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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

SCORPIO: A scalable two-phase parallel I/O library with application to a large scale subsurface simulator

Inefficient parallel I/O is known to be a major bottleneck among scientific applications employed on supercomputers as the number of processor cores grows into the thousands. Our prior experience indicated that parallel I/O libraries such as HDF5 that rely on MPI-IO do not scale well beyond 10K processor cores, especially on parallel file systems (like Lustre) with single point of resource contention. Our previous optimization efforts for a massively parallel multi-phase and multi-component subsurface simulator (PFLOTRAN) led to a two-phase I/O approach at the application level where a set of designated processes participate in the I/O process by splitting the I/O operation into a communication phase and a disk I/O phase. The designated I/O processes are created by splitting the MPI global communicator into multiple sub-communicators. The root process in each sub-communicator is responsible for performing the I/O operations for the entire group and then distributing the data to rest of the group. This approach resulted in over 25X speedup in HDF I/O read performance and 3X speedup in write performance for PFLOTRAN at over 100K processor cores on the ORNL Jaguar supercomputer. This research describes the design and development of a general purpose parallel I/O library called Scorpio that incorporates our optimized two-phase I/O approach. The library provides a simplified higher level abstraction to the user, sitting atop existing parallel I/O libraries (such as HDF5) and implements optimized I/O access patterns that can scale on larger number of processors. Performance results with standard benchmark problems and PFLOTRAN indicate that our library is able to maintain the same speedups as before with the added flexibility of being applicable to a wider range of I/O intensive applications.

Sreepathi, Sarat↗
DOE OSTI2013

Sociolect-Based Community Detection

"Sociolects" are specialized vocabularies used by social subgroups defined by common interests or origins. We applied methods to retrieve large quantities of Twitter data based on expert-identified sociolects and then applied and developed network-analysis methods to relate sociolect use to network (sub-) structure. We show that novel methods including consideration of node populations, as well as edge counts, provide substantially enhanced performance compared to standard assortativity. We explain these methods, show their utility in analyzing large corpora of social media data, and discuss their further extensions and potential applications.

Community↗
DOE OSTI2025

Graph-Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical Power Networks

With the increasing complexity and data availability in modern power systems, learning-based approaches to AC Optimal Power Flow (AC OPF) have garnered significant attention. In particular, the structure of smart grids lends itself naturally to graph-based representations, where Graph Neural Networks (GNNs) can capture spatial and relational dependencies. This paper investigates attention-based GNN architectures tailored to heterogeneous graph representations of electric grids. We evaluate two major paradigms: relational attention, which distinguishes between edge types during message passing, and meta-path attention, which captures high-level semantics through multi-hop, typed paths. Using a large corpus of public AC OPF scenarios, we benchmark representative models of each type of attention. Our results demonstrate the benefits of heterogeneous attention-based models in accurately capturing grid dynamics; heterogeneous attention models achieve superior performance in both standard and perturbed settings. The findings highlight the importance of semantic-aware architectures for improving prediction robustness and interpretability in power system applications.

Trigui, Ali [Qubit Engineering Inc.]↗
DOE OSTI2017

An Augmented Lagrangian Filter Method for Real-Time Embedded Optimization

We present a filter line-search algorithm for nonconvex continuous optimization that combines an augmented Lagrangian function and a constraint violation metric to accept and reject steps. The approach is motivated by real-time optimization applications that need to be executed on embedded computing platforms with limited memory and processor speeds. The proposed method enables primal–dual regularization of the linear algebra system that in turn permits the use of solution strategies with lower computing overheads. We prove that the proposed algorithm is globally convergent and we demonstrate the developments using a nonconvex real-time optimization application for a building heating, ventilation, and air conditioning system. Our numerical tests are performed on a standard processor and on an embedded platform. Lastly, we demonstrate that the approach reduces solution times by a factor of over 1000.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Small-Signal Modeling and Design of Phase-Locked Loops Using Harmonic Signal-Flow Graphs

This report introduces signal-flow graphs for linear time-periodic systems to streamline and visually describe the frequency-domain modeling of complex phase-locked loop (PLL) systems used in grid-connected converters. Small-signal modeling using the proposed graphs is demonstrated for two commonly used single-phase PLL structures: SOGI-PLL and Park-PLL. Loop-gain models are developed for these PLLs to evaluate how an orthogonal signal generator (OSG), which is required in single-phase PLLs using the synchronous reference frame (SRF) architecture, modifies the PLL loop-gain compared to that of a three-phase SRF-PLL, which does not require an OSG. It is shown that the OSG in the SOGI-PLL and Park-PLL introduces significant phase-lag in the PLL loop-gain, limiting the maximum bandwidth for which either PLL can be designed. Slow frequency adaptation (SFA) of OSG is proposed as a solution to mitigate the influence of the OSG dynamics on the PLL loop-gain. Experimental results are presented to validate the developed loop-gain models and show that the proposed SFA-SOGI-PLL and SFA-Park-PLL have improved transient performance, they do not suffer from the bandwidth limit, and they also preserve the steady-state performance of the standard SOGI-PLL and Park-PLL.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Using benchmarks for radiation testing of microprocessors and FPGAs

Performance benchmarks have been used over the years to compare different systems. These benchmarks can be useful for researchers trying to determine how changes to the technology, architecture, or compiler affect the system's performance. No such standard exists for systems deployed into high radiation environments, making it difficult to assess whether changes in the fabrication process, circuitry, architecture, or software affect reliability or radiation sensitivity. In this paper, we propose a benchmark suite for high-reliability systems that is designed for field-programmable gate arrays and microprocessors. As a result, we describe the development process and report neutron test data for the hardware and software benchmarks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Design for Remanufacturing Framework Incorporating Identification, Evaluation, and Validation: A Case Study of Hydraulic Manifold

In recent years, academic researchers and engineers in the industry have widely recognized the necessity of integrating remanufacturing considerations into product design iterations to advance sustainability objectives. Acknowledging the importance of design for remanufacturing (DfRem), efforts were made to develop tools and guidelines that could be implemented in practice. However, such methods largely rely upon experiential insights and qualitative assessments, leaving a gap in the ability to quantitatively assess the economic and environmental impacts of design choices. To bridge this gap, we investigate existing efforts and present a framework for DfRem that integrates established design and remanufacturing practices into a cohesive workflow with quantitative assessments. To demonstrate its efficacy for making practical design changes for remanufacturing, we apply the framework to a hydraulic manifold in a transmission system for heavy-duty tractors. Through this industry-relevant case study, we focus on showcasing the practical utility of our framework. Based on the identified design modifications from remanufacturability analysis, we estimate the reductions in life cycle costs, energy consumption, and emissions. Afterward, the modifications are tested using physical experiments with plans for integration into future iterations of the hydraulic manifold design and production. Here, we anticipate this framework can illustrate the process of remanufacturing that ensures improvements in sustainability while maintaining performance and reliability standards.

design for X↗
DOE OSTI2014

Further developments of capillary absorption spectrometers using small hollow-waveguide fibers

Our objective is to enhance quantification of stable carbon and oxygen isotope ratios to better than 1‰ relative isotope precision for sample sizes < 1 pico-mole. A newer variant Capillary Absorption Spectrometer (CAS) is described using a proprietary linear-taper hollow waveguide in conjunction with wavelength and frequency modulation techniques of tunable laser absorption spectrometry. Previous work used circular capillaries with uniform 1 mm ID to measure 13C/12C ratios with ≥ 20 pico-mole samples to ≤ 10 ppm (1‰ precision against standards) [1]. While performing fairly well, it generated residual modal noise due to multipath propagation in the hollow-waveguides (HWGs). This system has been utilized with laser ablation-catalytic combustion techniques to analyze small resolution (~ 25 μm spot diameter) laser ablation events on solids. Using smaller ID capillary waveguides could improve detection limits and spatial resolutions. Reducing an IR compatible hollow waveguide’s inner diameter (ID) to < 300 μm, reduces modal noise significantly for mid-IR operation, but feedback noise with high gain semiconductor lasers can become problematic. A proprietary linear-taper small waveguide (mean ID = 0.35 mm, L = 1 m) was tested to understand whether modal noise and optical feedback effects could be simultaneously reduced. We see better mode filtering and, significant reductions of feedback noise under favorable coupling of a multi-spatial mode QC laser to the smaller ID of the linear-tapered HWG. We demonstrate that better modal coupling operation is consistent with Liouville’s theorem, where greater suppression of feedback from spurious scatter within the HWG occurs by injecting the laser into the smaller ID port. Our progress on developing lighter weight, potentially fieldable alternatives to Isotope Ratio Mass Spectrometers (IRMS) with a small volume (≤ 0.1 cm3) CAS system will be discussed and compared to other competitive systems.

Kelly, James F.↗
DOE OSTI2014

SU-E-J-117: Verification Method for the Detection Accuracy of Automatic Winston Lutz Test

Purpose: Winston Lutz test (WLT) has been a standard QA procedure performed prior to SRS treatment, to verify the mechanical iso-center setup accuracy upon different Gantry/Couch movements. Several detection algorithms exist,for analyzing the ball-radiation field alignment automatically. However, the accuracy of these algorithms have not been fully addressed. Here, we reveal the possible errors arise from each step in WLT, and verify the software detection accuracy with the Rectilinear Phantom Pointer (RLPP), a tool commonly used for aligning treatment plan coordinate with mechanical iso-center. Methods: WLT was performed with the radio-opaque ball mounted on a MIS and irradiated onto EDR2 films. The films were scanned and processed with an in-house Matlab program for automatic iso-center detection. Tests were also performed to identify the errors arise from setup, film development and scanning process. The radioopaque ball was then mounted onto the RLPP, and offset laterally and longitudinally in 7 known positions ( 0, ±0.2, ±0.5, ±0.8 mm) manually for irradiations. The gantry and couch was set to zero degree for all irradiation. The same scanned images were processed repeatedly to check the repeatability of the software. Results: Miminal discrepancies (mean=0.05mm) were detected with 2 films overlapped and irradiated but developed separately. This reveals the error arise from film processor and scanner alone. Maximum setup errors were found to be around 0.2mm, by analyzing data collected from 10 irradiations over 2 months. For the known shift introduced using the RLPP, the results agree with the manual offset, and fit linearly (R{sup 2}>0.99) when plotted relative to the first ball with zero shift. Conclusion: We systematically reveal the possible errors arise from each step in WLT, and introduce a simple method to verify the detection accuracy of our in-house software using a clinically available tool.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-360: End-To-End Dosimetric Testing of a Versa HD Linear Accelerator with the Agility Head Modeled in Pinnacle3

Purpose: The Versa HD incorporates a variety of upgrades, primarily including the Agility head. The distinct dosimetric properties of the head from its predecessors combined with flattening-filter-free (FFF) beams require a new investigation of modeling in planning systems and verification of modeling accuracy. Methods: A model was created in Pinnacle{sup 3} v9.8 with commissioned beam data. Leaf transmission was modeled as <0.5% with maximum leaf speed of 3 cm/s. Photon spectra were tuned for FFF beams, for which profiles were modeled with arbitrary profiles rather than with cones. For verification, a variety of plans with varied parameters were devised, and point dose measurements were compared to calculated values. A phantom of several plastic water and Styrofoam slabs was scanned and imported into Pinnacle{sup 3}. Beams of different field sizes, SSD, wedges, and gantry angles were created. All available photon energies (6 MV, 10 MV, 18 MV, 6 FFF, 10 FFF) as well four clinical electron energies (6, 9, 12, and 15 MeV) were investigated. The plans were verified at a calculation point (8 cm deep for photons, variable for electrons) by measurement with a PTW Semiflex ionization chamber. In addition, IMRT testing was performed with three standard plans (step and shoot IMRT, small and large field VMAT plans). The plans were delivered on the Delta4 IMRT QA phantom (ScandiDos, Uppsala, Sweden). Results: Homogeneous point dose measurement agreed within 2% for all photon and electron beams. Open field photon measurements along the central axis at 100 cm SSD passed within 1%. Gamma passing rates were >99.5% for all plans with a 3%/3mm tolerance criteria. The IMRT QA results for the first 23 patients yielded gamma passing rates of 97.4±2.3%. Conclusion: The end-to-end testing ensured confidence in the ability of Pinnacle{sup 3} to model photon and electron beams with the Agility head.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Short-time dynamics of Fe{sub 2}/V{sub 13} magnetic superlattice models

Critical relaxation from a low-temperature fully ordered state of Fe{sub 2}/V{sub 13} iron-vanadium magnetic superlattice models has been studied using the method of short-time dynamics. Systems with three variants of the ratio R of inter-to intralayer exchange coupling have been considered. Particles with N = 262144 spins have been simulated with periodic boundary conditions. Calculations have been performed using the standard Metropolis algorithm of the Monte Carlo method. The static critical exponents of magnetization and correlation radius, as well as the dynamic critical exponent, have been calculated for three R values. It is established that a small decrease in the exchange ratio (from R = 1.0 to 0.8) does not significantly influence the character of the short-time dynamics in the models studied. A further significant decrease in this ratio (to R = 0.01), for which a transition from three-dimensional to quasi-two-dimensional magnetism is possible, leads to significant changes in the dynamic behavior of iron-vanadium magnetic superlattice models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Study of the CP-violating effects with gg → Η → τ{sup +}τ{sup –} process

Study of the gg → Η → τ{sup +}τ{sup –} process was performed at Monte Carlo level within the framework of searching for CP-violating effects. The sensitivity of chosen observables to CP-parity of the Higgs boson was demonstrated for hadronic 1-prong τ decays (τ{sup ±} → π{sup ±}, ρ{sup ±}). Monte Carlo samples for the gg → Η → τ{sup +}τ{sup -} process were generated including the parton hadronisation to final state particles. This generation was performed for the Standard Model Higgs boson, the pseudoscalar Higgs boson, the Z → τ{sup +}τ{sup –} background, and mixed CP-states of the Higgs boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Full event interpretation with machine-learning-based particle-flow reconstruction in the CMS detector

The particle-flow (PF) algorithm constructs a global description of each particle collision by producing a comprehensive list of final-state particles, and is central to event reconstruction in the CMS experiment at the CERN LHC. The existing PF implementation relies on physics-motivated heuristics and assumptions that can be replaced by machine-learning (ML) models trained directly on simulated data and naturally suited to modern graphics processing units (GPUs). A state-of-the-art ML-based PF (MLPF) reconstruction algorithm, implemented within the CMS software framework, is presented. The MLPF algorithm performs a learnable full-event reconstruction on GPUs, generalizes across detector conditions and collision energies, and replaces multiple modular reconstruction steps with a single unified model. Physics performance comparable to standard PF reconstruction is achieved in both simulation and data, with improved jet energy resolution and inference time. In simulated top quark-antiquark events under LHC Run-3 (2023-2024) conditions, the jet energy resolution improves by 10-20% for jets with transverse momentum between 30-100 GeV. Inference time is evaluated using simulated multijet events, with a median of $20\,\hbox {ms}$ per event on an Nvidia L4 GPU, compared to approximately $110\,\hbox {ms}$ for the standard CMS PF reconstruction.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2020

Degradation of Commercial Lithium-Ion Cells as a Function of Chemistry and Cycling Conditions

Energy storage systems with Li-ion batteries are increasingly deployed to maintain a robust and resilient grid and facilitate the integration of renewable energy resources. However, appropriate selection of cells for different applications is difficult due to limited public data comparing the most commonly used off-the-shelf Li-ion chemistries under the same operating conditions. This article details a multi-year cycling study of commercial LiFePO 4 (LFP), LiNi x Co y Al 1–x–y O 2 (NCA), and LiNi x Mn y Co 1–x–y O 2 (NMC) cells, varying the discharge rate, depth of discharge (DOD), and environment temperature. The capacity and discharge energy retention, as well as the round-trip efficiency, were compared. Even when operated within manufacturer specifications, the range of cycling conditions had a profound effect on cell degradation, with time to reach 80% capacity varying by thousands of hours and cycle counts among cells of each chemistry. The degradation of cells in this study was compared to that of similar cells in previous studies to identify universal trends and to provide a standard deviation for performance. All cycling files have been made publicly available at batteryarchive.org, a recently developed repository for visualization and comparison of battery data, to facilitate future experimental and modeling efforts.

25 ENERGY STORAGE↗
DOE OSTI2022

Graph link prediction in computer networks using Poisson matrix factorisation

Graph link prediction is an important task in cybersecurity: relationships between entities within a computer network, such as users interacting with computers or system libraries and the corresponding processes that use them, can provide key insights into adversary behaviour. Poisson matrix factorisation (PMF) is a popular model for link prediction in large networks, particularly useful for its scalability. In this article PMF is extended to include scenarios that are commonly encountered in cybersecurity applications. Specifically, an extension is proposed to explicitly handle binary adjacency matrices and include known categorical covariates associated with the graph nodes. A seasonal PMF model is also presented to handle seasonal networks. To allow the methods to scale to large graphs, variational methods are discussed for performing fast inference. The results show an improved performance over the standard PMF model and other statistical network models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Enhanced material identification via momentum-integrated muon scattering tomography

Cosmic ray muons, originating from interactions in the upper atmosphere, possess high energy and unique penetrative capabilities suitable for non-traditional radiographic inspection. This study explores their application in various fields such as nuclear fuel cask monitoring, nuclear reactor imaging, and archaeology, leveraging the principle of multiple Coulomb scattering for imaging dense materials. While muon scattering tomography has shown promise, accurately measuring muon momentum remains challenging. This research introduces the Momentum Integrated Point-of-Closest Approach (mPoCA) algorithm, integrating muon momentum data into the traditional Point-of-Closest Approach (PoCA) framework. Utilizing the Cherenkov muon spectrometer, renowned for precise muon momentum estimation, the mPoCA algorithm offers a novel imaging approach. Simulations conducted with GEANT4 evaluate the mPoCA algorithm’s performance against the standard PoCA method, demonstrating superior image resolution and enhanced material identification capabilities, particularly in distinguishing materials like uranium and lead. These findings underscore the potential of the mPoCA algorithm for advancing muon scattering tomography applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of fast-running eighth core nodal solution

A fast-running, eighth-core solution technique has been developed for the quick core calculations in ANC, the Westinghouse core analysis code based on the nodal expansion method, and the BEACON{sup TM} Core Monitoring System (BEACON). This technique, referred to as 'Fast Eighth' (Fast8), enables users to obtain satisfactory macroscopic core calculation results such as reactivity, axial offset and assembly power much more quickly than calculations performed in the standard full-core or quarter-core geometry. Fast8 uses three techniques: folding the radial geometry into eighth-core geometry, reducing the axial geometry into a coarse axial mesh geometry, and smearing the spacer grids into nodes on-the-fly after the first calculation in the standard geometry. These geometry adjustments in Fast8 contribute to the reduction of the number of neutronic and material nodes while maintaining the reaction rates in each node. The axial mesh condition dependency in Fast8 is investigated in a xenon transient calculation in single assembly geometry, and the Fast8 maximum axial mesh size is determined based on these results. Fast8 is then applied to the load swing calculation, and the results are compared with the reference, full-core geometry, solution. The critical boron concentration and axial offset of Fast8 show good agreement with the reference solutions, and that Fast8 is a good technique for obtaining macroscopic core calculation results in significantly shorter time. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Fiats: Functional inference and training for surrogates

Fiats provides a platform for research on the training and deployment of neural-network surrogate models for computational science. Fiats also supports exploring, advancing, and combining functional, object-oriented, and parallel programming patterns in Fortran 2023. As such, the Fiats name has dual expansions: “Functional Inference And Training for Surrogates” or “Fortran Inference And Training for Science.” Fiats inference and training procedures are pure and therefore satisfy a language constraint imposed on procedure invocations inside Fortran’s parallel loop construct: do concurrent. Furthermore, the Fiats training procedures are built around a do concurrent parallel reduction. Several compilers can automatically parallelize do concurrent on Central Processing Units (CPUs) or Graphics Processing Units (GPUs). Fiats thus aims to achieve performance portability through standard language mechanisms.

Rouson, Damian [Lawrence Berkeley National Laborat↗