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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A signal compensation based cascaded PI control for an industrial heat exchange system

Since the characteristics of the industrial heat exchange system (HES) are drastically affected by variations of the steam pressure, ambient temperature and water quality, it is difficult for the classical cascade PI control system to meet the desirable control objectives. Therefore, in this paper, a deterministic linear model with unmodeled dynamics is used to describe the dynamic characteristics of the HES. It should be noted that the unmodeled dynamics at the previously sampled instant can be calculated using actual measurements and that the tracking error, which includes effects of the rate of changes of unmodeled dynamics on the controlled model, can be accurately determined. An additional compensating signal is obtained with the feedforward control together with a one-step optimal control law. Consequently, the cascade PI control strategy with the signal compensation is established. Furthermore, the simulation and industrial application show that the proposed method can effectively improve the performance of the cascade PI control system, especially when the unmodeled dynamics is subjected to unknown variations.

42 ENGINEERING↗
DOE OSTI2025

Linking groundwater variability to ecosystem carbon and water use efficiencies across India

Carbon use efficiency (CUE) and water use efficiency (WUE) are important indicators of ecosystem health, reflecting the balance between carbon uptake and allocation, and the relationship between carbon assimilation and water loss. Although India shows large spatiotemporal variation in water table depth (WTD), and increasing groundwater stress, the influence of WTD on ecosystem functioning remains underexplored. This study uses satellite-based, modeled, and in-situ datasets to (1) quantify variations in CUE and WUE under shallow (SWTD) and deep (DWTD) WTD conditions across six homogeneous meteorological regions (HMRs), (2) evaluate temporal roles of gross primary productivity (GPP), net primary productivity (NPP), and evapotranspiration (ET) in driving these efficiencies, and (3) examine temporal responses to WTD shifts. SWTD regions generally showed 12 to 18 % higher GPP, 10 to 15 % higher NPP, and 10 to 20 % higher ET than DWTD zones, especially in semi-arid croplands and forests, leading to 8 to 12 % higher CUE and WUE. However, in humid and heavily irrigated regions such as northeastern and hilly India, CUE was up to 10 % higher in DWTD zones, possibly due to reduced respiration and better soil aeration compared to SWTD areas affected by waterlogging. During the Kharif (wet) season, DWTD croplands in humid zones had higher efficiencies, while in the Rabi (dry) season, SWTD croplands in northern India benefited from irrigation and cooler temperatures. These results highlight strong influence of WTD on carbon and water use processes and support the need for region-specific groundwater strategies.

Carbon use efficiency↗
DOE OSTI2020

A new phenomenological model to describe root-soil interactions based on percolation theory

In his paper on net primary productivity of terrestrial communities predicted from climatological data, Rosenzweig (1968) argued that variability in productivity is well accounted for by (evapo)-transpiration, and that water from transpiration is, on global scales, the most variable component in the photosynthesis reaction. The goal of this paper is to investigate whether variability in plant growth on local scales and within species is primarily related to transpiration under several scenarios including different terrain curvature, slope aspect, soil characteristics, and climate ranges. Here, we test the hypothesis that this relationship exists because root growth into the surface soil layers (0–2 m) tends to follow paths with minima in resistance, which in turn maximizes water flow and nutrient delivery rates that regulate growth. The set of all connected paths with individual pore-to-pore flow resistances less than a critical, percolating, value forms a cluster with mass fractal dimensionality, d f . We propose that roots follow paths through the 2D percolation cluster, defining the set of all optimal flow paths, making the 2D value of d f from percolation relevant to root fractal dimensionality. The tortuosity of such optimal paths as defined in percolation theory should then relate root length to root radial extent, linking the parameters of root tortuosity and plant productivity. Our analysis of large data sets across species implies that root radial extent and tree height are both proportional to cumulative transpiration until trees approached maximum height, and their growth rates are proportional to the transpiration rate, not to the moisture content. Local variations in tree height as functions of the variables investigated appear generally consistent with deduced variations in transpiration. Here this correlation is investigated more closely in the context of studies addressing individual tree species.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals

As an essential enzyme of SARS-CoV-2, the COVID-19 pathogen, main protease (M Pro ) is a viable target to develop antivirals for the treatment of COVID-19. By varying chemical compositions at both P2 and P3 positions and the N-terminal protection group, we synthesized 18 tripeptidyl M Pro inhibitors that contained also an aldehyde warhead and β-(S-2-oxopyrrolidin-3-yl)-alaninal at the P1 position. Systematic characterizations of these inhibitors were conducted, including their in vitro enzymatic inhibition potency, X-ray crystal structures of their complexes with M Pro , their inhibition of M Pro transiently expressed in 293T cells, and cellular toxicity and SARS-CoV-2 antiviral potency of selected inhibitors. These inhibitors have a large variation of determined in vitro enzymatic inhibition IC 50 values that range from 4.8 to 650 nM. Here, the determined in vitro enzymatic inhibition IC 50 values reveal that relatively small side chains at both P2 and P3 positions are favorable for achieving high in vitro M Pro inhibition potency, the P3 position is tolerable toward unnatural amino acids with two alkyl substituents on the α-carbon, and the inhibition potency is sensitive toward the N-terminal protection group. X-ray crystal structures of M Pro bound with 16 inhibitors were determined. In all structures, the M Pro active site cysteine interacts covalently with the aldehyde warhead of the bound inhibitor to form a hemithioacetal that takes an S configuration. For all inhibitors, election density around the N-terminal protection group is weak indicating possible flexible binding of this group to M Pro . In M Pro , large structural variations were observed on residues N142 and Q189. Unlike their high in vitro enzymatic inhibition potency, most inhibitors showed low potency to inhibit M Pro that was transiently expressed in 293T cells. Inhibitors that showed high potency to inhibit M Pro transiently expressed in 293T cells all contain O-tert-butyl-threonine at the P3 position. These inhibitors also exhibited relatively low cytotoxicity and high antiviral potency. Overall, our current and previous studies indicate that O-tert-butyl-threonine at the P3 site is a key component to achieve high cellular and antiviral potency for tripeptidyl aldehyde inhibitors of M Pro .

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Probing individual single atom electrocatalyst sites by advanced analytical scanning transmission electron microscopy

Single atom electrocatalysts (SAEs) are promising next-generation materials for promoting a variety of important reactions, such as the oxygen reduction, nitrogen reduction, and CO 2 reduction reactions. While bulk characterization techniques such as X-ray absorption spectroscopy and Mössbauer spectroscopy have significantly enhanced our understanding of these catalysts, direct probing of individual single metal atom sites at the atomic scale is necessary to understand local variations in the properties of these sites and accelerate design and synthesis of improved SAEs. Aberration-corrected scanning transmission electron microscopy (STEM) has become a powerful tool for providing this type of atomic-scale information about SAE metal sites. These sites are typically unstable under the electron beam, however, which, in combination with conventional acquisition methods and detectors, has limited the type and quantity of information obtainable by spectroscopic STEM techniques. Here, we map multiple individual SAE metal sites in a nitrogen-doped carbon containing atomically dispersed Fe and Re (FeReNC) at the atomic scale by direct electron detection electron energy-loss spectroscopy (EELS). Direct electron detection provides an improved signal-to-noise ratio over conventional scintillator-based detectors and enables detection and real space localization of weak signals. In addition, we demonstrate an automated method for identification of metal atom positions, placement of the probe on these sites, and simultaneous EELS and energy dispersive X-ray spectroscopic (EDS) signal acquisition. This simultaneous acquisition of EELS and EDS provides access to the composition and bonding of a wide range of SAE metal sites. In this study, focusing the probe directly on the metal sites also increases the relevant data acquisition rate by more than an order of magnitude over two-dimensional mapping, enabling improved statistical measurements of site properties. The versatility, sensitivity, and speed that these techniques provide enhances our ability to probe the local elemental and chemical environment of a large number of individual SAE metal site structures at the atomic scale, enabling an improved understanding of the variations in the local properties of these electrocatalysts to be gained. As a result, significantly increased information about individual metal sites will be available to future electrochemical studies through these techniques, accelerating the development of advanced SAEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Robustness of energy performance of Zero-Net-Energy (ZNE) homes

Zero-net-energy (ZNE) homes produce an adequate amount of energy on-site to meet their energy demand based on source energy for an entire year. California building energy efficiency standards require new residential buildings started in 2020 to be ZNE. For various reasons, a home designed as ZNE may not achieve ZNE performance in real operation. Here we aimed to quantify the robustness of the energy performance of ZNE homes due to weather variability, climate change, and the uncertainty of occupant behavior. A single-family ZNE house, based on the optimal cost-effective design in three California climate zones, was used to develop the EnergyPlus simulation models. Weather variations were considered from a combination of the historical 30 years’ actual meteorological year (AMY) weather data, typical year weather data in TMY3, and future weather data based on Intergovernmental Panel on Climate Change scenarios. Three scenarios of occupant behavior from the energy perspective were defined to represent the uncertainty about occupants’ activities, comfort requirements, and their adaptive interactions with buildings and systems. In terms of annual source energy, the simulation results of the ZNE homes showed: (1) a decrease of 23–38 percent for occupants with energy austerity behavior and an increase of 120–130 percent for occupants with energy wasteful behavior, compared with the baseline assumption of normal occupants; (2) a variation range of –15 percent to +14 percent for the results using 30-year AMY weather data compared with the baseline results using TMY3 weather data; (3) an increase of 10–13 percent with future weather in Fresno and Riverside and a decrease of 15 percent with San Francisco; and (4) climate change can reduce the gap between the austerity and wasteful consumption. These findings provide insights into how ZNE homes may perform in reality and inform architects, engineers, occupants, and policymakers to pay more attention to occupant behavior on design, operation, and regulations of ZNE homes to ensure energy performance robustness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

The impact of behavioral and geographic heterogeneity on residential-sector carbon abatement costs

Analyses of monetary and emissions savings from residential efficiency upgrades usually neglect behavioral differences between consumers. Variations in behavior are frequently large: 13% of the U.S. population sets thermostats for cooling at 20 °C (68 °F) or lower and 15% at 25.5 °C (78 °F) or higher. Efficiency analyses should account for behavioral heterogeneity as well as variations in climate and housing characteristics. We model energy and economic savings of efficiency upgrades for U.S. single-family detached houses, accounting for differences in thermostat settings, climate zone, fuel prices, and home characteristics. We consider five efficiency interventions: wall insulation, attic insulation, air sealing, high-efficiency furnaces, and high-efficiency air conditioners. Energy and economic savings vary widely by consumer; the average net present value for wall insulation is $3,020 United States Dollar (USD), but considering heterogeneity, it has a 10th percentile value of -$231 and 90th percentile value of $5,000. Neglecting heterogeneity, technology upgrades can be prioritized from lower to higher carbon abatement costs: air conditioners, wall insulation, furnace, air sealing, and attic insulation. Accounting for heterogeneity reorders this prioritization, and consumer-specific conditions affect mitigation costs such that technologies are mixed in with one another and are no longer arranged one after another. These results indicate that interventions to improve efficiency should consider differences between consumers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Cluster analysis of occupancy schedules in residential buildings in the United States

The energy performance of residential buildings significantly depends on the building occupants’ behavior, which can be highly variable. When the heating, ventilation and air conditioning (HVAC) system is controlled based on the presence or absence of occupants in a building, occupant behavior is of even further importance to its energy performance. In current practice, building energy simulation tools generally use a single occupancy profile to represent the building’s occupancy schedule, the schedule of which is considered to be the same, regardless of the type of household being modeled. Thus, there is significant potential for improvement to allow for more flexibility and accuracy in calculation of occupancy. The objective of this study is to assess the variations in the typical types of occupancy schedules followed by the U.S. population using cluster analysis. American Time Use Survey data, which statically represents the overall U.S. population’s activities, across 12 years (2006–2017), is used. The ATUS data is segregated into smaller groups based on age and weekday/weekend, then divided into activities that are considered “at home” and “away from home”, which are mapped to the presence or non-presence of occupants in the home. Cluster analysis is then used to identify common types of occupancy schedule patterns for each age group. Three main types of patterns are obtained from cluster analysis for each age group, which together represent approximately 88% of people in the United States. The output of the cluster analysis is further analyzed to evaluate the variation in characteristics, including the number of times leaving home, time of day when leaving the home, and the timespan of absence from the home. The results of this study provide detailed insights on how typical occupants in the United States spend their time in residential spaces which can be used to create occupancy profiles for residential buildings. Finally, these occupancy profiles could be utilized inform an assessment of the energy use impact of occupancy-based controls of energy consuming systems and technologies.

42 ENGINEERING↗
DOE OSTI2021

Prevalence of typical operational problems and energy savings opportunities in U.S. commercial buildings

In the United States, as much as 30% of the 19 EJ that commercial buildings consume is considered excess. Much of the excess energy is due to the inability to manage building operations efficiently. Because almost 20% of the total primary energy consumption is associated with commercial buildings, significant energy reductions in this sector are needed to mitigate climate change. Therefore, many cities and states are mandating periodic “tune-ups” of these buildings to eliminate excess energy consumption. Although the benefits of tune-ups and retro-commissioning are clear, focusing these mandates to look for specific opportunities has been a challenge because of the lack of studies that document the prevalence of opportunities. Therefore, we analyzed building automation system data from 151 buildings across the United States to document common operational problems and opportunities to improve building operations. This analysis showed that opportunities to improve building operations exist in almost every building. These opportunities were not strongly correlated with building vintage or size, but were reflective of how the buildings are operated. The prevalence of the top 20 opportunities ranged between 74% and 23%, with 40% of these associated with air-handling units. The rest of the opportunities are associated with schedules, chilled and hot-water distribution, and zone controls. Of the 151 buildings, 69 of them implemented corrective actions of some or all opportunities that were identified. Implementation varied across the Re-tuning categories, with 60% for schedule opportunities, 50% for zone opportunities, over 40% for the air-handling unit and hot-water opportunities, and 35% of the chilled-water opportunities. There was wide variation in whole building energy savings, ranging from 0 to 50% and 0 to 18 $/m2 with median percent annual whole building savings of 12% and median normalized annual cost savings of $1.75/m2. In addition to documenting these key findings, the paper provides a list of opportunities that can be automatically and continuously identified and corrected and offers a list of those opportunities that should be the focus of the mandates.

Katipamula, Srinivas↗
DOE OSTI2026

Surrogate model evaluation and building energy benchmarking for commercial buildings

Building energy consumption benchmarking involves challenges associated with various energy patterns for different building types; heating, ventilating, and air-conditioning (HVAC) system types; and climates. Given significant variation in energy use patterns, accurate prediction of long-term energy use using surrogate models remains challenging. Multiple linear regression (MLR) is commonly used for building energy benchmarking because of its simple structure; however, it lacks accuracy compared to other black-box models. Although many studies have compared surrogate models and offer guidance on model selection based on metrics, they do not provide detailed analysis on improving the surrogate model accuracy. In this paper, we implement a surrogate model using polynomial ridge regression (i.e., MLR with interaction terms combined with ridge regularization) for small office and retail strip mall buildings across six HVAC system types and all climate zones, for electricity and natural gas in baseline and proposed scenarios. A simulation workflow is developed using OpenStudio TM /EnergyPlus TM to generate simulation data using measures over a wide range of efficiency inputs. Enhancements based on statistical insights are used for improving the model accuracy using filters, input transformations, and change points. Surrogate models achieved average coefficient of variation of the root mean squared error (CVRMSE) values of 2.17, 1.06, 2.05, and 3.26 for proposed electricity, proposed natural gas, baseline electricity, and baseline natural gas, respectively, with enhancements reducing CVRMSE by an average of 14.9% across all combinations. We provide model interpretation via Shapley additive explanations to determine which input variables most influence energy consumption and provide supportive arguments for enhancements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Interactions of Wind Energy Project Siting, Wind Resource Potential, and the Evolution of the U.S. Power System

The interactions of wind energy project siting, resource potential, and power system evolution are critical to understand given interest in high renewable energy systems, particularly as wind costs have fallen and grid operators implement solutions to manage variable generation. This study applies an integrative approach that combines spatially-explicit resource potential analysis with high spatial resolution U.S. electricity system modeling. Multiple wind supply curves, representing variations in siting regimes that account for interactions with built infrastructure, regulatory, physical, and social land use factors, are evaluated to determine how siting could influence prospective wind development. Different siting regimes lead to variations in future wind capacity, with the greatest impacts observed under scenarios with high demand for clean energy. With the tightest emissions limit modeled, 2050 onshore wind capacity varied by +7% (49 GW) in the least-restrictive siting regime to a decrease of 37% (270 GW) under the most-constrained case. More-stringent siting restrictions lead to higher electricity prices and emissions that should be weighed with local impacts. Under restrictive siting regimes, wind deployment is also sensitive to transmission availability and wind plant design. Overall, the findings highlight the importance of local land use considerations in regional and national power system planning.

17 WIND ENERGY↗
DOE OSTI2023

Development of a health monitoring framework: Application to a supercritical pulverized coal-fired boiler

In this study, this work details the development of a physics-based equipment health monitoring framework for a supercritical boiler, using first-principles models to estimate the remaining useful life (RUL) of its components. The framework accounts for fatigue and creep life consumption, generating spatio-temporal variations in mechanical and thermal stress. Analysis of the stress profile throughout the boiler highlights the finishing superheater inlet steam header as a vulnerable location susceptible to damage from cycling operation. The framework also yields quantified uncertainty in the RUL projection for specific locations, accounting for uncertainties in material properties and boiler operation. Results indicate that operational uncertainties (e.g., seasonal variation and operational strategy) and material properties (e.g., rupture time coefficients, Young’s modulus, yield strength, and coefficient of thermal expansion) significantly impact the RUL of the finishing superheater inlet steam header. Additionally, case studies demonstrate the use of the health monitoring framework as a predictive tool for operational planning under uncertainty, including scenarios with and without updates on the operation of the boiler.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Effects of secondary void-initiating particles on the steady-state crack growth resistance of high-strength steel

In this investigation, we focus on the dependence of stable crack growth resistance, as measured by the short-rod fracture toughness test, on secondary void-initiating particles such as AlN and Ti-based grain-refining precipitates in a variety of high-strength steels with tempered martensitic microstructures. The model developed by Ritchie and Thompson is modified to illustrate the significant amounts of toughening that can result from the refinement of secondary particles. Analysis of the data suggests that material strength is a predominant factor in increasing the short-rod fracture toughness relative to linear-elastic measures of initiation fracture toughness, but the extent of toughening is limited by the size and number density of secondary particles in the microstructure. The variation in estimates of secondary microvoid initiation and growth strains with precipitate size reinforce the notion that primary fracture at non-metallic inclusions and secondary fracture at smaller particles occur as sequential processes with a degree of concurrence that is dependent on the state of precipitation in both particle dispersions. Toughening in this connection is maximized by increases in microvoid growth strain that result from decreases in the size and areal number density of secondary void-initiating particles. Finally, the occurrence of transient instabilities during crack extension in short-rod specimens is explained with a phenomenological model that relates crack growth stability to natural variations in the dispersion of secondary void-initiating particles in the microstructure.

42 ENGINEERING↗
DOE OSTI2020

Patience is a virtue: A data-driven analysis of rooftop solar PV permitting timelines in the United States

© 2020 The Authors Local permitting can ensure the safe installation and operation of rooftop solar photovoltaic (PV) systems. At the same time, burdensome local permitting processes and local variation in requirements may pose challenges to PV deployment. In this article, we explore new data on the durations between key steps in the PV permitting process in the United States. The data suggest that a typical customer can expect to wait around 25–100 days from permit application until an installed system passes inspection. Permit durations vary significantly across jurisdictions, due in part to differences in local permitting policies. However, permit durations vary as significantly within jurisdictions as across them, in part due to significant variation across installers, suggesting that installer strategies and practices play an important role in permitting timelines. Permit durations have declined over time, reflecting progress from permit streamlining policies and jurisdiction learning-by-doing, though durations have stabilized in recent years. The data suggest that typical PV customers still face long and uncertain permitting timelines in the United States.

O'Shaughnessy, E↗
DOE OSTI2020

A numerical examination of the effect of sulfide dissolution on silicate weathering

Silicate weathering regulates climate on geological time scales as a net, climate-sensitive sink of atmospheric CO 2 . On the other hand, sulfuric acid produced through sulfide dissolution affects silicate weathering, diminishing its effectiveness as a climate regulator based on evidence from river chemistry. This study takes a theoretical approach to quantitatively examine the effect of sulfide dissolution, coupling a one-dimensional model of pyrite weathering to that of albite transformation to kaolinite. The coupled model reveals that when the reaction front of sulfide is deeper than that of silicates reacting with CO 2 , the silicate-weathering feedback on climate is not directly affected by sulfide dissolution, but only indirectly through oceanic processes such as reverse weathering and carbonate deposition. In turn, when sulfide dissolution occurs within zones of CO 2 -silicate reactions close to the surface, the feedback between climate and silicate weathering can be significantly weakened because sulfuric acid competes effectively with carbonic acid in mineral dissolution. As the depth of the sulfide reaction front can be changed by variations in water table depth, the latter feedback weakening could have occurred in concert with climate-change-driven water table fluctuations, amplifying atmospheric CO 2 variations during the Phanerozoic.

58 GEOSCIENCES↗
DOE OSTI2020

Onset of magma ocean solidification on Mars inferred from Mn-Cr chronometry

The mantle of Mars probably differentiated through the crystallization of a magma ocean during the first tens of million years (Ma) of Solar System evolution. However, the exact timescale of large-scale silicate differentiation of the martian mantle is debated, and in particular, it remains unclear when differentiation commenced. In this paper, we applied the short-lived 53 Mn- 53 Cr system to martian meteorites in order to date the onset of large-scale mantle differentiation on Mars. The new Cr isotope data demonstrate that martian meteorites exhibit no resolvable radiogenic 53 Cr variations, and instead have a uniform +20.2±1.2 (95% conf.) parts-per-million excess in 53 Cr/ 52 Cr relative to the terrestrial mantle. The investigated groups of martian meteorites are lithologically varied and derive from diverse mantle sources that probably had variable Mn/Cr. Hence, the lack of 53 Cr variability among martian meteorites demonstrates that silicate differentiation on Mars occurred after the extinction of 53 Mn. Provided that the sources of the martian meteorites have Mn/Cr variations that are typical of the terrestrial planets, this result implies that the onset of large-scale silicate differentiation must have occurred later than 20±5 Ma after Solar System formation. The onset of silicate differentiation on Mars inferred here is significantly later than time estimates for segregation of the martian core which conservatively occurred within <10 Ma after Solar System formation. Thus, the new Mn-Cr data imply that there was a small, but resolvable, time gap of at least 5 Ma between core formation and magma ocean solidification on Mars. If the age of core segregation is taken at face value, our results imply that the martian magma ocean remained mostly molten over several Ma. This inferred longevity of the magma ocean is inconsistent with thermal models predicting rapid (<1 Ma) solidification of the martian magma ocean. Although there is currently no unique solution to this conundrum, our results can potentially be explained by a protracted history of impact bombardment that delayed differentiation in a shallow magma ocean on Mars, or perhaps more readily, by the presence of an early and dense atmosphere that acted as an insulator and prevented the magma ocean from cooling quickly.

58 GEOSCIENCES↗