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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗
DOE OSTI2022

Spectral control of nonclassical light pulses using an integrated thin-film lithium niobate modulator

Abstract Manipulating the frequency and bandwidth of nonclassical light is essential for implementing frequency-encoded/multiplexed quantum computation, communication, and networking protocols, and for bridging spectral mismatch among various quantum systems. However, quantum spectral control requires a strong nonlinearity mediated by light, microwave, or acoustics, which is challenging to realize with high efficiency, low noise, and on an integrated chip. Here, we demonstrate both frequency shifting and bandwidth compression of heralded single-photon pulses using an integrated thin-film lithium niobate (TFLN) phase modulator. We achieve record-high electro-optic frequency shearing of telecom single photons over terahertz range (±641 GHz or ±5.2 nm), enabling high visibility quantum interference between frequency-nondegenerate photon pairs. We further operate the modulator as a time lens and demonstrate over eighteen-fold (6.55 nm to 0.35 nm) bandwidth compression of single photons. Our results showcase the viability and promise of on-chip quantum spectral control for scalable photonic quantum information processing.

Optics↗
DOE OSTI2019

Building in vitro transcriptional regulatory networks by successively integrating multiple functional circuit modules

The regulation of cellular dynamics and responses to stimuli by genetic regulatory networks suggests how in vitro chemical reaction networks might analogously direct the dynamics of synthetic materials or chemistries. A key step in developing genetic regulatory network analogues capable of this type of sophisticated regulation is the integration of multiple coordinated functions within a single network. In this study, we demonstrate how such functional integration can be achieved using in vitro transcriptional genelet circuits that emulate essential features of cellular genetic regulatory networks. By successively incorporating functional genelet modules into a bistable circuit, we construct an integrated regulatory network that dynamically changes its state in response to upstream stimuli and coordinates the timing of downstream signal expression. We use quantitative models to guide module integration and develop strategies to mitigate undesired interactions between network components that arise as the size of the network increases. This approach could enable the construction of in vitro networks capable of multifaceted chemical and material regulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Tomographic inversion techniques incorporating physical constraints for line integrated spectroscopy in stellarators and tokamaks

Accurate tomographic inversion is important for diagnostic systems on stellarators and tokamaks which rely on measurements of line integrated emission spectra. A tomographic inversion technique based on spline optimization with enforcement of constraints is described that can produce unique and physically relevant inversions even in situations with noisy or incomplete input data. This inversion technique is routinely used in the analysis of data from the x-ray imaging crystal spectrometer (XICS) installed at the Large Helical Device. The XICS diagnostic records a 1D image of line integrated emission spectra from impurities in the plasma. Through the use of Doppler spectroscopy and tomographic inversion, XICS can provide profile measurements of the local emissivity, temperature, and plasma flow. Tomographic inversion requires the assumption that these measured quantities are flux surface functions, and that a known plasma equilibrium reconstruction is available. In the case of low signal levels or partial spatial coverage of the plasma cross-section, standard inversion techniques utilizing matrix inversion and linear-regularization often cannot produce unique and physically relevant solutions. The addition of physical constraints, such as parameter ranges, derivative directions, and boundary conditions, allow for unique solutions to be reliably found. The constrained inversion technique described here utilizes a modified Levenberg-Marquardt optimization scheme, which introduces a condition avoidance mechanism by selective reduction of search directions. The constrained inversion technique also allows for the addition of more complicated parameter dependencies, for example, geometrical dependence of the emissivity due to asymmetries in the plasma density arising from fast rotation. The accuracy of this constrained inversion technique is discussed, with an emphasis on its applicability to systems with limited plasma coverage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Demonstration of a time-integrated short line of sight neutron imaging system for inertial confinement fusion

The Neutron Imaging System (NIS) is an important diagnostic for understanding implosions of deuterium-tritium capsules at the National Ignition Facility. While the detectors for the existing system must be positioned 28 m from the source to produce sufficient imaging magnification and resolution, recent testing of a new short line of sight neutron imaging system has shown sufficient resolution to allow reconstruction of the source image with quality similar to that of the existing NIS on a 11.6 m line of sight. The new system used the existing pinhole aperture array and a stack of detectors composed of 2 mm thick high-density polyethylene converter material followed by an image plate. In these detectors, neutrons enter the converter material and interact with protons, which recoil and deposit energy within the thin active layer of the image plate through ionization losses. The described system produces time-integrated images for all neutron energies passing through the pinhole. We present details of the measurement scheme for this novel technique to produce energy-integrated neutron images as well as source reconstruction results from recent experiments at NIF.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

MEASUREMENT OF GALAXY CLUSTER INTEGRATED COMPTONIZATION AND MASS SCALING RELATIONS WITH THE SOUTH POLE TELESCOPE

We describe a method for measuring the integrated Comptonization (Y {sub SZ}) of clusters of galaxies from measurements of the Sunyaev-Zel'dovich (SZ) effect in multiple frequency bands and use this method to characterize a sample of galaxy clusters detected in the South Pole Telescope (SPT) data. We use a Markov Chain Monte Carlo method to fit a β-model source profile and integrate Y {sub SZ} within an angular aperture on the sky. In simulated observations of an SPT-like survey that include cosmic microwave background anisotropy, point sources, and atmospheric and instrumental noise at typical SPT-SZ survey levels, we show that we can accurately recover β-model parameters for inputted clusters. We measure Y {sub SZ} for simulated semi-analytic clusters and find that Y {sub SZ} is most accurately determined in an angular aperture comparable to the SPT beam size. We demonstrate the utility of this method to measure Y {sub SZ} and to constrain mass scaling relations using X-ray mass estimates for a sample of 18 galaxy clusters from the SPT-SZ survey. Measuring Y {sub SZ} within a 0.'75 radius aperture, we find an intrinsic log-normal scatter of 21% ± 11% in Y {sub SZ} at a fixed mass. Measuring Y {sub SZ} within a 0.3 Mpc projected radius (equivalent to 0.'75 at the survey median redshift z = 0.6), we find a scatter of 26% ± 9%. Prior to this study, the SPT observable found to have the lowest scatter with mass was cluster detection significance. We demonstrate, from both simulations and SPT observed clusters that Y {sub SZ} measured within an aperture comparable to the SPT beam size is equivalent, in terms of scatter with cluster mass, to SPT cluster detection significance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Modeling and Assessment of Integrated Hydroelectric Power and Hydrogen Energy Storage

Environmental and regulatory constraints are increasingly posing challenges to the optimal operation of hydroelectric facilities. Hydrogen energy storage (HES) is well-suited to address these challenges.Using excess or low-cost hydroelectric power during off-peak hours to produce hydrogen can help reduce water spills and unlock opportunities for energy arbitrage. Moreover, the oxygen byproduct of electrolysis can be used to improve the dissolved oxygen (DO) levels in tailrace water. %, a key water quality metric for hydroelectric facilities.This paper presents an innovative framework for modeling and assessing the integrated hydroelectric-hydrogen system, considering subsystem constraints and coupling, benefits in spill water reduction and DO mitigation, as well as diverse hydrogen utilization, including re-electrification, blending with natural gas, and direct sales. Comprehensive case studies were conducted to assess the techno-economic performance of the integrated system in different deployment scenarios.

Energy storage, Hydrogen, Hydropower, Optimization↗
DOE OSTI2021

EMS and DMS Integration of the Coordinative Real-time Sub-Transmission Volt-Var Control Tool under High DER Penetration

This paper proposes an applicable approach to deploy the Coordinative Real-time Sub-Transmission Volt-Var Control Tool (CReST-VCT), and a holistic system integration framework considering both the energy management system (EMS) and distribution system management system (DMS). This provides an architectural basis and can serve as the implementation guideline of CReST-VCT and other advanced grid support tools, to co-optimize the operation benefits of DERs and assets in both transmission and distribution networks. Potential communication protocols for different physical domains of a real application is included. Performance and security issues are also discussed, along with specific considerations for field deployment. Finally, the paper presents a viable pathway for CReST-VCT and other advanced grid support tools, which could be integrated in an open-source standardized-based platform that supports distribution utilities.

Nguyen, Quan H.↗
DOE OSTI2013

Integrated Energy-Water Planning in the Western and Texas Interconnections

While long-term regional electricity transmission planning has traditionally focused on cost, infrastructure utilization, and reliability, issues concerning the availability of water represent an emerging issue. Thermoelectric expansion must be considered in the context of competing demands from other water use sectors balanced with fresh and non-fresh water supplies subject to climate variability. An integrated Energy-Water Decision Support System (DSS) is being developed that will enable planners in the Western and Texas Interconnections to analyze the potential implications of water availability and cost for long-range transmission planning. The project brings together electric transmission planners (Western Electricity Coordinating Council and Electric Reliability Council of Texas) with western water planners (Western Governors’ Association and the Western States Water Council). This paper lays out the basic framework for this integrated Energy-Water DSS.

electricity↗
DOE OSTI2018

At the Nexus of History, Ecology, and Hydrobiogeochemistry: Improved Predictions across Scales through Integration

To improve predictions of ecosystem function in future environments, we need to integrate the ecological and environmental histories experienced by microbial communities with hydrobiogeochemistry across scales. A key issue is whether we can derive generalizable scaling relationships that describe this multiscale integration. There is a strong foundation for addressing these challenges. We have the ability to infer ecological history with null models and reveal impacts of environmental history through laboratory and field experimentation. Recent developments also provide opportunities to inform ecosystem models with targeted omics data. A major next step is coupling knowledge derived from such studies with multiscale modeling frameworks that are predictive under non-steady-state conditions. This is particularly true for systems spanning dynamic interfaces, which are often hot spots of hydrobiogeochemical function. We can advance predictive capabilities through a holistic perspective focused on the nexus of history, ecology, and hydrobiogeochemistry.

Stegen, James C. (ORCID:0000000191357424)↗
DOE OSTI2021

Integrated Framework of Vehicle Dynamics, Instabilities, Energy Models, and Sparse Flow Smoothing Controllers

This work presents an integrated framework of: vehicle dynamics models, with a particular attention to instabilities and traffic waves; vehicle energy models, with particular attention to accurate energy values for strongly unsteady driving profiles; and sparse Lagrangian controls via automated vehicles, with a focus on controls that can be executed via existing technology such as adaptive cruise control systems. This framework serves as a key building block in developing control strategies for human-in-the-loop traffic flow smoothing on real highways. In this contribution, we outline the fundamental merits of integrating vehicle dynamics and energy modeling into a single framework, and we demonstrate the energy impact of sparse flow smoothing controllers via simulation results.

Lee, Jonathan W.↗
DOE OSTI2018

High-throughput cancer hypothesis testing with an integrated PhysiCell-EMEWS workflow

BackgroundCancer is a complex, multiscale dynamical system, with interactions between tumor cells and non-cancerous host systems. Therapies act on this combined cancer-host system, sometimes with unexpected results. Systematic investigation of mechanistic computational models can augment traditional laboratory and clinical studies, helping identify the factors driving a treatment's success or failure. However, given the uncertainties regarding the underlying biology, these multiscale computational models can take many potential forms, in addition to encompassing high-dimensional parameter spaces. Therefore, the exploration of these models is computationally challenging. We propose that integrating two existing technologiesone to aid the construction of multiscale agent-based models, the other developed to enhance model exploration and optimizationcan provide a computational means for high-throughput hypothesis testing, and eventually, optimization.ResultsIn this paper, we introduce a high throughput computing (HTC) framework that integrates a mechanistic 3-D multicellular simulator (PhysiCell) with an extreme-scale model exploration platform (EMEWS) to investigate high-dimensional parameter spaces. We show early results in applying PhysiCell-EMEWS to 3-D cancer immunotherapy and show insights on therapeutic failure. We describe a generalized PhysiCell-EMEWS workflow for high-throughput cancer hypothesis testing, where hundreds or thousands of mechanistic simulations are compared against data-driven error metrics to perform hypothesis optimization.ConclusionsWhile key notational and computational challenges remain, mechanistic agent-based models and high-throughput model exploration environments can be combined to systematically and rapidly explore key problems in cancer. These high-throughput computational experiments can improve our understanding of the underlying biology, drive future experiments, and ultimately inform clinical practice.

Agent-based model↗
DOE OSTI2023

Operation Optimization using Reinforcement Learning with Integrated Artificial Reasoning Framework

In large and complex systems, operational decision-making requires a systematic analysis with a vast amount of data from both process parameters and component status monitoring. In this paper, we present an integrated artificial reasoning approach for system state transition models that can help operational decision-making with explainable and traceable reasoning. The integrated artificial reasoning framework is a physics-based approach of defining the system structure in a Bayesian network, so we leveraged it in a Markov decision process (MDP) for finding optimal operational solutions. In our proposed framework, the MDP is implemented on a dynamic Bayesian network (DBN), which represents causalities in a system. The multilevel flow modeling was utilized in order to extract these causalities in a more efficient and objective manner. Since multilevel flow modeling is based on the fundamental energy and mass conservation laws, the target system is decomposed into several mass, energy, and information structures, which serve as the basis for a DBN. The MDP consists of the processes of finding a solution for the Bellman equation, which can be derived from the conditional probability equations of the constructed DBN. System operators can capture stochastic system dynamics as multiple subsystem state transitions based on their physical relations and uncertainties coming from the component degradation process or random failures. We analyzed a simplified example system to illustrate finding an optimal operational policy with this approach.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

NETL Well Integrity Workshop: Identifying Well Integrity Research Needs for Subsurface Energy Infrastructure

Wells are a critical component of subsurface energy infrastructure. Ensuring the integrity of wells as engineered pathways for the safe extraction, injection, and storage of fluids in the subsurface is key to maximizing the effectiveness and resilience of that infrastructure. Addressing well integrity issues in a technically robust manner that promotes environmental sustainability and social equity is also an important focus of the United States (U.S.) Department of Energy’s (DOE) Office of Fossil Energy and Carbon Management. Industry best practices, regulatory standards, modern monitoring data acquisition and control systems, and decades of research and development have dramatically improved the performance and reliability of wells for hydrocarbon extraction and underground injection in the oil and gas industry. Yet, important innovation is required to improve and ensure well integrity performance in engineered geologic systems where operational environments (fluid composition, temperature, pressure, and/or stress conditions) and long functional life cycles of well systems present unique challenges. Additionally, work is needed to understand and manage the long-term integrity and risks associated with legacy wells—especially those located adjacent to and presenting hazards for new subsurface activity.

02 PETROLEUM↗
DOE OSTI2023

Phase 1: Duke Energy Zero Emission Resource Integration Study (ZERIS); Phase 2: Carbon-Free Resource Integration Study for Duke Energy (Final Report)

Phase 1: This statement of work makes up Phase 1 of a larger effort. During this Phase 1 effort, NREL will work with Duke Energy to analyze the impacts of integrating significant amounts of new solar power into the Duke Energy power system under a variety of different penetrations scenarios, with a maximum of ten (10) full scenarios examined. The existing fleet, particularly the nuclear generation, will be considered in the quantitative assessments and discussions. Duke Energy is looking to quantify how much solar generation its system can handle. NREL will work with Duke Energy to quantify solar potential, identify likely integration challenges and possible opportunities for wind, storage, demand side resources and other technologies. Phase 2: This Statement of Work consists of a follow-up effort (Phase 2) to a recently completed Phase 1 modeling effort. During Phase 2, NREL will work closely with Duke Energy to analyze the impacts of integrating significant amounts of variable generation resources (wind and solar) and storage into Duke Energy's system in the Carolinas. The existing fleet, particularly nuclear generation, will be considered in the quantitative assessment and discussions. This Statement of Work also includes an extension to Phase II of the Carbon-Free Resource Integration Study for Duke Energy. In this extension, NREL will work closely with Duke Energy to extend the production cost analysis developed in Phase II to 2018 weather and load data for Duke Energy's territory. This extension leverages the modeling tools and datasets developed as part of Phase II. The analysis will compare results from Phase II (using 2012 weather and load) with 2018 results to assess system operations with increased penetration of renewables and storage. Simplifying assumptions will be made for modeling Duke Energy's neighbors in the production cost model.

14 SOLAR ENERGY↗
DOE OSTI2021

Integration of proteomics and metabolomics into the Design, Build, Test, Learn cycle to improve 3-hydroxypropionic acid production in Aspergillus pseudoterreus

Biological engineering of microorganisms to produce value-added chemicals is a promising route to sustainable manufacturing. However, overproduction of metabolic intermediates at high titer, rate, and yield from inexpensive substrates is challenging in non-model systems where limited information is available regarding metabolic flux and its control in production conditions. Integrated multi-omic analyses of engineered strains offers an in-depth look at metabolites and proteins directly involved in growth and production of target and non-target bioproducts. Here we applied multi-omic analyses to overproduction of the polymer precursor 3-hydroxypropionic acid (3HP) in the filamentous fungus Aspergillus pseudoterreus. A synthetic pathway consisting of aspartate decarboxylase, beta-alanine pyruvate transaminase, and 3HP dehydrogenase was designed and built for A. pseudoterreus. Strains with single- and multi-copy integration events were isolated and multi-omics analysis consisting of intracellular and extracellular metabolomics and targeted and global proteomics was used to interrogate the strains in shake-flask and bioreactor conditions. Production of a variety of co-products (organic acids and glycerol) and oxidative degradation of 3HP were identified as metabolic pathways competing with 3HP production. Intracellular accumulation of nitrogen as 2,4-diaminobutanoate was identified as an off-target nitrogen sink that may also limit flux through the engineered 3HP pathway. Elimination of the high-expression oxidative 3HP degradation pathway by deletion of a putative malonate semialdehyde dehydrogenase improved the yield of 3HP by 3.4× after 10 days in shake-flask culture. This is the first report of 3HP production in a filamentous fungus amenable to industrial scale biomanufacturing of organic acids at high titer and low pH.

Pomraning, Kyle R.↗
NASA NTRS1973

Life sciences payload definition and integration study, task C and D. Volume 2: Payload definition, integration, and planning studies

The Life Sciences Payload Definition and Integration Study was composed of four major tasks. Tasks A and B, the laboratory definition phase, were the subject of prior NASA study. The laboratory definition phase included the establishment of research functions, equipment definitions, and conceptual baseline laboratory designs. These baseline laboratories were designated as Maxi-Nom, Mini-30, and Mini-7. The outputs of Tasks A and B were used by the NASA Life Sciences Payload Integration Team to establish guidelines for Tasks C and D, the laboratory integration phase of the study. A brief review of Tasks A and B is presented provide background continuity. The tasks C and D effort is the subject of this report. The Task C effort stressed the integration of the NASA selected laboratory designs with the shuttle sortie module. The Task D effort updated and developed costs that could be used by NASA for preliminary program planning.

Source record↗
NASA NTRS1988

The Environment for Application Software Integration and Execution (EASIE), version 1.0. Volume 2: Program integration guide

The Environment for Application Software Integration and Execution, EASIE, provides a methodology and a set of software utility programs to ease the task of coordinating engineering design and analysis codes. EASIE was designed to meet the needs of conceptual design engineers that face the task of integrating many stand-alone engineering analysis programs. Using EASIE, programs are integrated through a relational data base management system. In volume 2, the use of a SYSTEM LIBRARY PROCESSOR is used to construct a DATA DICTIONARY describing all relations defined in the data base, and a TEMPLATE LIBRARY. A TEMPLATE is a description of all subsets of relations (including conditional selection criteria and sorting specifications) to be accessed as input or output for a given application. Together, these form the SYSTEM LIBRARY which is used to automatically produce the data base schema, FORTRAN subroutines to retrieve/store data from/to the data base, and instructions to a generic REVIEWER program providing review/modification of data for a given template. Automation of these functions eliminates much of the tedious, error prone work required by the usual approach to data base integration.

Jones, Kennie H.↗