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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Barrier elision for production parallel programs

Large scientific code bases are often composed of several layers of runtime libraries, implemented in multiple programming languages. In such situation, programmers often choose conservative synchronization patterns leading to suboptimal performance. In this paper, we present context-sensitive dynamic optimizations that elide barriers redundant during the program execution. In our technique, we perform data race detection alongside the program to identify redundant barriers in their calling contexts; after an initial learning, we start eliding all future instances of barriers occurring in the same calling context. We present an automatic on-the-fly optimization and a multi-pass guided optimization. We apply our techniques to NWChem - a 6 million line computational chemistry code written in C/C++/Fortran that uses several runtime libraries such as Global Arrays, ComEx, DMAPP, and MPI. Our technique elides a surprisingly high fraction of barriers (as many as 63%) in production runs. This redundancy elimination translates to application speedups as high as 14% on 2048 cores. Our techniques also provided valuable insight about the application behavior, later used by NWChem developers. Overall, we demonstrate the value of holistic context-sensitive analyses that consider the domain science in conjunction with the associated runtime software stack.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗
DOE OSTI2013

Information and Perception of Meaningful Patterns

The visual system needs to extract the most important elements of the external world from a large flux of information in a short time for survival purposes. It is widely believed that in performing this task, it operates a strong data reduction at an early stage, by creating a compact summary of relevant information that can be handled by further levels of processing. In this work we formulate a model of early vision based on a pattern-filtering architecture, partly inspired by high-speed digital data reduction in experimental high-energy physics (HEP). This allows a much stronger data reduction than models based just on redundancy reduction. We show that optimizing this model for best information preservation under tight constraints on computational resources yields surprisingly specific a-priori predictions for the shape of biologically plausible features, and for experimental observations on fast extraction of salient visual features by human observers. Interestingly, applying the same optimized model to HEP data acquisition systems based on pattern-filtering architectures leads to specific a-priori predictions for the relevant data patterns that these devices extract from their inputs. These results suggest that the limitedness of computing resources can play an important role in shaping the nature of perception, by determining what is perceived as ‘‘meaningful features’’ in the input data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

M-Adapting Low Order Mimetic Finite Differences for Dielectric Interface Problems

We consider a problem of reducing numerical dispersion for electromagnetic wave in the domain with two materials separated by a at interface in 2D with a factor of two di erence in wave speed. The computational mesh in the homogeneous parts of the domain away from the interface consists of square elements. Here the method construction is based on m-adaptation construction in homogeneous domain that leads to fourth-order numerical dispersion (vs. second order in non-optimized method). The size of the elements in two domains also di ers by a factor of two, so as to preserve the same value of Courant number in each. Near the interface where two meshes merge the mesh with larger elements consists of degenerate pentagons. We demonstrate that prior to m-adaptation the accuracy of the method falls from second to rst due to breaking of symmetry in the mesh. Next we develop m-adaptation framework for the interface region and devise an optimization criteria. We prove that for the interface problem m-adaptation cannot produce increase in method accuracy. This is in contrast to homogeneous medium where m-adaptation can increase accuracy by two orders.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ACHILLES-GENIE Interface for Neutrino Simulations, ADRIANO2 Tile Prototype for High-Granularity Dual-Readout Calorimetry

ICARUS (Imaging Cosmic And Rare Underground Signals) is a liquid argon time projection chamber (LArTPC) detector that pursues the sterile neutrino, which relies on accurate simulations of neutrino-argon interactions. REDTOP (Rare Eta Decays To Observe new Physics) is a proposed low-energy, high-intensity meson factory designed to explore rare $\eta$/$\eta'$ meson decays and probe physics beyond the Standard Model. As a next-generation experiment, this requires both accurate simulations and innovative detector technologies. This project contributes to both ICARUS, from a simulation perspective, and REDTOP, from both a simulation and detection perspective, through the event generation of lepton-nucleon interactions and the physical enhancement of the calorimeter technology within the REDTOP detector. We developed an interface between ACHILLES (A CHIcago Land Lepton Event Simulator), a theory-driven lepton-level event generator, and GENIE, a robust event generator framework used for neutrino physics. By incorporating the precise theoretical cross-section calculations of ACHILLES into the experimental realism of GENIE, the interface allows for improved accuracy of neutrino-nucleon simulations, which can be adapted for the proton beam specifications of the REDTOP meson factory as well as for the ICARUS experiment. In parallel, we developed an improved prototype for the ADRIANO2 (A Dual Readout Integrally Active Non-segmented Option) dual-readout calorimeter tiles for the REDTOP detector. To improve the efficiency of the lead-glass tiles trapping Cherenkov light for energy reconstruction and particle identification, we optimized the application of a highly reflective coating. Through viscosity and thickness control, masking, and a custom spray technique, we refined the coating process to reduce surface defects and improve light yield. Together, these efforts strengthen the ICARUS neutrino program and REDTOP's capability of detecting rare decay events.

Visser, Erin [Michigan State U.]↗
DOE OSTI2015

Medium Duty ARRA Data Reporting and Analysis; NREL (National Renewable Energy Laboratory)

Medium-duty (MD) electric vehicle (EV) data collection and analysis will help drive design, purchase, and research investments. Over 4 million miles and 160,000 driving days of EV driving data were collected under this project. Publicly available data help drive technology research, development, and deployment. Feeding the vocational database for future analysis will lead to a better understanding of usage and will result in better design optimization and technology implementation. The performance of a vehicle varies with drive cycle and cargo load - MD vehicles are 'multi-functional.' Environment and accessory loads affect vehicle range and in turn add cost by adding battery capacity. MD EV vehicles can function in vocations traditionally serviced by gasoline or diesel vehicles. Facility implications (i.e., demand charges) need to be understood as part of site-based analysis for EV implementation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Method to synthesize metal halide perovskite particles with high luminescence and stability

The invention provides a convenient solution-based synthesis for metal halide perovskite particles. This method requires only mild conditions and can be easily scaled up. A ligand of a proper molecule size and an optimized precursor ratio are important to obtain pure phase particles. As an example, lead bromide perovskite particles exhibited a narrow monochromatic band gap, which can be tuned by partial halide substitution, and PLQY up to 75% making this material an excellent candidate for light emission and display applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhancing ICARUS and REDTOP Software and Hardware: Event Generator Interface Development and Calorimeter Tile Prototype

ICARUS (Imaging Cosmic And Rare Underground Signals) is a liquid argon time projection chamber (LArTPC) detector that pursues the sterile neutrino, which relies on accurate simulations of neutrino-argon interactions. REDTOP (Rare Eta Decays To Observe new Physics) is a proposed low-energy, high-intensity meson factory designed to explore rare $\eta$/$\eta'$ meson decays and probe physics beyond the Standard Model. As a next-generation experiment, this requires both accurate simulations and innovative detector technologies. This project contributes to both ICARUS, from a simulation perspective, and REDTOP, from both a simulation and detection perspective, through the event generation of lepton-nucleon interactions and the physical enhancement of the calorimeter technology within the REDTOP detector. We developed an interface between ACHILLES (A CHIcago Land Lepton Event Simulator), a theory-driven lepton-level event generator, and GENIE, a robust event generator framework used for neutrino physics. By incorporating the precise theoretical cross-section calculations of ACHILLES into the experimental realism of GENIE, the interface allows for improved accuracy of neutrino-nucleon simulations, which can be adapted for the proton beam specifications of the REDTOP meson factory as well as for the ICARUS experiment. In parallel, we developed an improved prototype for the ADRIANO2 (A Dual Readout Integrally Active Non-segmented Option) dual-readout calorimeter tiles for the REDTOP detector. To improve the efficiency of the lead-glass tiles trapping Cherenkov light for energy reconstruction and particle identification, we optimized the application of a highly reflective coating. Through viscosity and thickness control, masking, and a custom spray technique, we refined the coating process to reduce surface defects and improve light yield. Together, these efforts strengthen the ICARUS neutrino program and REDTOP's capability of detecting rare decay events.

Visser, Erin [Michigan State U.] (ORCID:0009000184↗
DOE OSTI2018

Selecting a near-optimal design for multiple criteria with improved robustness to different user priorities

In a decision-making process, relying on only one objective can often lead to oversimplified decisions that ignore important considerations. Incorporating multiple, and likely competing, objectives is critical for balancing trade-offs on different aspects of performance. When multiple objectives are considered, it is often hard to make a precise decision on how to weight the different objectives when combining their performance for ranking and selecting designs. We show that there are situations when selecting a design with near-optimality for a broad range of weight combinations of the criteria is a better test selection strategy compared with choosing a design that is strictly optimal under very restricted conditions. Here, we propose a new design selection strategy that identifies several top-ranked solutions across broad weight combinations using layered Pareto fronts and then selects the final design that offers the best robustness to different user priorities. This method involves identifying multiple leading solutions based on the primary objectives and comparing the alternatives using secondary objectives to make the final decision. We focus on the selection of screening designs because they are widely used both in industrial research, development, and operational testing. The method is illustrated with an example of selecting a single design from a catalog of designs of a fixed size. However, the method can be adapted to more general designed experiment selection problems that involve searching through a large design space.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

TH-EF-BRB-02: Feasibility of Optimization for Dynamic Trajectory Radiotherapy

Purpose: Over the last years, volumetric modulated arc therapy (VMAT) has been widely introduced into clinical routine using a coplanar delivery technique. However, VMAT might be improved by including dynamic couch and collimator rotations, leading to dynamic trajectory radiotherapy (DTRT). In this work the feasibility and the potential benefit of DTRT was investigated. Methods: A general framework for the optimization was developed using the Eclipse Scripting Research Application Programming Interface (ESRAPI). Based on contoured target and organs at risk (OARs), the structures are extracted using the ESRAPI. Sampling potential beam directions, regularly distributed on a sphere using a Fibanocci-lattice, the fractional volume-overlap of each OAR and the target is determined and used to establish dynamic gantry-couch movements. Then, for each gantry-couch track the most suitable collimator angle is determined for each control point by optimizing the area between the MLC leaves and the target contour. The resulting dynamic trajectories are used as input to perform the optimization using a research version of the VMAT optimization algorithm and the ESRAPI. The feasibility of this procedure was tested for a clinically motivated head and neck case. Resulting dose distributions for the VMAT plan and for the dynamic trajectory treatment plan were compared based on DVH-parameters. Results: While the DVH for the target is virtually preserved, improvements in maximum dose for the DTRT plan were achieved for all OARs except for the inner-ear, where maximum dose remains the same. The major improvements in maximum dose were 6.5% of the prescribed dose (66 Gy) for the parotid and 5.5% for the myelon and the eye. Conclusion: The result of this work suggests that DTRT has a great potential to reduce dose to OARs with similar target coverage when compared to conventional VMAT treatment plans. This work was supported by Varian Medical Systems. This work was supported by Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Heating Ventilation Air-Conditioning (HVAC) System Analysis and Optimization for Revit with the OpenStudio Analytical Framework (CRADA Final Report)

This project proposes to integrate the NREL-developed OpenStudio (OS) and its accompanying Analytical Framework (OSAF) into Autodesk’s (ADSK’s) market leading suite of building information modeling (BIM) tools. As a result, BIM users will gain access to advanced (but user-friendly) building energy modeling (BEM), calibration, and design optimization capabilities. Following integration, the BIM software will automatically generate a consistent OS-based BEM model, allowing users to develop projects in an integrated manner, moving back and forth between architectural and engineering perspectives without redundancy or data loss, saving time and effort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

SU-E-J-10: A Moving-Blocker-Based Strategy for Simultaneous Megavoltage and Kilovoltage Scatter Correction in Cone-Beam Computed Tomography Image Acquired During Volumetric Modulated Arc Therapy

Purpose: To evaluate a moving-blocker-based approach in estimating and correcting megavoltage (MV) and kilovoltage (kV) scatter contamination in kV cone-beam computed tomography (CBCT) acquired during volumetric modulated arc therapy (VMAT). Methods: XML code was generated to enable concurrent CBCT acquisition and VMAT delivery in Varian TrueBeam developer mode. A physical attenuator (i.e., “blocker”) consisting of equal spaced lead strips (3.2mm strip width and 3.2mm gap in between) was mounted between the x-ray source and patient at a source to blocker distance of 232mm. The blocker was simulated to be moving back and forth along the gantry rotation axis during the CBCT acquisition. Both MV and kV scatter signal were estimated simultaneously from the blocked regions of the imaging panel, and interpolated into the un-blocked regions. Scatter corrected CBCT was then reconstructed from un-blocked projections after scatter subtraction using an iterative image reconstruction algorithm based on constraint optimization. Experimental studies were performed on a Catphan 600 phantom and an anthropomorphic pelvis phantom to demonstrate the feasibility of using moving blocker for MV-kV scatter correction. Results: MV scatter greatly degrades the CBCT image quality by increasing the CT number inaccuracy and decreasing the image contrast, in addition to the shading artifacts caused by kV scatter. The artifacts were substantially reduced in the moving blocker corrected CBCT images in both Catphan and pelvis phantoms. Quantitatively, CT number error in selected regions of interest reduced from 377 in the kV-MV contaminated CBCT image to 38 for the Catphan phantom. Conclusions: The moving-blockerbased strategy can successfully correct MV and kV scatter simultaneously in CBCT projection data acquired with concurrent VMAT delivery. This work was supported in part by a grant from the Cancer Prevention and Research Institute of Texas (RP130109) and a grant from the American Cancer Society (RSG-13-326-01-CCE)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Tailoring resonant magnetic perturbation to optimize fast-ion confinement during ELM control in KSTAR

Abstract 3D resonant magnetic perturbation (RMP) is one promising way to control edge localized modes that can cause excessive material erosion of tokamak first walls. However, RMP can lead to undesired degradation of plasma confinement, including fast-particle losses, which can impact the performance and safety of the reactor. This work investigates the optimization of the poloidal spectrum of the 3D field to optimize fast ion confinement during edge localized mode (ELM) suppression. In the initial step, the validity of the modeling framework is tested against experimental data. Simulations successfully replicate an increase in poloidal limiter temperature with different poloidal spectra. Then, the simulation shows improvement of fast ion confinement with a reduction of core resonant response, while edge resonant magnetic fields are maintained above the threshold to sustain the ELM suppression. Reduction of the core resonant fields keeps the Kolmogorov–Arnold–Moser surface and reduces the fast particle losses due to the stochastic magnetic field lines. The results highlight the potential of edge localization of the resonant fields to enhance the performance of fusion reactors, but further investigation is needed to improve the validation of this approach.

3D field↗
DOE OSTI2022

Layer Time Control for Large Scale Additive Manufacturing Using High Performance Computing

This work proposes to optimize an additive manufacturing AM process to reduce energy and printing cost. The polymer AM process is inherently dependent on the time-temperature history of each layer to maintain geometric tolerances and mechanical integrity. Our preliminary study shows that regression-based layer time control model using thermal images could result in up to 30% build time reduction for simple geometries. This proposed work would use high-performance computing (HPC) to couple the data-driven model with thermal simulation for better predicting layer temperature profiles, improving throughput of large-scale additive manufacturing, and reducing its energy cost. We have developed a method to optimize a layer deposition time (a.k.a. layer time) for large-scale AM via physics-based simulations. A long layer time leads to an over-cooled surface on which a new layer is deposited, and therefore, it may result in a weak bonding or debonding between layers, cracking, or warping. A short layer time leads to a high temperature of the structure due to insufficient cooling, and therefore, the structure may not be stiff enough and may collapse during manufacturing. Therefore, it is important to estimate the optimal layer time in additive manufacturing for a high-quality product. The temperature of a top layer right before deposition is recommended to be slightly higher than the glass temperature of the material. A temperature cooling was approximated to an exponential function of time, and the optimized layer time was obtained based on a target temperature while maintaining a minimal printing time. The material used is carbon fiber-reinforced polycarbonate (CF/PC), and the large-scale deposition system used is LSAM TM from Thermwood Corporation. Three different layer time cases were used for experiments, and a series of thermal images were obtained via an infra-red (IR) camera during the entire AM processes. AM process simulations were performed using a finite element method and the temperature profiles from the simulation were in good agreements with those from experiments. The layer time optimization was performed based on the temperature profiles from the simulations. A layer temperature with the optimal layer time was confirmed as the target temperature through simulation. In addition to the development of a layer time optimization method, we have developed a numerical framework for AM simulation with element activations in sync with toolpath, based on an open source finite element framework, DEAL.II. A major portion of this work was presented at SAMPE 2022 Conference and Exhibition on May 2022, and published in Proceedings of SAMPE 2022.

42 ENGINEERING↗
DOE OSTI2014

ACDT: Architected Composite Data Types Trading-in Unfettered Data Access for Improved Execution

With Exascale performance and its challenges in mind, one ubiquitous concern among architects is energy efficiency. Petascale systems projected to Exascale systems are unsustainable at current power consumption rates. One major contributor to system-wide power consumption is the number of memory operations leading to data movement and management techniques applied by the runtime system. To address this problem, we present the concept of the Architected Composite Data Types (ACDT) framework. The framework is made aware of data composites, assigning them a specific layout, transformations and operators. Data manipulation overhead is amortized over a larger number of elements and program performance and power efficiency can be significantly improved. We developed the fundamentals of an ACDT framework on a massively multithreaded adaptive runtime system geared towards Exascale clusters. Showcasing the capability of ACDT, we exercised the framework with two representative processing kernels - Matrix Vector Multiply and the Cholesky Decomposition – applied to sparse matrices. As transformation modules, we applied optimized compress/decompress engines and configured invariant operators for maximum energy/performance efficiency. Additionally, we explored two different approaches based on transformation opaqueness in relation to the application. Under the first approach, the application is agnostic to compression and decompression activity. Such approach entails minimal changes to the original application code, but leaves out potential applicationspecific optimizations. The second approach exposes the decompression process to the application, hereby exposing optimization opportunities that can only be exploited with application knowledge. The experimental results show that the two approaches have their strengths in HW and SW respectively, where the SW approach can yield performance and power improvements that are an order of magnitude better than ACDT-oblivious, hand-optimized implementations.We consider the ACDT runtime framework an important component of compute nodes that will lead towards power efficient Exascale clusters.

exascale↗
DOE OSTI2012

Study of Morphological Changes in MgH2 Destabilized LiBH4 Systems Using Computed X-ray Microtomography

The objective of this study was to apply three-dimensional x-ray microtomographic imaging to understanding morphologies in the diphasic destabilized hydride system: MgH2 and LiBH4. Each of the single phase hydrides as well as two-phase mixtures at LiBH4:MgH2 ratios of 1:3, 1:1, and 2:1 were prepared by high energy ball milling for 5 minutes (with and without 4 mol % TiCl3 catalyst additions). Samples were imaged using computed microtomography in order to (i) establish measurement conditions leading to maximum absorption contrast between the two phases and (ii) determine interfacial volume. The optimal energy for measurement was determined to be 15 keV (having 18% transmission for the MgH2 phase and above 90% transmission for the LiBH4 phase). This work also focused on the determination of interfacial volume. Results showed that interfacial volume for each of the single phase systems, LiBH4 and MgH2, did not change much with catalysis using 4 mol % TiCl3. However, for the mixed composite system, interphase boundary volume was always higher in the catalyzed system; increasing from 15% to 33% in the 1:3 system, from 11% to 20% in the 1:1 system, and 2% to 14% in the 2:1 system. The parameters studied are expected to govern mass transport (i.e., diffusion) and ultimately lead to microstructure-based improvements on H2 desorption and uptake rates.

36 MATERIALS SCIENCE↗
DOE OSTI2016

In situ investigation of the formation and metastability of formamidinium lead tri-iodide perovskite solar cells

Organic–inorganic perovskites have emerged as an important class of next generation solar cells due to their remarkably low cost, band gap, and sub-900 nm absorption onset. Here, we show a series of in situ observations inside electron microscopes and X-ray diffractometers under device-relevant synthesis conditions focused on revealing the crystallization process of the formamidinium lead-triiodide perovskite at the optimum temperature of 175 °C. Direct in situ observations of the structure and chemistry over relevant spatial, temporal, and temperature scales enabled identification of key perovskite formation and degradation mechanisms related to grain evolution and interface chemistry. The lead composition was observed to fluctuate at grain boundaries, indicating a mobile lead-containing species, a process found to be partially reversible at a key temperature of 175 °C. Using low energy electron microscopy and valence electron energy loss spectroscopy, lead is found to be bonded in the grain interior with iodine in a tetrahedral configuration. At the grain boundaries, the binding energy associated with lead is consequently shifted by nearly 2 eV and a doublet peak is resolved due presumably to a greater degree of hybridization and the potential for several different bonding configurations. At the grain boundaries there is adsorption of hydrogen and OH¯ ions as a result of residual water vapor trapped as a non-crystalline material during formation. Lastly, insights into the relevant formation and decomposition reactions of formamidinium lead iodide at low to high temperatures, observed metastabilities, and relationship with the photovoltaic performance were obtained and used to optimize device processing resulting in conversion efficiencies of up to 17.09% within the stability period of the devices.

14 SOLAR ENERGY↗