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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Predicting Low Toxicity and Scalable Solvent Systems for High–Speed Roll–to–Roll Perovskite Manufacturing

Printed lead-based perovskite photovoltaics (PV) have gained interest due to their potential to be manufactured with scalable roll-to-roll techniques. In industrial scale-up, toxicity of inks can constrain roll-to-roll manufacturing due to the added cost of managing toxic effluents. Due to solvent toxicity, few perovskite solution chemistries in published works are scalable to gigawatt production capacity at low cost. Herein, it is shown that for scalable PV production, the use of aprotic polar solvents should be avoided due to their overall toxicity. Compliance with worldwide worker safety regulations for solvent exposure limits could require additional air handling requirements for some solvents, which in turn would affect cost-effectiveness. It is shown that costs associated with handling of hazardous substances can be significant and estimate an added cost of ¢3.7/W for dimethylformamide (DMF)-based inks. To solve this problem, a new perovskite ink solvent system is developed that is composed entirely of ether and alcohol, which has an effective exposure limit 14× higher than DMF, making it suitable for industrial coating processes. Here, it is shown that the new ink solvent system is capable of fabricating high-efficiency perovskite solar cells processed in 1 min on a standard roll-to-roll system.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ice storage model-predictive control in an office building with PV: scenario, error and sensitivity analysis

Thermal energy storage (TES) can enable more building-sited renewable electricity generation and lower utility bill costs for buildings owners and occupants, especially when there are high demand and variable time-of-use (TOU) charges. A model predictive control (MPC) strategy can offer additional savings over a schedule-based control with added complexity and reliance on forecasts. Here, this study examines savings for medium office buildings with chiller plants in three locations with building-installed solar photovoltaics (PV) to understand the impact of MPC. Control setpoints are fixed by a schedule-based control or optimized by nonlinear MPC. These control setpoints are actuated within EnergyPlus building models to simulate the utility cost of the chiller plant. NLP solutions can be unstable or unrealistic, but our results show that by regularizing the NLP, the solutions can be reasonably followed by the building model. MPC models make simplifications that lead to errors once the controller is participating in and changing the operation of the building. These errors average 9 % across the cases, showing that the most important parts of the system are represented. The no-thermal load costs are computed to show that the optimization can in some cases achieve both the minimum TOU and minimum monthly demand costs by demand management while reducing TOU energy costs by energy arbitrage. The MPC saves 35–66 % in the annual chiller plant operating costs, which is an additional savings above the schedule by 1–33 %. PV and TES are complementary and mostly independent, but a load with PV often results in better performance for the schedule. Our case study and sensitivity analysis show the importance of modeling and optimization for complex rates, but also the circumstances wherein a simpler strategy achieves the same performance with less potential for error.

14 SOLAR ENERGY↗
NASA NTRS2022

Assurance Equations: A Cost and Criticality Model for Optimizing Quality Assurance Surveillance

The cost of quality vs cost of failure correction has been a long-running topic of discussion within the Aerospace community. It leads directly to concepts of “risk tolerance”, and risk-based decision-making. It would be valuable if there was a way to compute the optimal investment in customer-executed quality assurance activities using defect significance with respect to performance objectives, the activities’ defect detection effectiveness, and the cost-penalty for late discovery of impactful defects. This optimization is particularly of interest to projects whose budget constraints significantly limit their risk management options.The cost to fix defects (i.e., failure correction) escalates as the project matures. There have been studies attempting to determine the relative cost of fixing defects discovered during various phases of a project life cycle with important implications, all of which suggest growth factors are large. The commonly referred to 1:10:100 rule represents a cost multiplier for repair/rework across the Design to Fab to Test hardware development phases. Cost premiums for QA activities also accumulate when they are treated as mandatory (due to schedule drag) or are performed later than their assigned phase.This paper describes the modeling of development phase -dependencies in the conduct of typical customer-executed quality assurance activities. Our initial modeling encompasses:• Distinct phases of the production lifecycle• Multiple kinds of Defects, each with some a-priori likelihood of being present• Each defect’s impact on performance Objectives for a type of hardware• The cost and efficacy of assurance techniques at detecting such Defects• The costs of fixing those Defects detected in a given phase of the production lifecycleThe model captures assurance activities’ abilities to Detect defects. Upon detection it is assumed that the Defect is immediately fixed. Defects that “escape” detection by some activity may thereafter be detected by a later activity, but by then the cost of fixing the Defect may have escalated. Defects are related to the performance Objectives they would detract from, were those Defects to remain present in the operating system.We have constructed and are exploring, a model that relates the importance of hardware system elements to mission objectives, the impact of types of Defects on those hardware types, the cost of customer-executed assurance activities (i.e., supplier controls) and their effectiveness towards reducing an impactful quality escape, and the cost of Defect correction across production phase. We describe the approach taken to select the key model aspects, why they are relevant to our NASA mission, and our efforts to populate it with relevant and contemporary data. We use a notional example to illustrate model design and function.

Plante, Jeannette↗
NASA NTRS1993

An adaptive mesh-moving and refinement procedure for one-dimensional conservation laws

We examine the performance of an adaptive mesh-moving and /or local mesh refinement procedure for the finite difference solution of one-dimensional hyperbolic systems of conservation laws. Adaptive motion of a base mesh is designed to isolate spatially distinct phenomena, and recursive local refinement of the time step and cells of the stationary or moving base mesh is performed in regions where a refinement indicator exceeds a prescribed tolerance. These adaptive procedures are incorporated into a computer code that includes a MacCormack finite difference scheme wih Davis' artificial viscosity model and a discretization error estimate based on Richardson's extrapolation. Experiments are conducted on three problems in order to qualify the advantages of adaptive techniques relative to uniform mesh computations and the relative benefits of mesh moving and refinement. Key results indicate that local mesh refinement, with and without mesh moving, can provide reliable solutions at much lower computational cost than possible on uniform meshes; that mesh motion can be used to improve the results of uniform mesh solutions for a modest computational effort; that the cost of managing the tree data structure associated with refinement is small; and that a combination of mesh motion and refinement reliably produces solutions for the least cost per unit accuracy.

Biswas, Rupak↗
DOE OSTI2023

Cost optimization of low-salt-rejection reverse osmosis

Low-salt-rejection reverse osmosis (LSRRO) is an emerging membrane-based desalination technology for concentrating brines with potentially lower energy consumption and cost than thermally driven processes. We assess the technoeconomic performance of LSRRO by using an optimization model that minimizes the levelized cost of water (LCOW). We develop detailed models for the RO module and other equipment using WaterTAP (Water treatment Technoeconomic Assessment Platform), an open-source simulation and optimization software for water treatment. We improve upon previous LSRRO cost optimization studies by optimizing the salt permeability for each stage, which has significant implications for technoeconomic performance. We present the cost-optimal design, operation, and performance for three cases: 35 g/L TDS feed at 70% recovery, 70 g/L at 55%, and 125 g/L at 35%. The cost-optimal LCOW and specific energy consumption (SEC) for these cases are 0.70, 1.89, and 7.41 $/m 3 and 3.9, 8.4, and 30.4 kWh/m 3 , respectively. For each case, we use sensitivity analyses to provide guidance on key factors that impact economic viability. We also present the cost-optimal LCOW and SEC for feed concentrations between 5 and 220 g/L TDS and recoveries between 30 and 90%. So, we compare LSRRO to other high-salinity desalination technologies and find that it may be cost-competitive below feed concentrations of 125 g/L.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Joint optimization of electric bus charging infrastructure, vehicle scheduling, and charging management

High upfront costs of vehicles and charging infrastructure as well as the lack of knowledge related to infrastructure planning and electric bus system operation are major obstacles to the implementation of battery electric buses (BEBs). To tackle the obstacles and promote BEB adoption, a comprehensive optimization framework was developed to address the combined charging infrastructure planning, vehicle scheduling, and charging management problem for BEB systems, with the goal to minimize the total cost of ownership. The problem was formulated as a mixed-integer non-linear problem. A genetic algorithm-based approach was then proposed to solve the problem. Last, three alternative scenarios based on a sub-transit network in Salt Lake City, Utah, were analyzed and compared with the optimal scenario results in the numerical experiments. Our comparison results demonstrate the effectiveness of the proposed model and solution algorithm in determining a cost-efficient planning strategy for BEB systems.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Analyzing the Performance Trade-Off in Implementing User-Level Threads

User-level threads have been widely adopted as a means of achieving lightweight concurrent execution without the costs of OS-level threads. Nevertheless, the costs of managing user-level threads represent a performance barrier that dictates how fine grained the concurrency exposed by an application can be without incurring significant overheads; this in turn may translate into insufficient parallelism to exploit highly parallel systems. This article is a deep dive into the fundamental costs in implementing user-level threads. We first identify that one of the highest sources of fork-join overheads stems from deviations, events that incur context switching during the execution of a thread and disrupt a run-to-completion execution. We then conduct an in-depth investigation of a wide spectrum of methods with respect to how they handle deviations while covering both parent- and child-first scheduling policies. Our methodology involves a comprehensive instruction- and cache-level analysis of all methods on several modern CPU architectures. Finally, the primary finding of our evaluation is that dynamic promotion methods that assume the absence of deviation and dynamically provide context-switching support offer the best trade-off between performance and capability when the likelihood of deviation is low.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Staffing Analyses Tool

The Staffing Analyses Tool is an interactive resource planning tool used for visualizing programmatic staffing financial information. This dashboard provides historical and current staff charging data under organizations’ and/or programs’ views. This tool is used to manage staffing cost and inform outyear planning. It was developed in collaboration with Associate Laboratory Directorate for Infrastructure and Capital Projects (ALDICP) Planning Office.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS1996

Achieving cost reductions in EOSDIS operations through technology evolution

The earth observing system (EOS) data information system (EOSDIS) mission includes the cost-effective management and distribution of large amounts of data to the earth science community. The effect of the introduction of new information system technologies on the evolution of EOSDIS is considered. One of the steps taken by NASA to enable the introduction of new information system technologies into the EOSDIS is the funding of technology development through prototyping. Recent and ongoing prototyping efforts and their potential impact on the performance and cost-effectiveness of the EOSDIS are discussed. The technology evolution process as it related to the effective operation of EOSDIS is described, and methods are identified for the support of the transfer of relevant technology to EOSDIS components.

Newsome, Penny↗
NASA NTRS1990

Systems Engineering and Integration (SE and I)

The issue of technology advancement and future space transportation vehicles is addressed. The challenge is to develop systems which can be evolved and improved in small incremental steps where each increment reduces present cost, improves, reliability, or does neither but sets the stage for a second incremental upgrade that does. Future requirements are interface standards for commercial off the shelf products to aid in the development of integrated facilities; enhanced automated code generation system slightly coupled to specification and design documentation; modeling tools that support data flow analysis; and shared project data bases consisting of technical characteristics cast information, measurement parameters, and reusable software programs. Topics addressed include: advanced avionics development strategy; risk analysis and management; tool quality management; low cost avionics; cost estimation and benefits; computer aided software engineering; computer systems and software safety; system testability; and advanced avionics laboratories - and rapid prototyping. This presentation is represented by viewgraphs only.

Chevers, ED↗
NASA NTRS2016

Low Cost Entry, Descent, and Landing (EDL) Instrumentation for Planetary Missions

Missions that involve traversing through a planetary atmosphere are unique opportunities that require elements of entry, descent, and landing (EDL). Many aspects of the EDL sequence are qualified using analysis and simulation due to the inability to conduct appropriate ground tests, however validating flight data are often lacking, especially for missions not involving Earth re-entry. NASA has made strategic decisions to collect EDL flight data in order to improve future mission designs. For example, MEDLI1 and EFT-1 gathered hypersonic pressure and in-depth temperature data in the thermal protection system (TPS). However, the ability to collect EDL flight data from the smaller competed missions, such as Discovery and New Frontiers, has been limited in part due to the Principal Investigator-managed cost-caps (PIMCC). The recent NASA decision to consider EDL instrumentation earlier in the mission design cycle led to the inclusion of a requirement in the Discovery 2014 Announcement of Opportunity which requires all missions that involve EDL to include an Engineering Science Investigation (ESI).2 The ESI would involve sensors for aerothermal environment and TPS; atmosphere, aerodynamics, and flight dynamics; atmospheric decelerator; and/or vehicle structure.3 The ESI activity would be funded outside of the PIMCC.

and Landing↗
DOE OSTI2023

Electric Vehicle Lithium-Ion Battery Life Cycle Management

There is no question that electric vehicles (EVs), which are key for addressing climate change impacts from the transportation sector, are quickly gaining popularity and availability. With limits and other challenges related to the supply of critical battery minerals, maximizing the use of EV batteries and ensuring recovery of battery minerals is imperative. Therefore, proper end-of-life-cycle management (reuse and recycling) of these batteries must be part of the EV ecosystem from the perspective of both the supply chain and environmental footprint. Second use of batteries for energy storage systems extends the initial life of these resources and provides a buffer until economical material recovery facilities are in place. Although there are multiple pathways to recycling and recovery of materials, new recovery technologies are moving toward commercially available hydrometallurgy and promising direct recycling, which analysis has shown has the lowest overall carbon footprint. Strategically locating these plants close to battery collection further reduces transportation and thus recycling and recovering costs. Proper life cycle management could alleviate future lithium-ion battery materials supply chains for EVs. Governments and other stakeholders around the world have started initiatives and proposed regulations to address the challenges associated with life cycle management of EV lithium batteries. Finally, as manufacturers are increasingly faced with the likelihood of such extensive regulatory requirements, attention should be given to new designs, sales, and service models that can reduce life cycle management costs.

25 ENERGY STORAGE↗
DOE OSTI2024

Bayesian batch optimization for molybdenum versus tungsten inertial confinement fusion double shell target design

Access to reliable, clean energy sources is a major concern for national security. Much research is focused on the “grand challenge” of producing energy via controlled fusion reactions in a laboratory setting. For fusion experiments, specifically inertial confinement fusion (ICF), to produce sufficient energy, the fusion reactions in the ICF fuel need to become self-sustaining and burn deuterium-tritium (DT) fuel efficiently. The recent record-breaking NIF ignition shot was able to achieve this goal as well as produce more energy than used to drive the experiment. This achievement brings self-sustaining fusion-based power systems closer than ever before, capable of providing humans with access to secure, renewable energy. In order to further progress toward the actualization of such power systems, more ICF experiments need to be conducted at large laser facilities such as the United States's National Ignition Facility (NIF) or France's Laser Mega-Joule. The high cost per shot and limited number of shots that are possible per year make it prohibitive to perform large numbers of experiments. As such, experimental design relies heavily on complex predictive physics simulations for high-fidelity “preshot” analysis. These multidimensional, multi-physics, high-fidelity simulations have to account for a variety of input parameters as well as modeling the extreme conditions (pressures and densities) present at ignition. Such simulations (especially in 3D) can become computationally prohibitive to turn around for each ICF experiment. In this work, we explore using Bayesian optimization with Gaussian processes (GPs) to find optimal designs for ICF double shell targets, while keeping computational costs to manageable levels. These double shell targets have an inner shell that grades from beryllium on the outer surface to the higher Z material molybdenum, as opposed to the nominally used tungsten, on the inside in order to trade off between the high performance associated with high density inner shells and capsule stability. We describe our results for “capsule-only” xRAGE simulations to study the physics between different capsule designs, inner shell materials, and potential for future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A critical review of cyber-physical security for building automation systems

Modern Building Automation Systems (BASs), as the brain that enable the smartness of a smart building, often require increased connectivity both among system components as well as with outside entities, such as the cloud, to enable low-cost remote management, optimized automation via outsourced cloud analytics, and increased building-grid integrations. As smart buildings move towards open communication technologies, providing access to BASs through the building's intranet, or even remotely through the Internet, has become a common practice. However, increased connectivity and accessibility come with increased cyber security threats. BASs were historically developed as closed environments with limited cyber-security considerations. As a result, BASs in many buildings are vulnerable to cyber-attacks that may cause adverse consequences, such as occupant discomfort, excessive energy usage, and unexpected equipment downtime. Therefore, there is a strong need to advance the state-of-the-art in cyber-physical security for BASs and provide practical solutions for attack mitigation in buildings. However, an inclusive and systematic review of BAS vulnerabilities, potential cyber-attacks with impact assessment, detection & defense approaches, and cyber resilient control strategies is currently lacking in the literature. This review paper fills the gap by providing a comprehensive up-to-date review of cyber-physical security for BASs at three levels in commercial buildings: management level, automation level, and field level. The general BASs vulnerabilities and protocol-specific vulnerabilities for the four dominant BAS protocols (i.e., BACnet, KNX, LonWorks, and Modbus) are reviewed, followed by a discussion on four attack targets and seven potential attack scenarios. Furthermore, the impact of cyber-attacks on BASs is summarized as signal corruption, signal delaying, and signal blocking. The typical cyber-attack detection and defense approaches are identified at the three levels. Cyber resilient control strategies for BASs under attack are categorized into passive and active resilient control schemes. Open challenges and future opportunities are finally discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO 2 Cluster from Embedded Multiconfigurational Excited-State Theory

Understanding optical properties of the dye molecule in dye-sensitized solar cells (DSSCs) from first-principles quantum mechanics can contribute to improving the efficiency of such devices. While density functional theory (DFT) and time-dependent DFT have been pivotal in simulating optoelectronic properties of photoanodes used in DSSCs at the atomic scale, questions remain regarding DFT’s adequacy and accuracy to furnish critical information needed to understand the various excited-state processes involved. In this work, we simulate the absorption spectra of a dye-sensitized solar cell analogue, comprised of a Ru-bipyridine (Ru-bpy) dye molecule and a small TiO2 cluster via DFT and via an accurate embedded correlated wavefunction (CW) theory. We generated CW spectra for the adsorbed Ru-bpy dye via a recently introduced capped density functional embedding theory or capped-DFET (to generate the embedding potential that accounts for the interaction of the molecule and the TiO 2 cluster). We then combined capped-DFET with the accurate but expensive multiconfigurational complete active space second-order perturbation theory (CASPT2)—embedded CASPT2. Because the CW theory is conducted on only a portion of the total system in the presence of an embedding potential that describes that portion’s interaction with its environment, we efficiently obtain CW-quality predictions that reflect local properties of the entire system. Specifically, for example, with capped-DFET and embedded CW theory, we can simulate accurately a plethora of metal-to-ligand charge-transfer excited properties at a manageable computational cost. Here, we predict detailed electronic spectra within the visible region, featuring the lowest three singlet and triplet excited states, along with predictions of the singlets’ lifetimes. We illustrated these results using a Jablonski diagram that show the relative energy position of the singlet and longer-lived triplet excited states and analyzed and proposed relaxation paths for the excited state corresponding to the most intense but short-lived absorption (interconversion, intersystem crossing, fluorescence, and phosphorescence) that may lead to longer-lived excited states necessary for efficient charge separation required to generate current in solar cells.

14 SOLAR ENERGY↗
DOE OSTI2021

Quantitative Proteomics and Quantitative PCR as Predictors of cis -1,2-Dichlorethene and Vinyl Chloride Reductive Dechlorination Rates in Bioaugmented Aquifer Microcosms

Quantitative measurement of process-specific biomarker genes of Dehalococcoides mccartyi (Dhc) supports monitoring at chlorinated ethene contaminated sites. In this study, we varied Dhc cell abundances from ~103 to 108 cells/mL in aquifer microcosms and correlated the corresponding reductive dehalogenase (RDase) gene and RDase protein abundances with measured reductive dechlorination (RD) rates of cis-1,2-dichloroethene (cDCE) and vinyl chloride (VC). An additional set of microcosms tested the RD rate-predictive power of the regression analyses. These efforts revealed (1) that targeted proteomics quantifies Dhc biomarker proteins (e.g., TceA and VcrA, OmeA) over a relevant range of Dhc cell densities, and (2) that protein and gene abundances can predict RD rates. Protein detection limits translated to a rate coefficient of 10 –4 day –1 (0.04 year –1 ) for both k cDCE and k vc , which is within the range observed at sites undergoing monitored natural attenuation (MNA) (i.e., without the implementation of enhanced bioremediation treatment). Rates predicted using a combination of quantitative biomarker gene and protein measurements generally resulted in the best match with experimentally determined rate constants. These new findings provide evidence that quantitative biomarker measurements may be useful predictors of in situ RD rates, which would constitute a major advance for the cost-effective management of contaminated sites.

42 ENGINEERING↗
DOE OSTI2022

Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.

36 MATERIALS SCIENCE↗