Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “continuous improvement”

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 739 records · Page 41

An Efficient Reactive Force Field without Explicit Coordination Dependence for Studying Caustic Aluminum Chemistry

Reactive force fields (RFFs) are an expedient approach to sample chemical reaction paths in complex systems, relative to density functional theory. However, there is continued need to improve efficiencies, specifically in systems that have slow transverse degrees of freedom, as in highly viscous and superconcentrated solutions. Here, we present an RFF that is differentiated from current models (e.g., ReaxFF) by omitting explicit dependence on the atom coordination and employing a small parameter set based on Lennard-Jones, Gaussian, and Stillinger–Weber potentials. In this study, the model was parametrized from AIMD simulation data and is used to model aluminate reactivity in sodium hydroxide solutions with extensive validation against experimental radial distribution functions, computed free energy profiles for oligomerization, and formation energies. In conclusion, the model enables simulation of early stage Al(OH) 3 nucleation which has significant relevance to industrial processing of aluminum and has a computational cost that is reduced by 1 order of magnitude relative to ReaxFF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bio-inspired strategies for next-generation perovskite solar mobile power sources

Smart electronic devices are becoming ubiquitous due to many appealing attributes including portability, long operational time, rechargeability and compatibility with the user-desired form factor. Integration of mobile power sources (MPS) based on photovoltaic technologies with smart electronics will continue to drive improved sustainability and independence. With high efficiency, low cost, flexibility and lightweight features, halide perovskite photovoltaics have become promising candidates for MPS. Realization of these photovoltaic MPS (PV-MPS) with unconventionally extraordinary attributes requires new ‘out-of-box’ designs. Natural materials have provided promising designing solutions to engineer properties under a broad range of boundary conditions, ranging from molecules, proteins, cells, tissues, apparatus to systems in animals, plants, and humans optimized through billions of years of evolution. Applying bio-inspired strategies in PV-MPS could be biomolecular modification on crystallization at the atomic/meso-scale, bio-structural duplication at the device/system level and bio-mimicking at the functional level to render efficient charge delivery, energy transport/utilization, as well as stronger resistance against environmental stimuli (e.g., self-healing and self-cleaning). In this paper, we discuss the bio-inspired/-mimetic structures, experimental models, and working principles, with the goal of revealing physics and bio-microstructures relevant for PV-MPS. Here the emphasis is on identifying the strategies and material designs towards improvement of the performance of emerging halide perovskite PVs and strategizing their bridge to future MPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The ePIC Simulation Campaign Workflow on the Open Science Grid

The ePIC collaboration is realizing the first experiment of the future Electron-Ion Collider (EIC) at the Brookhaven National Laboratory that will allow for a precision study of the nucleons and the nucleus at the scale of sea quarks and gluons through the study of electron-proton/ion collisions. This paper will discuss the current workflow for running centralized simulation campaigns for ePIC on the Open Science Grid (OSG) infrastructure. This involves monthly releases of ePIC software and container deployments to CVMFS, generation of input datasets in HepMC format according to collaboration-defined policy, using Snakemake in CI/CD for validation and benchmarking, and submitting jobs to the OSG condor scheduler for opportunistic running on available resources. File transfers utilize XrootD, and Rucio is used for data management. The workflow is continuously refined to improve daily throughput (currently 50-100k core hours per day) and minimize job failures. Since May 2023, monthly simulation campaigns employing the workflow have cumulatively used over 20 million core hours on the OSG and produced over 350 TB of simulation data. The campaigns incorporate simulations for the broad science program of the EIC and are actively used for the detector and physics studies in preparation of the Technical Design Report (TDR).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High-pressure and temperature neural network reactive force field for energetic materials

Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive compared with electronic structure calculations and allow for simulations of millions of atoms. However, the accuracy of traditional force fields is limited by their functional forms, preventing continual refinement and improvement. Therefore, we develop a neural network-based reactive interatomic potential for the prediction of the mechanical, thermal, and chemical responses of energetic materials at extreme conditions. The training set is expanded in an automatic iterative approach and consists of various CHNO materials and their reactions under ambient and shock-loading conditions. Further, this new potential shows improved accuracy over the current state-of-the-art force fields for a wide range of properties such as detonation performance, decomposition product formation, and vibrational spectra under ambient and shock-loading conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Operando measurement of lattice strain in internal combustion engine components by neutron diffraction

Significance Internal combustion engine components experience extreme thermomechanical cycling during operation, and the continuing need to improve engine efficiency while maintaining or improving reliability drives the development of lightweight materials with improved thermal and mechanical integrity. Understanding the behavior of new materials in dynamic operation requires operando characterization tools, but conventional in situ measurements of material behavior during real engine operation are very limited, and no practical means exist to replicate such extreme dynamics for ex situ study. In this work, we demonstrate that the penetrating power of neutrons can provide noninvasive measurement of lattice strains inside components of a firing engine, enabling the operando study of complex load states and thermal gradients throughout the solid materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Angle-resolved photoemission studies of quantum materials

The physics of quantum materials is dictated by many-body interactions and mathematical concepts such as symmetry and topology that have transformed our understanding of matter. Angle-resolved photoemission spectroscopy (ARPES), which directly probes the electronic structure in momentum space, has played a central role in the discovery, characterization, and understanding of quantum materials ranging from strongly correlated states of matter to those exhibiting nontrivial topology. Over the past two decades, ARPES as a technique has matured dramatically with ever-improving resolution and continued expansion into the space, time, and spin domains. Simultaneously, the capability to synthesize new materials and apply nonthermal tuning parameters in situ has unlocked new dimensions in the study of all quantum materials. These developments are reviewed, and the scientific contributions they have enabled in contemporary quantum materials research are surveyed.

36 MATERIALS SCIENCE↗

Improving Performance and Durability of Low Temperature Direct Ammonia Fuel Cells: Effect of Backpressure and Oxygen Reduction Catalysts

Low temperature direct ammonia fuel cells (DAFCs) are attractive for transportation applications. The primary obstacle to their commercial use is their low performance and poor durability. In the present work, we focus on improving DAFCs performance and durability by examining the effect of operating backpressure and oxygen reduction reaction (ORR) catalysts such as Acta 4020, Pd/C and Pt/C. DAFCs with Acta 4020 cathode can reach a peak power density of 390 mW cm -2 which is among the best reported performance, but they can be operated for a period of 11 h at 300 mA cm -2 . DAFCs with Pd/C cathode offer a moderate performance with a peak power density of 304 mW cm -2 , but has a much improved durability - a continuous operation for up to 36 h with a slow decay rate of ~1 mV h -1 at 300 mA cm -2 . In addition, the degradation pathways for DAFCs with Pd/C cathode are probed by characterizing the initial and final electrodes by XPS, suggesting that cathodic Pd dissolution occurs during the durability test.

Electrochemistry↗

Application of Gaussian Bayes classifier to differentiate chlorine-based chemical agents

The Portable Isotopic Neutron Spectroscopy (PINS) is a commercialized system developed by Idaho National Laboratory (INL) to examine chemical warfare agents (CWA) non-destructively, utilizing Prompt Gamma Neutron Activation Analysis (PGNAA) techniques. The PINS system takes advantage of a high-resolution gamma-ray spectrum from a mechanically-cooled high-purity germanium (HPGe) detector. One of the difficult technical challenges is to discriminate the chlorine-based chemical agents. Especially, CN, CNB, CNS and CG have similar chemical compositions to make it hard to discriminate them with a higher confidence. Current identification algorithms for PINS systems with 252-Cf sources have been improved and updated continuously as more field data became available, and new algorithms was studied to complement the current algorithms by adopting the Gaussian Bayes classifier. These new algorithms were intended to be applied to a subset of chlorine-based chemical agents, and their main goal is discriminate CN, CNB, CNS and CG with their ratios of the chlorine neutron inelastic 1763keV peak to the chlorine thermal neutron capture 1959keV peak, which is referred to as the “Cl i/c” or “clic” ratio in this study. The Cl i/c ratios were assumed to follow Gaussian distributions with the means and the standard deviations unique to their corresponding chemical agents. The prior probabilities of these four chemical agents were optimized with a collection of field data to achieve the best performance in terms of precision or positive predictive value (PPV). Finally, their posterior probabilities as functions of the Cl i/c ratio were implemented in the current version of PINS analysis software in order to be tested with more field data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Evaluation of Hybrid FPOG Applications in Regulated and Deregulated Markets Using HERON

Recent changes in the U.S. energy market, such as low natural gas prices and increased electricity production for variable renewable energy (VRE) sources, have led to an economic crisis for existing light-water reactor (LWR) nuclear power plants (NPP). Many owners and operators of LWRs have elected to decommission these plants rather than continue using them as consistent sources of clean baseload power. This has led to exploration of various possibilities to increase the economic viability of these units, including market restructuring to monetize benefits LWRs already provide to the grid through ancillary markets, load following and economic dispatch, and possible integration of secondary systems directly to the NPP for production of additional products through technologies such as hydrogen electrolysis or water desalination. Previous studies have considered the technologies associated with these Integrated Energy Systems (IES) activities, and the analysis of markets for these secondary products. To analyze the economic viability of various system configurations including IES, especially given the uncertainty surrounding load demand, electricity prices, and the availability of VRE resources, the stochastic technoeconomic analysis package HERON (Heuristic Energy Resource Optimization Network) was released earlier this year as an extension of the risk analysis framework RAVEN (Risk Analysis Virtual Environment). HERON focuses foremost on making the complex uncertainty quantification analysis tools approachable for energy systems analysts, also providing general dispatch optimization algorithms for those workflows. HERON continues to be improved and tested as a significant part of the IES viability analyses performed in this work. HERON is not a capacity expansion model. To consider market and grid energy system development in a variety of scenarios, HERON is best used in coupling with modelling tools such as US-REGEN, which sacrifice some of the uncertainty analysis and resolution of HERON's modelling for the ability to efficiently predict the change in the grid energy system's profile due to economic drivers over decades. HERON can then use this information to explore the economic viability of introducing changes to the predicted outcomes, such as the introduction of an IES. In this work, experts at EPRI using US-REGEN provide six projection scenarios for use in HERON stochastic technoeconomic analysis (STEA) in considering the options available for increasing LWR economic viability through introduction of a hydrogen-centric IES using a high-temperature steam electrolysis plant (HTSE), hydrogen storage, and a constant-rate contracted hydrogen consumer. The results obtained are differential in nature; they do not report expected profits for any configuration, but rather report on the possible increase in the NPV of a configuration with respect to a baseline no-IES configuration. Due to the uncertainty captured in the variable net load of the systems, there is likewise uncertainty in the mean values reported. We consider this viability both in terms of a regulated market, where the energy producers and IES are owned and operated by single entity, as well as a deregulated market, where the IES chooses its bid for electricity generation and is then dispatched by the grid system operator. Results indicate that for deregulated markets, the inclusion of the IES is often statistically beneficial. This is especially true in policies that are not favorable towards nuclear, as nuclear is less often dispatched and is forced to deal with frequent idle capacity. In the nominal case as well as the case of carbon tax policies, inclusion of the IES clearly benefited the economic performance of the NPP. In the regulated case, however, there was a trend towards minimizing the IES, likely due to the optimal sizing performed by US-REGEN of the NPP within the system as well as the lack of penalty for idle capacity at the NPP in the regulated market analyses.

99 GENERAL AND MISCELLANEOUS↗

High-Performance Electron Sources: Numerical Methods and Beam Dynamics at the Precision Frontier

Electron sources have a wide range of applications and there are many stakeholders that express continuing need for improvements and performance enhancements. Whether we consider ultra-cold, high-brightness, high-charge or high-average current source needs, there are some common themes from the point of view of the beam dynamics involved. These are the following ones: ability to model accurately the emission processes, including the presence of often complicated cathode and other boundary surfaces with a wide range of spatial scales; ability to deal accurately and efficiently with a large number of particles interacting pair-wise, including the stochastic part of these interactions with a wide range of spatial scales; and ability to propagate the particle distributions in time, including collisions with a wide range of temporal scales. These tasks require high precision and accuracy since the goal is usually generation, transport and preservation of very high-quality beams. This grant addressed one of the rem

43 PARTICLE ACCELERATORS↗

Software Quality Assurance, Software Requirements and Gap Analysis for the MOOSE-Based Open-Source Multiphysics Code Cardinal

Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on maintaining and enhancing Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework. To facilitate compliance with SQA standards, the Cardinal SQA Program has been initiated during Fiscal Year 2023 (FY23).

97 MATHEMATICS AND COMPUTING↗

MAMBA: A Prototype Modern Modular Bubble Chamber for Precision Measurement of Neutrino Nucleus Cross Sections

High precision measurements of neutrino interactions are essential for the success of future neutrino oscillation experiments. Understanding the interaction rate and precise energy spectrum requires understanding of neutrino interactions and nuclear effects. Measuring interactions in a light nuclear target , such as Hydrogen or deuterium, would provide highly valuable input to reduce reduce the uncertainties associated with neutrino-nucleus cross sections, relevant for upcoming experiments like the Deep Underground Neutrino Experiment (DUNE) and Hyper-Kamiokande (Hyper-K). A bubble chamber presents an opportunity to study a light nuclear target using hydrogen in the liquid phase as a working fluid. However historical hydrogen bubble chamber designs if placed in modern neutrino beams would miss a significant fraction of the total number of available interactions. We present a bubble chamber prototype, MAMBA, which will be used to investigate strategies for inexpensively enabling continuous cycling through improved cooling at scale and expanding the active time of historic bubble chambers. MAMBA aims to demonstrate the feasibility of precision neutrino–nucleon measurements at conditions comparable to modern beams.

Martínez Casales, María [Fermilab] (ORCID:00000003↗

U.S. Pacific Coast Workshop Report on Preconstruction Research Recommendations (U.S. Offshore Wind Synthesis of Environmental Effects Research (SEER) Project)

In May 2022, the U.S. Offshore Wind Synthesis of Environmental Effects Research (SEER) project team hosted a stakeholder workshop focused on preconstruction (baseline) research needs for potential floating offshore wind (OSW) energy development on the U.S. Pacific Coast, including California, Oregon, and Washington. Prior to the workshop, the SEER team developed a set of initial synthesized research recommendations that were identified based on a review of relevant, publicly available resources and with advisory group input. The workshop covered three marine life breakout groups on subsequent days to discuss research recommendations related to 1) marine mammals and sea turtles, 2) fish and invertebrates, and 3) birds and bats. As part of the workshop, over a hundred participants from the public and private sectors provided feedback on various aspects of the initial research recommendations, including associated data and knowledge gaps, benefits/limitations of available methods and technologies, and technological advancements or infrastructure needed to address the recommendation. Approximately 1,000 total comments were received on the workshop MURAL boards and were synthesized in this report. Based on workshop feedback, SEER developed a final database of over 500 specific research recommendations based on more than 40 resources. In Fall 2022, the full database and a tool with updated synthesized research recommendations were disseminated on Tethys (https://tethys.pnnl.gov) to assist with informing future funding opportunities and research programming. There is a continued need to improve awareness of the potential environmental effects, monitoring technologies, and management strategies for floating OSW energy development on the U.S. Pacific Coast. Coordination of these activities will require the sustained involvement of multiple stakeholders from across sectors. Beyond the baseline considerations discussed in this workshop, future state-of-the-science activities should be planned to consider research needs across wind energy life cycle phases for all relevant wildlife taxa and associated habitat and ecosystem processes.

17 WIND ENERGY↗

Magnetoimpedance Biosensors and Real-Time Healthcare Monitors: Progress, Opportunities, and Challenges

A small DC magnetic field can induce an enormous response in the impedance of a soft magnetic conductor in various forms of wire, ribbon, and thin film. Also known as the giant magnetoimpedance (GMI) effect, this phenomenon forms the basis for the development of high-performance magnetic biosensors with magnetic field sensitivity down to the picoTesla regime at room temperature. Over the past decade, some state-of-the-art prototypes have become available for trial tests due to continuous efforts to improve the sensitivity of GMI biosensors for the ultrasensitive detection of biological entities and biomagnetic field detection of human activities through the use of magnetic nanoparticles as biomarkers. In this review, we highlight recent advances in the development of GMI biosensors and review medical devices for applications in biomedical diagnostics and healthcare monitoring, including real-time monitoring of respiratory motion in COVID-19 patients at various stages. We also discuss exciting research opportunities and existing challenges that will stimulate further study into ultrasensitive magnetic biosensors and healthcare monitors based on the GMI effect.

60 APPLIED LIFE SCIENCES↗

The ZTF Source Classification Project. I. Methods and Infrastructure

The Zwicky Transient Facility (ZTF) has been observing the entire northern sky since the start of 2018 down to a magnitude of 20.5 (5σ for 30 s exposure) in the g, r, and i filters. Over the course of two years, ZTF has obtained light curves of more than a billion sources, each with 50–1000 epochs per light curve in g and r, and fewer in i. To be able to use the information contained in the light curves of variable sources for new scientific discoveries, an efficient and flexible framework is needed to classify them. In this paper, we introduce the methods and infrastructure that will be used to classify all ZTF light curves. Our approach aims to be flexible and modular and allows the use of a dynamical classification scheme and labels, continuously evolving training sets, and the use of different machine-learning classifier types and architectures. Finally with this setup, we are able to continuously update and improve the classification of ZTF light curves as new data become available, training samples are updated, and new classes need to be incorporated.

79 ASTRONOMY AND ASTROPHYSICS↗

Panama Rainforest Changes with Experimental Drought (PaRChED): Initial Effects of Partial Throughfall Exclusion on Soil Dynamics in Lowland Forests Across Variation in Rainfall and Soil Fertility

Changes in rainfall are predicted across tropical regions, with effects on nutrient, water, and carbon cycling. This chapter summarizes results from the first two years of a throughfall exclusion experiment in four lowland Panamanian forests that span a 1,000-mm change in rainfall and variation in soil fertility. Soil respiration (i.e., soil carbon dioxide [CO2 ] flux) declined with throughfall exclusion, with a site*season interaction, and the radiocarbon age of respired carbon was older in exclusion versus control plots. The decline in soil CO2 flux could be related to reduced fine root production and soil microbial biomass. Microbial community composition also changed with throughfall exclusion in infertile soils, and soil nutrients accumulated more in exclusion versus control plots during the dry season. The net effects on soil carbon storage will depend on the relative strengths of these effects over time. Continued research could improve predictions of tropical forest-climate feedbacks with changes in precipitation.

54 ENVIRONMENTAL SCIENCES↗

Vehicle-scale investigation of a fluorine jet-pump liquid hydrogen tank pressurization system

A comprehensive analytical and experimental program was performed to evaluate the performance of a fluorine-hydrogen jet-pump injector for main tank injection (MTI) pressurization of a liquid hydrogen (LH2) tank. The injector performance during pressurization and LH2 expulsion was determined by a series of seven tests of a full-scale injector and MTI pressure control system in a 28.3 cu m (1000 cu ft) flight-weight LH2 tank. Although the injector did not effectively jet-pump LH2 continuously, it showed improved pressurization performance compared to straight-pipe injectors tested under the same conditions in a previous program. The MTI computer code was modified to allow performance prediction for the jet-pump injector.

Cady, E. C.↗

Acquisition and performance of a problem-solving skill.

The acquisition of skill in the performance of a three-phase code transformation task (3P-COTRAN) was studied with 20 subjects who solved 27 3P-COTRAN problems during each of 8 successive sessions. The purpose of the study was to determine the changes in the 3P-COTRAN factor structure resulting from practice, the distribution of practice-related gains in performance over the nine measures of the five 3P-COTRAN factors, and the effects of transformation complexities on the 3P-COTRAN performance of subjects. A significant performance gain due to practice was observed, with improvements in speed continuing even when accuracy reached asymptotic levels. Transformation complexity showed no effect on early performances but the 3- and 4-element transformations were solved quicker than the 5-element transformation in the problem-solving Phase III of later skilled performances.

Morgan, B. B., Jr.↗