Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “integration cost”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A High-Efficiency Delayed Update Algorithm for Evaluating Slater Determinants in Quantum Monte Carlo

For quantum Monte Carlo simulations of molecular systems or supercells with thousands of electrons, matrix operations related to Slater determinants lead the computational cost. McDaniel et al. [J. Chem. Phys. 2017, 147, 174107] proposed a delayed update algorithm to increase computational efficiency by using matrix–matrix multiplication when updating the inverse matrices of Slater determinants. However, preparing intermediate matrices for applying the Sherman–Morrison–Woodbury formula remained a bottleneck. Here, in this work, we introduce an improved algorithm for CPUs and GPUs that (1) reduces this bottleneck by iteratively updating the intermediate matrices and (2) is efficient at any acceptance ratio, with no cost for rejected moves on CPUs and minimal cost on GPUs. We show the full scheme of integrating the delayed update algorithm into a single-electron move. The high efficiency of our algorithm is demonstrated on CPUs and GPUs for a 512 atom/6144 valence electron calculation, with 12× and 2× overall speed-up compared to traditional rank-1 update schemes in diffusion quantum Monte Carlo, respectively.

Luo, Ye [Argonne National Laboratory (ANL), Argonn↗
DOE OSTI2026

Machine-Learning-Driven Discovery of Water Splitting BaFe 2 O 4 and Human-in-the-Loop Improvement via Al-Substitution for Increased Thermal Stability

Thermochemical hydrogen (TCH) production offers a promising method for converting thermal energy into hydrogen fuel through heat-driven redox cycles of metal oxides. Here, in this work a defect graph neural network (dGNN) was used to predict oxygen vacancy formation energies ΔH V O combined with Materials Project predictions of oxygen chemical potential stability to screen candidate oxides via high-throughput database analysis. BaFe 2 O 4 was identified as a promising material for experimental validation based on its predicted ΔH V O , oxygen chemical potential stability range, and potential for tunable substitutions to improve thermal properties. Experimental validation using thermogravimetric analysis (TGA), stagnation flow reactor (SFR), X-ray diffraction (XRD), and electron microscopy confirmed positive water-splitting behavior but also revealed limitations in thermal stability under aggressive reduction conditions. To address this, a human-in-the-loop modification strategy was employed introducing Al substitution in BaFe 2–x Al x O 4 ; this modification improves thermal stability, alters the crystal structure and enhances overall performance. These results demonstrate a combined computational and experimental workflow in which machine learning accelerates identification of promising candidates, while targeted experimental design enables optimization of functional performance. This approach advances the development of robust, cost-effective TCH materials and highlights the importance of integrating data-driven discovery with human-guided materials design in paving the way for scalable hydrogen production technologies.

organic↗
DOE OSTI2025

Toward a Unified Kinetic Model of Nitrogenase Catalysis

The microbial enzyme nitrogenase catalyzes the MgATP-dependent reduction of N 2 to 2NH 3 , a transformation central to the global nitrogen cycle. While the canonical Thorneley−Lowe (TL) kinetic model has long served as a mechanistic framework, it does not incorporate several recent insights. Here, we present an updated kinetic model for Monitrogenase that incorporates these new findings. A significant insight is that electron transfer (ET) from the reduced Fe protein to the FeMo-cofactor is gated by MgATP-dependent conformational transitions and can be described as a probabilistic event that is dependent on the ligand bound to the active-site metallocofactor. The updated kinetic model quantitatively reproduces steady-state product formation rates across a broad range of experimental conditions, yielding revised estimates for key rate constants. It is demonstrated that under N 2 turnover, the probability of productive ET to the active site decreases by ∼60%, resulting in a significant fraction of Fe protein cycles that are unproductive for electron delivery. This mechanistic feature explains the observed rate limitation in N 2 reduction and implies a revised minimum energetic cost of approximately 25 MgATP per N 2 reduced. Integrating these new features into the revised kinetic model provides a more complete and usable foundation for understanding nitrogenase catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Thermal processing to modulate surface chemistry and bulk charge distribution in nickel-rich layered lithium positive electrodes

The broader application of nickel-rich layered oxides as positive electrode materials for lithium-ion batteries has been hindered by their high manufacturing cost and inferior cycling stability. Thermal processing, which is integral to electrode materials manufacturing and fundamental in materials science, has not been fully utilized to design advanced positive electrode materials. Herein, we demonstrate the capability of using quenching heat treatment to regulate Li distribution and modulate electronic structure near particle surface. The resulting materials exhibit less parasitic reactions with the electrolyte and an improved charge distribution homogeneity in secondary particles, leading to more stable cycling performance at high voltages (4.5 V vs Li/Li + ). Our synchrotron X-ray analyses reveal the underlying interplay between surface structure and bulk charge distribution in positive electrode materials particles. While strategies used to stabilize positive electrode materials through compositional control, surface modification, and electrolyte engineering have become mature, thermal processing can be advantageous to further improve positive electrode materials manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electrocatalytic water oxidation performance in an extended porous organic framework with a covalent alliance of distinct Ru sites

The rational synthesis of durable, earth-abundant efficient electrocatalysts for the oxygen evolution reaction (OER) from water is one of the most important routes for storing renewable energy and minimizing fossil fuel combustion. The prime hurdles for effectively utilizing commercial RuO 2 as (OER) electrocatalysts are its very low stability, catalyst deactivation, and high cost. In this work, we explored a Ru-integrated porous organic polymer (Ru@Bpy-POP) by a facile one-pot Friedel–Crafts alkylation strategy between redox-active (Ru(demob) 3 Cl 2 ) and a carbazole unit, which is composed of unique features including an extended framework unit, isolated active sites, and tunable electrode kinetics. Ru@Bpy-POP can serve as a bridge between a Metal–Organic Framework (MOF) and POP-based catalytic systems with a balanced combination of covalent bonds (structural stability) and open metal sites (single site catalysis). Ru@Bpy-POP, deposited on a three-dimensional nickel foam electrode support, exhibits a promising electrocatalytic OER activity with an ultra-low ruthenium loading compared to a benchmark RuO 2 catalyst, providing an overpotential of about 270 mV to reach 10 mA cm –2 in an alkaline medium. Moreover, a high current density of 248 mA cm –2 was achieved for the Ru@Bpy-POP catalyst at only 1.6 V (vs. RHE), which is much higher than 91 mA cm –2 for commercial RuO 2 . The robust, albeit highly conjugated, POP framework not only triggered facile electro-kinetics but also suppressed aggregation and metallic corrosion during electrolysis. In particular, the benefits of covalent integration of distinct Ru sites into the framework can modulate intermediate adsorption and charge density, which contributes to its exceptional OER activity. All of the critical steps involved in OER are complemented by Density Functional Theory (DFT) calculations, which suggest that electrocatalytic water oxidation proceeds from a closed-shell configuration to open-shell electronic configurations with high-spin states. Finally, these open-shell configurations are more stable than their closed-shell counterparts by 1 eV, improving the overall catalytic activity.

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

Addressing Market Issues in Electrical Power Systems with Large Shares of Variable Renewable Energy

This paper reports recent findings from IEA Wind TCP Task 25, which compiles international experiences and research related to large-scale integration of wind and other renewable energy. In the paper, we address the main challenges for market integration of variable renewable energy, relating to price formation, cost recovery, balancing and other grid services. The paper gives an overview of recent scenario studies on electricity price impacts of (1) various generation, energy storage and demand types in different markets, and (2) different market designs and energy/climate policies. Studying markets with very high shares of variable renewable energy requires an improved set of analysis tools for forecasting market outcomes, estimating flexibility needs and sources, and assessing resource adequacy. Key market features need to be investigated within these improved analytical capabilities for systems transitioning to high shares of variable renewable energy, storage and flexible demand. System services that can be supported by markets will likely need to be revisited. Finally, this paper identifies open questions and suggested future market design work for supporting systems with very high shares of variable renewable energy, which are to be addressed in follow-up work of Task 25 collaborative research.

cost recovery↗
DOE OSTI2024

Labeling sequential data from noisy annotations

Crowdsourcing algorithms often work under the assumption that the data samples are independent. Recent work has shown that data dependence, such as temporal correlations in sequential data, can be leveraged to improve the label quality. Existing methods that exploit this special structure rely on third-order statistics of the annotator outputs to ensure the identifiability of key latent parameters, which are costly to acquire. This work proposes an approach for integrating crowdsourced annotations under the Dawid-Skene/Hidden Markov Model (DS-HMM) for sequential data based on second-order statistics, which naturally enjoys a lower sample complexity. An effective algorithm is proposed to tackle the challenging optimization problem associated with the proposed estimator. Numerical experiments showcase the effectiveness of the data labeling paradigm.

Marrinan, Timothy P.↗
DOE OSTI2025

A Large Bore Conduction Cooled Superconducting Magnet for the Princeton Axion Search

Princeton University (PU) is designing and building a new experiment, called the Princeton Axion Search (PXS), that aims to discover (or exclude) Quantum Chromodynamics (QCD) axions in the 0.8–2 μeV mass range that are the cosmological dark matter. Core elements of the experiment are new, and in particular new to the search for axion dark matter. An essential component of the experiment is a 5 T superconducting magnet with a total bore volume of ~500 L. The Princeton Plasma Physics Laboratory (PPPL), a Department of Energy (DOE) Laboratory managed by Princeton University, has the unique expertise and experimental facilities to design and construct such a solenoid magnet assembled with the cavity resonator for PXS. To support this, PPPL utilizes legacy ITER-Nb3Sn conductors, along with its experimental facilities and expertises to design, build and test low-cost conduction-cooled superconducting solenoid magnets to be integrated into the axion detector. This paper discusses the various coil design and integration challenges in the large bore conduction cooled magnet in support of PXS. In conclusion, the proposed instrumental methods will help optimize the path to future and more ambitious axion searches at lower masses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Physics and applications of quantum dot lasers for silicon photonics

Abstract Photonic integrated circuits (PICs) have enabled numerous high performance, energy efficient, and compact technologies for optical communications, sensing, and metrology. One of the biggest challenges in scaling PICs comes from the parasitic reflections that feed light back into the laser source. These reflections increase noise and may cause laser destabilization. To avoid parasitic reflections, expensive and bulky optical isolators have been placed between the laser and the rest of the PIC leading to large increases in device footprint for on-chip integration schemes and significant increases in packaging complexity and cost for lasers co-packaged with passive PICs. This review article reports new findings on epitaxial quantum dot lasers on silicon and studies both theoretically and experimentally the connection between the material properties and the ultra-low reflection sensitivity that is achieved. Our results show that such quantum dot lasers on silicon exhibit much lower linewidth enhancement factors than any quantum well lasers. Together with the large damping factor, we show that the quantum dot gain medium is fundamentally dependent on dot uniformity, but through careful optimization, even epitaxial lasers on silicon can operate without an optical isolator, which is of paramount importance for the future high-speed silicon photonic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

TURBO: Terabits/s Using Reconfigurable Bandwidth Optics (Final Report)

Large scale, big science applications are generating petabytes of data that need to be shared among multiple locations. Moving a petabyte of data at 100 Gb/s takes 22 hours. Reducing this to single digit hours or below is clearly attractive and with future applications anticipating exabyte scale transfers, multi-terabit per second capacities are needed. This scale of capacity is available using optical systems. Core optical systems have aggregate per fiber capacities on the order of 10 Tb/s and more than 100 Tb/s system experiments have been realized in the lab. But large optical capacities are not just reserved for the core as similar system capacities are available in metro networks right up to the enterprise, campus, or data center. In general, the same technology is used today in the metro area as in the long-haul networks—reconfigurable optical add drop multiplexing (ROADM) node-based wavelength division multiplexing (WDM) systems. Data centers already support massive internal capacities on the scale of 100’s of Tb/s. As new photonic integrated technologies mature, for example through initiatives such as the Integrated Photonics Innovative Manufacturing Institute (IP-IMI), the cost of optical interfaces is expected to decrease, and higher capacity and higher performance interfaces will become more affordable. This set of circumstances creates the potential that Tb/s capacities will be available at the enterprise and campus level to support large scale science network applications.

42 ENGINEERING↗
DOE OSTI2020

Supercritical Treatment Technology for Water Purification (Annual Final Report)

This project continued the development of the Supercritical Water Extraction – Enhanced Targeted Recovery (SWEETR™) technology, a novel desalination process for treating hypersaline brines. The overall objective is to demonstrate the technical and economic feasibility of an innovative, energy efficient, and robust supercritical desalination technology to treat hypersaline solutions and separating saltwater into a pure water stream and valuable recovered solids, resulting in zero liquid discharge (ZLD). The proposed technology, focuses on innovative methods of applying supercritical water to treat highly concentrated brine solutions without incurring a high energy penalty. Integrating the technology with solar energy reduces the energy cost for the system. The results obtained during the proof-of-concept testing demonstrate that the SWEETR™ concept is technically feasible and that supercritical water treatment is a viable option with strong merit for treating high salinity waters. The strategic design of the system provides the opportunity to localize the supercritical zone, which helps reduce the overall energy cost associated with the desalination process. The process can be tuned to remove only the amount of salts required to make the treated water “fit for purpose”, providing further opportunities to minimize energy costs. The ability to destroy organic compounds associated with the water while simultaneously being able to desalinate makes SWEETR™ uniquely fitted for treating aqueous streams such as produced water from oil and gas extraction which contain small amounts of organics. Such mixed contaminant streams pose an extreme challenge for other treatment options. Future work will further develop the SWEETR™ technology to take it from the bench-scale to the pilot-scale, and ready the technology for commercial application.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2021

Performance Evaluation of Comparative Vacuum Monitoring and Piezoelectric Sensors for Structural Health Monitoring of Rotorcraft Components

The costs associated with the increasing maintenance and surveillance needs of aging structures are rising at an unexpected rate. Multi-site fatigue damage, hidden cracks in hard-to-reach locations, disbonded joints, erosion, impact, and corrosion are among the major flaws encountered in today’s extensive fleet of aging aircraft and space vehicles. Aircraft maintenance and repairs represent about a quarter of a commercial fleet’s operating costs. The application of Structural Health Monitoring (SHM) systems using distributed sensor networks can reduce these costs by facilitating rapid and global assessments of structural integrity. The use of in-situ sensors for real-time health monitoring can overcome inspection impediments stemming from accessibility limitations, complex geometries, and the location and depth of hidden damage. Reliable, structural health monitoring systems can automatically process data, assess structural condition, and signal the need for human intervention. The ease of monitoring an entire on-board network of distributed sensors means that structural health assessments can occur more often, allowing operators to be even more vigilant with respect to flaw onset. SHM systems also allow for condition-based maintenance practices to be substituted for the current time-based or cycle-based maintenance approach thus optimizing maintenance labor. The Federal Aviation Administration has conducted a series of SHM validation and certification programs intended to comprehensively support the evolution and adoption of SHM practices into routine aircraft maintenance practices. This report presents one of those programs involving a Sandia Labs-aviation industry effort to move SHM into routine use for aircraft maintenance. The Airworthiness Assurance NDI Validation Center (AANC) at Sandia Labs, in conjunction with Sikorsky, Structural Monitoring Systems Ltd., Anodyne Electronics Manufacturing Corp., Acellent Technologies Inc., and the Federal Aviation Administration (FAA) carried out a trial validation and certification program to evaluate Comparative Vacuum Monitoring (CVM) and Piezoelectric Transducers (PZT) as a structural health monitoring solution to specific rotorcraft applications. Validation tasks were designed to address the SHM equipment, the health monitoring task, the resolution required, the sensor interrogation procedures, the conditions under which the monitoring will occur, the potential inspector population, adoption of CVM and PZT systems into rotorcraft maintenance programs and the document revisions necessary to allow for their routine use as an alternate means of performing periodic structural inspections. This program addressed formal SHM technology validation and certification issues so that the full spectrum of concerns, including design, deployment, performance and certification were appropriately considered. Sandia Labs designed, implemented, and analyzed the results from a focused and statistically relevant experimental effort to quantify the reliability of a CVM system applied to Sikorsky S-92 fuselage frame application and a PZT system applied to an S-92 main gearbox mount beam application. The applications included both local and global damage detection assessments. All factors that affect SHM sensitivity were included in this program: flaw size, shape, orientation and location relative to the sensors, as well as operational and environmental variables. Statistical methods were applied to performance data to derive Probability of Detection (POD) values for SHM sensors in a manner that agrees with current nondestructive inspection (NDI) validation requirements and is acceptable to both the aviation industry and regulatory bodies. The validation work completed in this program demonstrated the ability of both CVM and PZT SHM systems to detect cracks in rotorcraft components. It proved the ability to use final system response parameters to provide a Green Light/Red Light (“GO” – “NO GO”) decision on the presence of damage. In additional to quantifying the performance of each SHM system for the trial applications on the S-92 platform, this study also identified specific methods that can be used to optimize damage detection, guidance on deployment scenarios that can affect performance and considerations that must be made to properly apply CVM and PZT sensors. These results support the main goal of safely integrating SHM sensors into rotorcraft maintenance programs. Additional benefits from deploying rotorcraft Health and Usage Monitoring Systems (HUMS) may be realized when structural assessment data, collected by an SHM system, is also used to detect structural damage to compliment the operational environment monitoring. The use of in-situ sensors for health monitoring of rotorcraft structures can be a viable option for both flaw detection and maintenance planning activities. This formal SHM validation will allow aircraft manufacturers and airlines to confidently make informed decisions about the proper utilization of CVM and PZT technology. It will also streamline future regulatory actions and formal certification measures needed to assure the safe application of SHM solutions.

42 ENGINEERING↗
DOE OSTI2025

PSEC5 Physical Verification

Ultra-Fast timing detectors, having a time resolution of 10pSec or less, are becoming increasingly important for many scientific disciplines, including High Energy Physics, Nuclear Physics, Medical Imaging and more. When developing ultra-fast detectors such as MCPs, LAPPDs, LGADs, SNSPDs, it is necessary to have access to a readout system that is low power, can support many channels and is cost effective. The PSEC5 chip was an application specific integrated circuit (ASIC) developed by the pioneering group of Prof. Henry Frisch at University of Chicago and micro electronic engineers at Fermi National Accelerator Laboratory. Three boards were designed, two to implement the readout system for an LAPPD and one to only characterize the PSEC1 chip. The main goal of the project shifted to setting up a testing environment to focus on the characterization of the chip. My student and I tested and characterized this ASIC using the third chip-on-board printed circuit board. Results show the successful fabrication and operation of some of the key building blocks and lead to the suggestions on modification for the second iteration of the chip.

Rico Aniles, H. D. [Unlisted]↗
DOE OSTI2026

A Systematic Review and Integrated Approach to Modeling of Aging Utility Scale PV Systems

The growing deployment of utility-scale photovoltaic (PV) systems has increased the importance of techno-economic modeling operational photovoltaic (PV) systems for predicting energy yield, optimizing asset management, and informing financial decisions. Through a systematic review of literature and current industry practices, we review the different common modeling practices of a system's configuration and age, performance and degradation, operation and maintenance (O&M), while also focusing on specific considerations for repowering, revamping, and decommissioning. Building on the synthesis, we develop a structured framework for techno-economic modeling of operating PV systems that integrate performance and degradation analysis, a decommissioning and repowering cost model that estimates the system's end-of-life costs to reduce uncertainty quantifications and improve consistency across the sector. This research contributes to improved modeling methodologies and potentially to reduced financial performance requirements by providing practitioners with input resources and practical approaches to estimate performance, degradation, and costs associated with continued operation, revamping, repowering, or decommissioning decisions.

14 SOLAR ENERGY↗
NASA NTRS1972

The solar electric propulsion stage concept for high energy missions.

Definition of multimission and engine performance requirements for candidate solar electric propulsion stage configurations, considering launch vehicle compatibility, electric propulsion integration, payload requirements, and the effects of environmental extremes. Electric propulsion power options include two solar array power levels (15/22 kW), up to twelve electric thrustors of 30 cm diameter and 2.7 kW each, five to eight power conditioning units, and a maximum mercury propellant capacity of 1530 kg. In performance, the stage with a dry weight of 700 to 900 kg can deliver a net mass of 756 kg into Saturn orbit, 329 kg into a tight Mercury orbit, and 334 kg within 0.1 AU of the sun. The stage can also deliver a round trip payload of 3350 kg to geosynchronous orbit and return from an intermediate elliptical orbit using the Shuttle/Tug. Thus, a versatile stage is developed which competes effectively in performance with existing integrated spacecraft and promises considerable savings in total program costs.

Guttman, C. H.↗
NASA NTRS1971

Development of a plan for automating integrated circuit processing

The operations analysis and equipment evaluations pertinent to the design of an automated production facility capable of manufacturing beam-lead CMOS integrated circuits are reported. The overall plan shows approximate cost of major equipment, production rate and performance capability, flexibility, and special maintenance requirements. Direct computer control is compared with supervisory-mode operations. The plan is limited to wafer processing operations from the starting wafer to the finished beam-lead die after separation etching. The work already accomplished in implementing various automation schemes, and the type of equipment which can be found for instant automation are described. The plan is general, so that small shops or large production units can perhaps benefit. Examples of major types of automated processing machines are shown to illustrate the general concepts of automated wafer processing.

Source record↗
NASA NTRS1976

Shuttle infrared telescope facility (SIRTF) preliminary design study

An overall picture of the SIRTF system is first presented, including the telescope, focal plane instruments, cryogen supply, shuttle and spacelab support subsystems, mechanical and data interfaces with the vehicles, ground support equipment, and system requirements. The optical, mechanical, and thermal characteristics of the telescope are then evaluated, followed by a description of the SIRTF internal stabilization subsystem and its interface with the IPS. Expected performance in the shuttle environment is considered. Tradeoff studies are described, including the Gregorian versus the Cassegrain telescope, aperture diameter tradeoff, a CCD versus an image dissector for the star tracker, the large ambient telescope versus the SIRTF, and a dedicated gimbal versus the IPS. Operations from integration through launch and recovery are also discussed and cost estimates for the program are presented.

Source record↗