km grid used in the project is also provided as points (cell centers), polygons, and as a raster. Two ArcGIS toolboxes are available: 1) RegionalGridModels.tbx for creating resource and risk factor maps on the standardized grid, and 2) ThermalRiskFactorModels.tbx for use in making the thermal resource maps and cross sections. These toolboxes contain item description documentation for each model within the toolbox, and for the toolbox itself. This submission also contains three R scripts: 1) AddNewSeisFields.R to add seismic risk data to attribute tables of seismic risk, 2) StratifiedKrigingInterpolation.R for the interpolations used in the thermal resource analysis, and 3) LeaveOneOutCrossValidation.R for the cross validations used in the thermal interpolations. Some file descriptions make reference to various 'memos'. These are contained within the final report submitted October 16, 2015. Each zipped file in the submission contains an 'about' document describing the full Thermal Quality Analysis content available, along with key sources, authors, citation, use guidelines, and assumptions, with the specific file(s) contained within the .zip file highlighted. UPDATE: Newer version of the Thermal Quality Analysis has been added here: https://gdr.openei.org/submissions/879 (Also linked below) Newer version of the Combined Risk Factor Analysis has been added here: https://gdr.openei.org/submissions/880 (Also linked below)

15 GEOTHERMAL ENERGY↗
DOE OSTI2016

ALFA Discrete Element Method (DEM) Simulations using PFC3D

Contains input scripts, background information, reduced data, and results associated with the discrete element method (DEM) simulations of interface shear tests, plate anchor pullout tests, and torpedo anchor installation and pullout tests, using the software PFC3D (v4.0).

16 TIDAL AND WAVE POWER↗
NASA NTRS1996

Static and Completion Analysis for Planning Knowledge Base Development and Verification

A key obstacle hampering fielding of AI planning applications is the considerable expense of developing, verifying, updating, and maintaining the planning knowledge base (KB). Planning systems must be able to compare favorably in terms of software lifecycle costs to other means of automation such as scripts or rule-based expert systems.

anaylsis techniques↗
DOE OSTI2023

Calibration of the Solid‐State Nuclear Magnetic Resonance Search for Axion‐Like Dark Matter

Abstract Calibration of nuclear‐magnetic‐resonance‐based searches for axion‐like dark matter can be performed by free induction decay (FID) measurements. This manu‐ script describes FID experiments on several solid materials, motivated by the Cosmic Axion Spin Precession Experiment (CASPEr) program. Experiments with 207 Pb nuclear spins in ferroelectrics, lead magnesium niobate‐lead titanate (PbMg 1/3 Nb 2/3 O 3 ) (PbTiO 3 ) 1/3 (PMN‐PT) and lead zirconium titante PbZr 0.52 Ti 0.48 O 3 (PZT) are directly relevant to the CASPEr‐electric search for the electric dipole moment interaction of axion‐like dark matter. Experiments with 31 P nuclear spins in gadolinium‐doped hydroxypyromorphite Pb 4.95 Gd 0.05 (PO 4 ) 3 OH (HPM:Gd) are used for apparatus calibration. The measurements characterized the nuclear spin ensemble coherence time and the magnetic resonance detection sensitivity for these samples. Calibration is performed using small tip‐angle pulses.

Winter, Andrew J.↗
DOE OSTI2023

Implementation and verification of a user-defined element (UEL) for coupled thermal-hydraulic-mechanical-chemical (THMC) processes in saturated geological media

Efficient and accurate modeling of the coupled thermal-hydraulic-mechanical-chemical (THMC) processes in various rock formations is indispensable for designing energy geo-structures such as underground repositories for high-level nuclear wastes. Here, this work focuses on developing and verifying an implicit finite element solver for generic coupled THMC problems in geological settings. Starting from the mass, momentum, and energy balance laws, a specialized set of governing equations and a thermoporoelastic constitutive model is derived. This system is then solved by an implicit finite element (FE) scheme. Specifically, the residuals and the Jacobians are scripted in a user-defined element (UEL) subroutine which is then combined with the general-purpose FE software Abaqus Standard to solve initial-boundary value problems. Considering the complexity of the system, the UEL development follows a stepwise manner by first solving the coupled hydraulic-mechanical (HM) and thermal-hydraulic-mechanical (THM) equations before moving on to the full THMC problem. Each implementation step consists of at least one verification test by comparing computed results with closed-form analytical solutions to ensure that the various coupling effects are correctly realized. To demonstrate the robustness of the algorithm and to validate the UEL, a three-dimensional case study is performed with reference to the in-situ heating test of ATLAS at Belgium in 1980s. A hypothetical radionuclide leakage event is then simulated by activating the chemical-concentration degree of freedom and prescribing a constant high concentration at the heater's surface. The model predicts a limited contaminated regime after six years considering both diffusion and advection effects on species transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

High‐throughput profiling and analysis of plant responses over time to abiotic stress

Abstract Sorghum ( Sorghum bicolor (L.) Moench) is a rapidly growing, high‐biomass crop prized for abiotic stress tolerance. However, measuring genotype‐by‐environment (G x E) interactions remains a progress bottleneck. We subjected a panel of 30 genetically diverse sorghum genotypes to a spectrum of nitrogen deprivation and measured responses using high‐throughput phenotyping technology followed by ionomic profiling. Responses were quantified using shape (16 measurable outputs), color (hue and intensity), and ionome (18 elements). We measured the speed at which specific genotypes respond to environmental conditions, in terms of both biomass and color changes, and identified individual genotypes that perform most favorably. With this analysis, we present a novel approach to quantifying color‐based stress indicators over time. Additionally, ionomic profiling was conducted as an independent, low‐cost, and high‐throughput option for characterizing G x E, identifying the elements most affected by either genotype or treatment and suggesting signaling that occurs in response to the environment. This entire dataset and associated scripts are made available through an open‐access, user‐friendly, web‐based interface. In summary, this work provides analysis tools for visualizing and quantifying plant abiotic stress responses over time. These methods can be deployed as a time‐efficient method of dissecting the genetic mechanisms used by sorghum to respond to the environment to accelerate crop improvement.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

AEcroscopy: A Software–Hardware Framework Empowering Microscopy Toward Automated and Autonomous Experimentation

Microscopy has been pivotal in improving the understanding of structure-function relationships at the nanoscale and is by now ubiquitous in most characterization labs. However, traditional microscopy operations are still limited largely by a human-centric click-and-go paradigm utilizing vendor-provided software, which limits the scope, utility, efficiency, effectiveness, and at times reproducibility of microscopy experiments. Here, in this work, a coupled software–hardware platform is developed that consists of a software package termed AEcroscopy (short for Automated Experiments in Microscopy), along with a field-programmable-gate-array device with LabView-built customized acquisition scripts, which overcome these limitations and provide the necessary abstractions toward full automation of microscopy platforms. The platform works across multiple vendor devices on scanning probe microscopes and electron microscopes. It enables customized scan trajectories, processing functions that can be triggered locally or remotely on processing servers, user-defined excitation waveforms, standardization of data models, and completely seamless operation through simple Python commands to enable a plethora of microscopy experiments to be performed in a reproducible, automated manner. This platform can be readily coupled with existing machine-learning libraries and simulations, to provide automated decision-making and active theory-experiment optimization to turn microscopes from characterization tools to instruments capable of autonomous model refinement and physics discovery.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

The Data Mine model for accessible partnerships in data science

Abstract The Data Mine at Purdue University is a pioneering experiential learning community for undergraduate and graduate students of any background to learn data science. The first data‐intensive experience embedded in a large learning community, The Data Mine had nearly 1300 students in academic year (AY) 2022–2023 and nearly 1700 students for AY 2023–2024. The Data Mine embodies data‐infused education, research, and collaboration. Students learn Python, R, SQL, and shell‐scripting, while working on weekly projects within a high‐performance computing (HPC) cluster. In the Corporate Partners cohort, students work on teams of 5–15 students, led by a paid student team leader. Each cohort follows an Agile approach, working on data‐intensive projects provided by industry partners and mentored by company employees. Students develop professional and data skills throughout the academic year, from August through April. Many students return in subsequent years to the program, increasing their tenure with a Corporate Partner. Student teams are inherently interdisciplinary; students from 133 different majors are involved in the program, ranging from new incoming students through PhD level students. These interdisciplinary teams of students bring new perspectives to challenging problems in which data science is a key part of the solution. The interdisciplinary teams foster an environment of synthesis with ideas and solutions. Students come together with different life experiences, different levels of technical skill, but also varying ways they navigate paths to solutions because of the variety of majors represented, resulting in a more creative and robust solution than a traditional data science program. This article is categorized under: Applications of Computational Statistics > Education in Computational Statistics

Betz, Margaret A.↗
DOE OSTI2023

Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems

Designing and refactoring complex scientific code, such as the E3SM land model (ELM), for new computing architectures is challenging. This paper presents design strategies and technical approaches to develop a data-oriented, GPU-ready ELM model using compiler directives (OpenACC/OpenMP). We first analyze the datatypes and processes in the original ELM code. Then we present design considerations for ultrahigh-resolution ELM (uELM) development for massive GPU systems. These techniques include the global data-oriented simulation workflow, domain partition, code porting and data copy, memory reduction, parallel loop restructure and flattening, and race condition detection. We implemented the first version of uELM using OpenACC targeting the NVidia GPUs in the Summit supercomputer at Oak Ridge National Laboratory. During the implementation, we developed a software tool (named SPEL) to facilitate code generation, verification, and performance tuning using these techniques. The first uELM implementation for Nvidia GPUs on Summit delivered promising results: 1) over 98% of the ELM code was automatically generated and tuned by scripts. Most ELM modules had better computational performances than the original ELM code for CPUs. The GPU-ready uELM is more scalable than the CPU code on fully-loaded Summit nodes. Example profiling results from several modules are also presented to illustrate the performance improvements and race condition detection. The lessons learned and toolkit developed in the study are also suitable for further uELM deployment using OpenMP on the first US exascale computer, Frontier, equipped with AMD CPUs and GPUs.

Schwartz, Peter↗
DOE OSTI2018

Data Acquisition System of Nobeyama MKID Camera

We are developing a superconducting camera based on microwave kinetic inductance detectors (MKIDs) to observe 100-GHz continuum with the Nobeyama 45-m telescope. A data acquisition (DAQ) system for the camera has been designed to operate the MKIDs with the telescope. This system is required to connect the telescope control system (COSMOS) to the readout system of the MKIDs (MKID DAQ) which employs the frequency-sweeping probe scheme. The DAQ system is also required to record the reference signal of the beam switching for the demodulation by the analysis pipeline in order to suppress the sky fluctuation. The system has to be able to merge and save all data acquired both by the camera and by the telescope, including the cryostat temperature and pressure and the telescope pointing. A collection of software which implements these functions and works as a TCP/IP server on a workstation was developed. The server accepts commands and observation scripts from COSMOS and then issues commands to MKID DAQ to configure and start data acquisition. We made a commissioning of the MKID camera on the Nobeyama 45-m telescope and obtained successful scan signals of the atmosphere and of the Moon.

42 ENGINEERING↗
DOE OSTI2024

chatHPC: Empowering HPC users with large language models

The ever-growing number of pre-trained large language models (LLMs) across scientific domains presents a challenge for application developers. While these models offer vast potential, fine-tuning them with custom data, aligning them for specific tasks, and evaluating their performance remain crucial steps for effective utilization. However, applying these techniques to models with tens of billions of parameters can take days or even weeks on modern workstations, making the cumulative cost of model comparison and evaluation a significant barrier to LLM-based application development. To address this challenge, we introduce an end-to-end pipeline specifically designed for building conversational and programmable AI agents on high performance computing (HPC) platforms. Our comprehensive pipeline encompasses: model pre-training, fine-tuning, web and API service deployment, along with crucial evaluations for lexical coherence, semantic accuracy, hallucination detection, and privacy considerations. Here, we demonstrate our pipeline through the development of chatHPC, a chatbot for HPC question answering and script generation. Leveraging our scalable pipeline, we achieve end-to-end LLM alignment in under an hour on the Frontier supercomputer. We propose a novel self-improved, self-instruction method for instruction set generation, investigate scaling and fine-tuning strategies, and conduct a systematic evaluation of model performance. The established practices within chatHPC will serve as a valuable guidance for future LLM-based application development on HPC platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Determination of Material Constitutive Laws for Inconel 718 Superalloy Under Different Strain Rates and Working Temperatures

In this paper, a special procedure for the prediction of parameters of the Johnson–Cook constitutive material models is proposed based on the experimental data and specially developed MATLAB scripts which allow advanced modeling of complex 3D response surfaces. Experimental investigations concern two various strain rates of 10{sup −3} and 10{sup 1} 1/s and the testing temperature ranging from the ambient up to 700 °C. As a result, a set of mathematical equations which fit the experimental data is determined. The applicability of the experimentally derived constitutive models to the FEM modeling of real machining processes of Inconel 718 alloy is verified.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Thermal Treatment, Sliding Wear and Saline Corrosion of Al In Situ Reinforced with Mg{sub 2}Si and Ex Situ Reinforced with TiC Particles

The main objective of this work is to produce a composite consisting of (a) a cast heat-treatable Al-Mg-Si alloy with high contents of Mg for corrosion resistance and Si to offset the Mg-due poor castability (in situ hypoeutectic Mg{sub 2}Si/Al composite) and (b) TiC particles at high enough volume fractions (≤ 15%), in order to achieve a satisfactory combination of wear and corrosion performance. TiCp/Al-7Mg-5Si (wt.%) composites were produced by flux-assisted casting followed by solution and aging heat treatment. Solution treatment led to a relatively uniform dispersion and shape rounding of Mg{sub 2}Si precipitates and Si particles. TiC particle addition resulted in refinement of primary Al, modification of the Mg{sub 2}Si Chinese script morphology and refinement/spheroidization of primary Mg{sub 2}Si. Heat treatment combined with TiC addition notably improved the sliding wear resistance of Al-7Mg-5Si. A wear mechanism has been proposed. The TiC/Al interfaces remained intact of corrosion during potentiodynamic polarization of the heat-treated materials in 3.5 wt.% NaCl. Different main forms of localized corrosion in 3.5 wt.% NaCl were identified for each TiC content (0, 5, 15 vol.%), depending on specific degradation favoring microstructural features (topology/size/interface wetting) at each composition.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation of the Tribological Properties of AlxSi-1.2Fe(Mn) (x = 5-13 wt.%) Alloys

The effect of Fe-impurity and Mn modification on the sliding wear behavior of Al-xSi-1.2Fe(Mn) (x = 5-13 wt.%) alloys was investigated in dry sliding against AISI 52100 steel. According to the results, in the Si range of 5-9 wt.%, Fe-impurity promotes the formation of finely distributed β-Al{sub 5}FeSi intermetallics in the matrix increasing its hardness and potential to support the tribolayer leading to the improved wear characteristics. The presence of Fe in the composition of Al-(9-13)Si alloys, however, leads to the formation of primary β-platelets that their sizes and volume fractions increase with Si concentration. The formation of primary compounds increases the hardness, but makes the alloys less ductile and more vulnerable to microcracking and wear. Manganese modification converts the β-Fe platelets to the α-Al{sub 15}(Fe,Mn){sub 3}Si{sub 2} compounds with different morphologies. The substitution of fine β-platelets by α-Chinese scripts in Al-(5-9)Si-1.2FeMn alloys reduces the wear resistance, but the formation of primary α-compounds with star-like or polyhedral morphologies in Al-(9-13)Si-1.2FeMn alloys improves their wear characteristics. Moreover, it was found that the formation of Fe(Mn)-rich compounds affects the friction coefficient which is likely due to the fracture of particles in the subsurface region, their interaction with contacting surfaces, and their effect on the stability of the tribolayer.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Tempering and Rolling on Fatigue Crack Growth Behavior of Modified 9Cr-1Mo Steel

In the present work, fatigue crack growth (FCG) behavior of modified 9Cr-1Mo steel has been investigated near fatigue threshold and Paris regime at room temperature (RT) and 650 °C. The modified 9Cr-1Mo steel was subjected to normalizing at 1050 °C followed by tempering (650-750 °C) and warm rolling at 550 °C followed by tempering in order to improve its precipitation state and refine microstructure. The microstructural parameters such as grain size, block size, lath width and precipitate size were examined and correlated with FCG and tensile properties of investigated samples. The results showed that decreasing tempering temperature significantly reduces the fatigue threshold at RT while increases the yield strength at elevated temperature (i.e., 650 °C). Increase in fatigue threshold is found to increase with the increase in block size, whereas high density of fine precipitates contributed the high temperature strength. The FCG rate in Paris regime was less affected by heat treatment and rolling process at RT. However, rolled sample tested at 650 °C shows a decrease in FCG rate as compared to heat-treated samples. In terms of higher FCG resistance and yield strength, warm rolling followed by tempering at low temperature (i.e., 700 °C) can be considered optimum. For the numerical simulation of FCG behavior, extended finite element method (XFEM) along with Paris law has been implemented in ABAQUS using python script. The simulated FCG behavior is found in good agreement with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of Vanadium on Modification of Iron-Rich Intermetallics and Mechanical Properties in A356 Cast Alloys with 1.5 wt.% Fe

Formation of Fe-rich intermetallics and mechanical properties of vanadium-modified A356 cast alloys with 1.5 wt.% Fe were investigated using image analysis, scanning electron microscopy, differential scanning calorimetry, and a tensile test. The results showed that V content has no apparent influence on α-Al grain size in A356 alloys with high Fe content. Also, 0.8 wt.% V is beneficial for improving mechanical properties in A356 cast alloys with high Fe content. Specifically, these results can be attributed to the formation of Chinese script or block α-Fe phases, refined needle-like β-Fe (Al{sub 5}FeSi), and decreased porosities. An excessive amount of V deteriorates mechanical properties of alloys because it leads to VSi{sub 2} formation, large sized iron-rich intermetallics, and increased porosities.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructural and Mechanical Characterization of Directionally Solidified Conventional and Nb-Modified Mar-M247 Superalloy

This study analyzes the effects of replacing Ta by Nb (at.% basis) in the phase transformation temperatures, Scheil solidification behavior, and microstructural mechanical features of a Nb-modified as well as conventional Mar-M247 superalloys. Both alloys were directionally solidified at a withdrawal rate of 18 cm/h under a thermal gradient of about 80 °C/cm. DSC results were compared to thermodynamic simulations of phase transformation temperatures and showed a good correlation. The replacement of Ta by Nb has not altered the solidification path of Mar-M247, keeping the sequence L → L + γ → L + γ + MC → L + γ + MC + γ/γ′ eutectic. Due to the segregation of Hf and Zr to the very last liquid to solidify, a low melting point γ/Ni{sub 5}(Hf,Zr) constituent was observed. The as-solidified microstructures of both Mar-M247(Nb) and Mar-M247 were constituted of columnar dendrites of gamma matrix (γ) phase with cuboidal gamma-prime (γ′) precipitates. In addition, γ/γ′-eutectic was observed in the interdendritic region along with MC carbides in blocky, script (blocky dendritic), needle-like and fine nodular morphologies. Both alloys contained about 1.5 vol.% of MC carbides. The MC carbides in Mar-M247(Nb) and Mar-M247 are, respectively, Nb-rich and Ta-rich, with only a limited amount of Hf being detected in the MC phase. The yield stress of Nb-modified Mar-M247 showed higher values up to 750 °C. For higher temperatures, above 800 °C, a conventional Mar-M247 presented a higher value of yield stress.

36 MATERIALS SCIENCE↗