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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Assessing Energy Infrastructure Devices for Vulnerabilities

Industrial control systems prove to be vital to the health and security of the nation in our critical infrastructure. Critical infrastructure includes the most foundational systems to support modern civilization which includes water and wastewater systems, communications, and the electricity we use to name a few sectors. However, these devices' overall composition remains largely unknown and are untested from a cyber security perspective. As part of the Cyber Testing for Resilient Industrial Control Systems (CyTRICS) program, I analyzed one such energy infrastructure device to better understand how it functions, what hardware and software components are present within it, and assess it for security vulnerabilities. To achieve this, I reverse engineered binary files using Ghidra to understand system functionality and learned more about how to collaborate with other researchers on a shared Ghidra project. I learned more about how web sockets function and how to interact with them through Python to test if they are secure or not. This work led me to assess possible vulnerabilities in this device and provide a better understanding of its composition and function, which are essential to INL's mission of securing our nation's energy infrastructure.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

Analysis of the KROTOS KFC test by coupling X-Ray image analysis and MC3D calculations

During a hypothetical severe accident sequence in a Pressurized Water Reactor (PWR), the hot molten materials (corium) issuing from the degraded reactor core may generate a steam explosion if they come in contact with water and may damage the structures and threaten the reactor integrity. The SERENA program is an international OECD project that aims at helping the understanding of this phenomenon also called Fuel Coolant Interaction (FCI) by providing data. CEA takes part in this program by performing tests in its KROTOS facility where steam explosions using prototypic corium can be triggered. Data about the different phases in the premixing are extracted from the KROTOS X-Ray radioscopy images by using KIWI software (KROTOS Image analysis of Water-corium Interaction) currently developed by CEA. The MC3D code, developed by IRSN, is a thermal-hydraulic multiphase code mainly dedicated to FCI studies. It is composed of two applications: premixing and explosion. An overall FCI calculation with MC3D requires a premixing calculation followed by an explosion calculation. The present paper proposes an alternative approach in which all the features of the premixing are extracted from the X-Ray pictures using the KIWI software and transferred to an MC3D dataset for a direct simulation of the explosion. The main hypothesis are discussed as well as the first explosion results obtained with MC3D for the KROTOS KFC test. These results are rather encouraging and are analyzed on the basis of comparisons with the experimental data. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

MRI of pancreatic ductal adenocarcinoma: texture analysis of T2-weighted images for predicting long-term outcome

Purpose: To assess the association between T2-weighted imaging (T2WI) texture-analysis parameters and the pathological aggressiveness or long-term outcomes in pancreatic ductal adenocarcinoma (PDAC) patients. Methods: A total of 66 patients (mean age 65.3 ± 9.0 years) who underwent preoperative MRI followed by pancreatectomy for PDAC between 2013 and 2015 were included in this study. A radiologist performed a texture analysis twice on one axial image using commercial software. Differences in the tex parameters, according to pathological factors, were analyzed using a Student’s t test or an ANOVA with Tukey’s test. Univariate and multivariate Cox proportional hazards regression analyses were used to evaluate the association between tex parameters and recurrence-free survival (RFS) or overall survival (OS). Results: The mean follow-up time was 18.5 months, and there were 58 recurrences and 39 deaths. The mean of the positive pixel (MPP)-related factors was significantly lower in poorly differentiated tumors than in well-differentiated tumors as well as in cases with perineural invasion. The univariate Cox proportional hazards analysis showed a significant association between the tex parameters and RFS or OS. However, only tumor size was statistically significant after the multivariate analysis. Only tumor size and entropy with medium texture were significantly associated with OS after the multivariate analysis. Conclusions: Tumor size was a significant predictive factor for RFS and OS in PDAC patients. Although entropy with medium texture analysis was significantly associated with OS, there were also limitations in the texture analysis; thus, further study is necessary.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry

Fragment-based quantum chemistry methods offer a way to sidestep the steep nonlinear scaling of electronic structure calculations so that large molecular systems can be investigated using high-level methods. Here, we use fragmentation to compute protein–ligand interaction energies in systems with several thousand atoms, using a new software platform for managing fragment-based calculations that implements a screened many-body expansion. Convergence tests using a minimal-basis semiempirical method (HF-3c) indicate that two-body calculations, with single-residue fragments and simple hydrogen caps, are sufficient to reproduce interaction energies obtained using conventional supramolecular electronic structure calculations, to within 1 kcal/mol at about 1% of the computational cost. We also demonstrate that the HF-3c results are illustrative of trends obtained with density functional theory in basis sets up to augmented quadruple-ζ quality. Strategic deployment of fragmentation facilitates the use of converged biomolecular model systems alongside high-quality electronic structure methods and basis sets, bringing ab initio quantum chemistry to systems of hitherto unimaginable size. This will be useful for generation of high-quality training data for machine learning applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Machine Intelligence-Centered System for Automated Characterization of Functional Materials and Interfaces

Classic design of experiment relies on a time-intensive workflow that requires planning, data interpretation, and hypothesis building by experienced researchers. Here, in this paper, we describe an integrated, machine-intelligent experimental system which enables simultaneous dynamic tests of electrical, optical, gravimetric, and viscoelastic properties of materials under a programmable dynamic environment. Specially designed software controls the experiment and performs on-the-fly extensive data analysis and dynamic modeling, real-time iterative feedback for dynamic control of experimental conditions, and rapid visualization of experimental results. The system operates with minimal human intervention and enables time-efficient characterization of complex dynamic multifunctional environmental responses of materials with simultaneous data processing and analytics. The system provides a viable platform for artificial intelligence (AI)-centered material characterization, which, when coupled with an AI-controlled synthesis system, could lead to accelerated discovery of multifunctional materials.

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

Sparse thermal data for cellular automata modeling of grain structure in additive manufacturing

Grain growth in the wake of the melt pool formed during alloy-based additive manufacturing (AM) is complex and multifaceted, depending on parameters governing heat transport, fluid flow, and solidification itself. Cellular automata (CA) models have proven effective in providing computationally efficient and physically sound predictions of grain structure for several AM problems, but their efficiency is tied to the performance of heat transport models. CA models use only a small portion of the problem's temperature data (near the moving melt pool boundary), and much of the CA calculations do not affect the final result due to re-melting of material. Coupling of and communication between heat transport and solidification models, and eliminating operations irrelevant towards final grain structure prediction, will be necessary for using these methods for efficient simulation of large parts. In this work, we introduce a procedure of decoupling the CA from temperature field simulation, using files of relevant temperature data written by the heat transport model. This approach is validated against the standard coupling approach using data obtained through the computational fluid dynamics software OpenFOAM. Negligible differences are seen in grain size, volume, and texture distributions for multilayer simulation of test problems, while the quantity of temperature data for these test problems was reduced by four orders of magnitude (from 100s of GB to 10s of MB) and the code performance sped up by a factor of around 50. Furthermore, variability in microstructure as a function of cell size, substrate, time step, and nucleation parameters is studied, and it is found that cell sizes less than or equal to 1.67 μm and sufficiently small time steps yield Αstatistically equivalent microstructures. Finally, a potential use case for this CA approach—the layer-wise convergence in grain structure starting from extremes in initial grain size—is examined. This approach's ability to simulate expected trends in nucleation and epitaxial grain growth for large regions of microstructure, simulated independently of heat transport models themselves, should prove useful for investigation of various microstructure uncertainties and prediction of part-scale experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Face Recognition Oak Ridge (FaRO): A Framework for Distributed and Scalable Biometrics Applications

The facial biometrics community has seen a recent abundance of high-accuracy facial analytic models become freely available. Although these models' capabilities in facial detection, landmark detection, attribute analysis, and recognition are ever-increasing, they aren't always straightforward to deploy in a real-world environment. In reality, the use of the field's ever growing collection of models is becoming exceedingly difficult as library dependencies update and deprecate. Researchers often encounter headaches when attempting to utilize multiple models requiring different or conflicting software packages. Face Recognition Oak Ridge (FaRO) is an open-source project designed to provide a highly modular, flexible framework for unifying facial analytic models through a compartmentalized plug-and-play paradigm built on top of the gRPC (Google Remote Procedure Call) protocol. FaRO's server-client architecture and flexible portability allows easy construction of modularized and heterogeneous face analysis pipelines, distributed over many machines with differing hardware and software resources. This paper outlines FaRO's architecture and current capabilities, along with some experiments in model testing and distributed scaling through FaRO.

Bolme, David↗
DOE OSTI2024

Spread spectrum time domain reflectometry (SSTDR) and frequency domain reflectometry (FDR) cable inspection using machine learning

Cables are initially qualified for nuclear power plant use for 40 years. As plants extend their operating license to 60 and 80 years, justification for continued cable use must shift to a condition-based approach since it is cost prohibitive to completely replace cables that are likely still capable of performing their design function. The Pacific Northwest National Laboratory (PNNL) Accelerated and Real Time Experimental Nodal Analysis (ARENA) cable motor test bed was used to test the response of a commercial spread spectrum time domain reflectometry (SSTDR) system, a laboratory instrument software-controlled SSTDR, and a vector network analyzer-based frequency domain reflectometry (FDR) system to various cable anomalies. The three instrument systems were able to interrogate cables over a range of frequency bandwidths that can be helpful for human data analysis. Data were subjected to supervised and unsupervised machine learning (ML) analyses to distinguish normal undamaged cable responses from anomalous cable responses. Both supervised and unsupervised ML approaches produced encouraging results with an undamaged/anomalous prediction accuracy from 0.69% to 0.87%. Recommendations for further development and field implementation include increased and more balanced sample sets particularly including more training data.

SSTDR, FDR, Reflectometry, Machine Learning, ARENA↗
DOE OSTI2015

SU-D-BRD-02: Auto Weekly - An Automated Online Weekly Chart Check System for Medical Physics

Purpose: Radiation therapy has evolved to become not only more precise and potent, but also more complicated to monitor and deliver. More rigorous and comprehensive quality assurance is needed to safeguard ever advancing radiation therapy. ICRU standards dictate that an ever growing set of treatment parameters are manually checked weekly by medical physicists. This “weekly chart check” procedure is laborious and subject to human errors or other factors. A computer-assisted chart checking process will enable more complete and accurate human review of critical parameters, reduce the risk of medical errors, and improve the efficiency. Methods: We developed a web-based software system that enables a thorough weekly quality assurance checks. In the backend, the software retrieves all machine parameters from a Treatment Management System (TMS) and compares them against the corresponding ones from the treatment planning system. They are also checked for validity against preset rules. The results are displayed as a web page in the front-end for physicists to review. Then a summary report is generated and uploaded automatically to the TMS as a record for weekly chart checking. Results: The software system has been deployed on a web server in our department’s intranet, and has been tested thoroughly by our clinical physicists. A plan parameter would be highlighted when it is off the preset limit. The developed system has changed the way of checking charts with significantly improved accuracy, efficiency, and completeness. It has been shown to be robust, fast, and easy to use. Conclusion: A computer-assisted system has been developed for efficient, accurate, and comprehensive weekly chart checking. The system has been extensively validated and is being implemented for routine clinical use.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Integral and Separate Effects Tests for Thermal Hydraulics Code Validation for Liquid-Salt Cooled Nuclear Reactors

The objective of the 3-year project was to collect integral effects test (IET) data to validate the RELAP5-3D code and other thermal hydraulics codes for use in predicting the transient thermal hydraulics response of liquid salt cooled reactor systems, including integral transient response for forced and natural circulation operation. The reference system for the project is a modular, 900-MWth Pebble Bed Advanced High Temperature Reactor (PB-AHTR), a specific type of Fluoride salt-cooled High temperature Reactor (FHR). Two experimental facilities were developed for thermal-hydraulic integral effects tests (IETs) and separate effects tests (SETs). The facilities use simulant fluids for the liquid fluoride salts, with very little distortion to the heat transfer and fluid dynamics behavior. The CIET Test Bay facility was designed, built, and operated. IET data for steady state and transient natural circulation was collected. SET data for convective heat transfer in pebble beds and straight channel geometries was collected. The facility continues to be operational and will be used for future experiments, and for component development. The CIET 2 facility is larger in scope, and its construction and operation has a longer timeline than the duration of this grant. The design for the CIET 2 facility has drawn heavily on the experience and data collected on the CIET Test Bay, and it was completed in parallel with operation of the CIET Test Bay. CIET 2 will demonstrate start-up and shut-down transients and control logic, in addition to LOFC and LOHS transients, and buoyant shut down rod operation during transients. Design of the CIET 2 Facility is complete, and engineering drawings have been submitted to an external vendor for outsourced quality controlled construction. CIET 2 construction and operation continue under another NEUP grant. IET data from both CIET facilities is to be used for validation of system codes used for FHR modeling, such as RELAP5-3D. A set of numerical models were developed in parallel to the experimental work. RELAP5-3D models were developed for the salt-cooled PB-AHTR, and for the simulat fluid CIET natural circulation experimental loop. These models are to be validated by the data collected from CIET. COMSOL finite element models were used to predict the temperature and fluid flow distribution in the annular pebble bed core; they were instrumental for design of SETs, and they can be used for code-to-code comparisons with RELAP5-3D. A number of other small SETs, and numerical models were constructed, as needed, in support of this work. The experiments were designed, constructed and performed to meet CAES quality assurance requirements for test planning, implementation, and documentation; equipment calibration and documentation, procurement document control; training and personnel qualification; analysis/modeling software verification and validation; data acquisition/collection and analysis; and peer review.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Improving Memory Error Handling Using Linux

As supercomputers continue to get faster and more powerful in the future, they will also have more nodes. If nothing is done, then the amount of memory in supercomputer clusters will soon grow large enough that memory failures will be unmanageable to deal with by manually replacing memory DIMMs. "Improving Memory Error Handling Using Linux" is a process oriented method to solve this problem by using the Linux kernel to disable (offline) faulty memory pages containing bad addresses, preventing them from being used again by a process. The process of offlining memory pages simplifies error handling and results in reducing both hardware and manpower costs required to run Los Alamos National Laboratory (LANL) clusters. This process will be necessary for the future of supercomputing to allow the development of exascale computers. It will not be feasible without memory error handling to manually replace the number of DIMMs that will fail daily on a machine consisting of 32-128 petabytes of memory. Testing reveals the process of offlining memory pages works and is relatively simple to use. As more and more testing is conducted, the entire process will be automated within the high-performance computing (HPC) monitoring software, Zenoss, at LANL.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Annex C. Data Libraries for IAEA Nuclear Security Assessment Methodologies (NUSAM)

Data Libraries are a collection of experimental data for PP elements based on specific defeat mechanisms. The data can de related to probability of detection, assessment, or barrier delay times. The data libraries can be a manually tabulated list or an electronic menu values enbedded in a stand-alone database or in an assessment software program such as SAVI or EASI. Data library values are usually based on years of historical testing data for many forms of common and sometimes unique PPS systems. Most useful testing libraries include data from the most basic alarm sensors, doors, walls, and barriers to very sophisticated PP elements. Each PP element is tested using increasing levels of defeat techniques from hand tools, power tools, breaching tools, explosives, and vehicles, as applicable.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

High Performance Iterative Tomography Reconstructions on GPU and Intel Xeon Phi Coprocessor (Final CRADA Report)

The objective of this project is to (1) implement an open source high performance software toolkit of representative iterative tomographic reconstruction algorithms executing on both GPU and coprocessor, (2) perform benchmark testing for associated applications and make the architecture recommendation with consideration of budget plan and programming capability, and (3) engage research publications on designing and developing new acceleration algorithms on the aforementioned HPC architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Expanding the computational frontier of multi-scale atmospheric simulation to advance understanding of low cloud / climate feedbacks: Final Technical Report

Marine boundary layer clouds are a challenge for climate models. They cover much of the oceans, but they are driven by small-scale turbulent eddies only a few hundred meters across, which in turn respond to the cloud formation. Global climate models have a grid spacing that is far too large to simulate such fluid motions, so they parameterize these cloud formation processes. Different climate modeling groups have designed different parameterizations in which the clouds turn out to be differently sensitive to a warming climate. This drives uncertainties in our best guess at the sensitivity of global warming to greenhouse gas increases. If these cloud-forming eddies could be directly simulated using the well-known equations of fluid motion, they would no longer need to be parameterized, removing a major source of climate modeling uncertainty. In this project, we overcame software engineering challenges to successfully implemented ‘ultraparameterization’ (UP), the first global model that does this, and we tested how well it works. We simulated five-year periods with present-day temperatures and with a warmer climate, and we investigated how the UP-simulated clouds responded to climate – the ‘cloud feedback’ problem. We found little response of clouds at all latitudes to the imposed climate change, which is within the range of predictions of conventional global climate models. UP is a variation on superparameterization, in which small cloud-resolving models (CRMs) are embedded in each column of the global model. In UP, the CRM grid is fine enough (250 m horizontal × 20 m vertical) to explicitly capture boundary-layer turbulent eddies and associated clouds. Because only one small columnar patch is simulated within each climate model grid cell, this is a million-fold more efficient than simulating the entire globe on this same CRM grid., but achieves much of the same effect for the cloud properties. It doesn’t work perfectly. For instance, like conventional climate models, UP simulates too little subtropical stratocumulus cloud, a bias that we are continuing to work to reduce. However, because it directly simulates the turbulent cloud-forming processes, UP is inherently more plausible for simulating how clouds will change in a perturbed climate. In future, we hope to apply UP to another key climate modeling issue: cloud-aerosol interaction and the effect of human-produced aerosols on the climate change we have already experienced and that which is likely to come.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

AGGREGATE: dAta-driven modelinG preservinG contRollable dEr for outaGe mAnagemenT and rEsiliency (Report for Task 14: Model Verification/Validation Test Plan (Deliverable D10))

This report summarizes the technical progress and validation plan for each of AGGREGATE project modules, and integrated modules. The overall validation plan can be divided into two major parts. Firstly, it provides offline validation results of each module using the IEEE-123 node distribution system with certain modifications to support individual module results verification. The offline validation plan tentatively validated the usability and practicability of developed AGGREGATE tools. Secondly, the realworld test system - Seattle City Light (SCL) test feeder for verifying each module and the integrated modules using GE advanced distribution management system (ADMS) software.

42 ENGINEERING↗
DOE OSTI2023

Augmenting the Structural Dynamics Workflow to Reduce Development Times [Slides]

The structural dynamics workflow at LANL stands to be improved by implementing methods and techniques related to reduced-order finite-element modeling (FEM), pretest predictions, and FEM-test correlation and updating. The benefits of these industry-standard practices are demonstrated in this work. Software used for this project included Ansys 2023 R2 (Mechanical and Spaceclaim), Creo Parametric 8.0, MathCAD Prime 8.0, Matlab R2023b.

42 ENGINEERING↗
DOE OSTI2024

Integrated Simulation of PIP-II at Fermilab

We describe progress towards a community software ecosystem for efficient modeling of the Fermilab PIP-II complex for design validation and virtual test stands.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗