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Results for “efficiency 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.

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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Rate capability and Ragone plots for phase change thermal energy storage

Phase change materials can improve the efficiency of energy systems by time shifting or reducing peak thermal loads. The value of a phase change material is defined by its energy and power density—the total available storage capacity and the speed at which it can be accessed. These are influenced by material properties but cannot be defined with these properties alone. In this work, we show the close link between energy and power density by developing thermal rate capability and Ragone plots, a framework widely used to describe the trade-off between energy and power in electrochemical storage systems (that is, batteries). Our results elucidate how material properties, geometry and operating conditions influence the performance of phase change thermal storage. This research sets a clear framework for comparing thermal storage materials and devices and can be used by researchers and designers to increase clean energy use with storage.

25 ENERGY STORAGE↗
DOE OSTI2022

Suspension electrolyte with modified Li + solvation environment for lithium metal batteries

Designing a stable solid–electrolyte interphase on a Li anode is imperative to developing reliable Li metal batteries. In this work, we report a suspension electrolyte design that modifies the Li + solvation environment in liquid electrolytes and creates inorganic-rich solid–electrolyte interphases on Li. Li 2 O nanoparticles suspended in liquid electrolytes were investigated as a proof of concept. Through theoretical and empirical analyses of Li 2 O suspension electrolytes, the roles played by Li 2 O in the liquid electrolyte and solid–electrolyte interphases of the Li anode are elucidated. Also, the suspension electrolyte design is applied in conventional and state-of-the-art high-performance electrolytes to demonstrate its applicability. Based on electrochemical analyses, improved Coulombic efficiency (up to ~99.7%), reduced Li nucleation overpotential, stabilized Li interphases and prolonged cycle life of anode-free cells (~70 cycles at 80% of initial capacity) were achieved with the suspension electrolytes. We expect this design principle and our findings to be expanded into developing electrolytes and solid–electrolyte interphases for Li metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Building fault detection data to aid diagnostic algorithm creation and performance testing

It is estimated that approximately 4-5% of national energy consumption can be saved through corrections to existing commercial building controls infrastructure and resulting improvements to efficiency. Correspondingly, automated fault detection and diagnostics (FDD) algorithms are designed to identify the presence of operational faults and their root causes. A diversity of techniques is used for FDD spanning physical models, black box, and rule-based approaches. A persistent challenge has been the lack of common datasets and test methods to benchmark their performance accuracy. This article presents a first of its kind public dataset with ground-truth data on the presence and absence of building faults. This dataset spans a range of seasons and operational conditions and encompasses multiple building system types. It contains information on fault severity, as well as data points reflective of the measurements in building control systems that FDD algorithms typically have access to. The data were created using simulation models as well as experimental test facilities, and will be expanded over time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Behavioral state resource selection in invasive wild pigs in the Southeastern United States

Elucidating correlations between wild pig ( Sus scrofa ) behavior and landscape attributes can aid in the advancement of management strategies for controlling populations. Using GPS data from 49 wild pigs in the southeastern U.S., we used hidden Markov models to define movement path characteristics and assign behaviors (e.g., resting, foraging, travelling). We then explored the connection between these behaviors and resource selection for both sexes between two distinct seasons based on forage availability (i.e., low forage, high forage). Females demonstrated a crepuscular activity pattern in the high-forage season and a variable pattern in the low-forage season, while males exhibited nocturnal activity patterns across both seasons. Wild pigs selected for bottomland hardwoods and dense canopy cover in all behavioral states in both seasons. Males selected for diversity in vegetation types while foraging in the low-forage season compared to the high-forage season and demonstrated an increased use of linear anthropogenic features across seasons while traveling. Wild pigs can establish populations and home ranges in an array of landscapes, but our results demonstrate male and female pigs exhibit clear differences in movement behavior and there are key resources associated with common behaviors that can be targeted to improve the efficiency of management programs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Providing curb availability information to delivery drivers reduces cruising for parking

Abstract Delivery vehicle drivers are experiencing increasing challenges in finding available curb space to park in urban areas, which increases instances of cruising for parking and parking in unauthorized spaces. Policies traditionally used to reduce cruising for parking for passenger vehicles, such as parking fees and congestion pricing, are not effective at changing delivery drivers’ travel and parking behaviors. Intelligent parking systems that use real-time curb availability information to better route and park vehicles can reduce cruising for parking, but they have never been tested for delivery vehicle drivers. The current study tested whether providing real-time curb availability information to delivery drivers reduces the travel time and distance spent cruising for parking. A curb parking information system deployed in a study area in Seattle, Wash., displayed real-time curb availabilities on a mobile app called OpenPark. A controlled experiment assigned drivers’ deliveries in the study area with and without access to OpenPark. The data collected showed that when curb availability information was provided to drivers, their cruising for parking time significantly decreased by 27.9 percent, and their cruising distance decreased by 12.4 percent. These results demonstrate the potential for implementing intelligent parking systems to improve the efficiency of urban logistics systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Quantum embedding theories to simulate condensed systems on quantum computers.

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties that are more complex than tractable at present on classical architectures. Here, we discuss computational frameworks to carry out electronic structure calculations of solids on noisy intermediate-scale quantum computers using embedding theories, and we give examples for a specific class of materials, that is, solid materials hosting spin defects. These are promising systems to build future quantum technologies, such as quantum computers, quantum sensors and quantum communication devices. Although quantum simulations on quantum architectures are in their infancy, promising results for realistic systems appear to be within reach.

Vorwerk, Christian↗
DOE OSTI2025

Controlled electrochemical nutrient delivery to enhance marine primary productivity

Oceanic photosynthesis contributes to approximately half of the Earth’s net annual primary productivity. Marine photosynthetic productivity has a high degree of heterogeneity due to spatial and temporal co-limitations of light, temperature, and/or nutrients. Across coastal, near-shore, and open ocean regions, insufficient concentrations of key nutrients (e.g., N, P, Fe) can limit primary productivity. Although studies have shown a significant increase in primary productivity with the addition of low doses of trace nutrients, a sustainable approach to reliably deliver and maintain low doses of nutrients and ensure their bioavailability, remains a challenge. Chemical nutrient addition has relied on the use of chelating agents to ensure nutrient bioavailability, but synthetic chelators are persistent environmental pollutants. In this study, we demonstrate for the first time the use of a controlled electrochemical nutrient delivery (CEND) approach to accelerate the growth of phytoplankton without the need for such chelators. Our study uses commercial stainless-steel electrodes to deliver low concentrations of iron to enhance growth rates in the microalga Picochlorum celeri TG2. To demonstrate the process control offered by the CEND method, we evaluate iron delivery as a function of pulse time, pulse frequency, and rest time between pulses. Our data show that at the same total Fe dose of 163 ppb, electrochemical iron delivery can achieve 9.54 ± 0.58 mg biomass/µg Fe, which is comparable to 9.14 ± 0.17 mg biomass/µg Fe achieved with chemical iron additions that include the synthetic chelating agent ethylenediaminetetraacetic acid (EDTA). Further, when different total iron doses (163 ppb, 325 ppb, and 650 ppb) were delivered over 72 h using CEND, biomass yield per iron dose was higher at lower doses: 9.54 ± 0.58 mg biomass/µg Fe at 163 ppb vs. 4.32 ± 0.32 mg biomass/µg Fe at 650 ppb. This highlights the benefits of CEND in delivering frequent and low doses of nutrients for improved process efficiency. Preliminary assessments show both lower cost and reduced greenhouse gas emissions from electrochemical over chemical iron additions with EDTA. The CEND approach opens new pathways to enhance marine primary productivity, without the unintended environmental impacts of synthetic chelators.

analytical chemistry↗
DOE OSTI2026

A simulation framework for evaluating electronic order workflows in integrated health records

Electronic health record (EHR) systems are critical to modern healthcare delivery, yet the dynamic workflows that govern electronic order processing remain underexplored. Inefficiencies in these digital pathways can cause delays in care, repetitive workloads, and even patient harm. This study presents a discrete-event simulation framework used to reconstruct and evaluate EHR-based order workflows in a large integrated healthcare system. Using real-world data extracted from the Veterans Health Administration’s Corporate Data Warehouse, the authors mapped order events to standardized state transitions and modeled their progression across different facilities of varying complexity levels. After being calibrated with empirical distributions of transition times and validated against observed time-in-system metrics, the simulation demonstrates close alignment with historical performance. Scenario analyses reveal that resource capacity constraints significantly amplify the impact of electronic order surges, which are reflected in the disproportionate growth in backlogs and processing delays. Adjustments in transition probabilities further increased recirculation and extended workflow paths. Network-based analysis identified Reserved, InProgress, and Completed as structurally critical states that function as hubs within the process network but the transitions in-between also act as major bottlenecks. These results showcased the effectiveness of simulation-based approaches in monitoring EHR order processing performance and evaluating consequences of workflow changes on healthcare network resources planning. The proposed simulation framework provides a scalable data-driven tool to support operational decision-making and improve the efficiency of electronic order management in complex healthcare environments.

Engineering↗
DOE OSTI2020

A higher voltage Fe( II ) bipyridine complex for non-aqueous redox flow batteries

Non-aqueous redox flow batteries (RFBs) offer the possibility of higher voltage and a wider working temperature range than their aqueous counterpart. In this study, we optimize the established 2.26 V Fe(bpy) 3 (BF 4 ) 2 /Ni(bpy) 3 (BF 4 ) 2 asymmetric RFB to lessen capacity fade and improve energy efficiency over 20 cycles. We also prepared a family of substituted Fe(bpyR) 3 (BF 4 ) 2 complexes (R = –CF 3 , –CO 2 Me, –Br, –H, – t Bu, –Me, –OMe, –NH 2 ) to potentially achieve a higher voltage RFB by systematically tuning the redox potential of Fe(bpyR) 3 (BF 4 ) 2 , from 0.94 V vs. Ag/AgCl for R = OMe to 1.65 V vs. Ag/AgCl for R = CF 3 (ΔV = 0.7 V). A series of electronically diverse symmetric and asymmetric RFBs were compared and contrasted to study electroactive species stability and efficiency, in which the unsubstituted Fe(bpy) 3 (BF 4 ) 2 exhibited the highest stability as a catholyte in both symmetric and asymmetric cells with voltage and coulombic efficiencies of 94.0% and 96.5%, and 90.7% and 80.7%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Manipulation of amorphous precursors to enhance zeolite nucleation

Crystallization in media comprised of amorphous precursors is becoming a more common phenomenon for numerous synthetic, biological, and natural materials that grow by a combination of classical and nonclassical pathways. Amorphous phases can exhibit a wide range of physicochemical properties that may evolve during the course of nucleation and crystal growth. This creates challenges for establishing causal relationships between amorphous precursor properties and their effect(s) on the selection of mechanistic pathways of crystallization and ultimately the properties of the crystalline product. In this study, we examine ways to manipulate the composition and colloidal stability of amorphous (alumino)silicate precursors that are prevalent in nanoporous zeolite syntheses. Changes in the amorphous precursor properties are evaluated on the basis of their ability to enhance rates of crystal formation. Here, we use fumed silica as the primary silicon source and examine the effects of infusing the source or growth medium with additional alkali metal, which serves as an inorganic structure-directing agent to facilitate the formation of porous crystal structures. We also assess the impact of adding a polymer additive, which reduces the colloidal stability of precursors, wherein we posit that the confined pockets of solution within the interstitial spaces of the precursor aggregates play an important role in regulating the rate of zeolite crystallization. Three commercially relevant zeolites (mordenite, SSZ-13, and ZSM-5) were selected for this study based on their diverse frameworks and methods of preparation. Here our findings reveal that alkali infusion significantly reduces the crystallization times for mordenite and SSZ-13, but has little impact on ZSM-5 synthesis. Conversely, we find that polymer addition markedly enhanced the rates of crystallization among all three zeolites, suggesting that this method may be a general approach to reduce zeolite synthesis times. Given the relatively high costs associated with commercial zeolite production, identifying new methods to improve the efficiency of hydrothermal syntheses can have significant practical implications beyond the fundamental benefits of developing new routes to tailor nonclassical crystallization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bandgap recovery of monolayer MoS 2 using defect engineering and chemical doping

Two-dimensional transition metal dichalcogenide materials have created avenues for exciting physics with unique electronic and photonic applications. Among these materials, molybdenum disulfide is the most known due to extensive research in understanding its electronic and optical properties. In this paper, we report on the successful growth and modification of monolayer MoS 2 (1L MoS 2 ) by controlling carrier concentration and manipulating bandgap in order to improve the efficiency of light emission. Atomic size MoS 2 vacancies were created using a Helium Ion Microscope, then the defect sites were doped with 2,3,5,6-tetrafluro7,7,8,8-tetracyanoquinodimethane (F4TCNQ). The carrier concentration in intrinsic (as-grown) and engineered 1L MoS 2 was calculated using Mass Action model. The results are in a good agreement with Raman and photoluminescence spectroscopy as well as Kelvin probe force microscopy characterizations.

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

Triplet photodynamic and up-conversion luminescence in donor–acceptor dyads with slip-stacked vs. co-facial arrangement

We report the design/synthesis and characterization of organic donor–acceptor (D–A) dyads can provide precious data allowing to improve the efficiency of classical photo-induced bimolecular interactions/processes. In this report, two novel triplet D–A dyads (4 and 5) were synthesized and fully characterized. While the optical absorption and emission profiles of these new systems exhibit similar spectral structures as that of the triplet donor/sensitizer quinoidal thioamide (QDN), the transient absorption (TA) spectra of these two dyads produced new features that can be associated with triplet transients and charge transfer species. However, the kinetics of the excited-state processes/dynamics is significantly influenced by the geometrical arrangement(s) of donor/acceptor chromophores. Further analysis of the TA data suggests that the dyad with slip-stack geometry (4) is less effective in undergoing both intra- and inter-dyad triplet energy transfer than the dyad with co-facial geometry (5). Subsequently, triplet sensitization of 9,10-diphenylanthracene (DPA) using both dyads led to upconverted photoluminescence via triplet–triplet annihilation of DPA triplet transients. But, it was found that a maximum upconversion quantum yield could be achieved at a low power density using the co-facial type dyad 5. Altogether, these results provide valuable guidance in the design of triplet donor–acceptor dyads, which could be used for light-harvesting/modulation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ultrafast materials synthesis and manufacturing techniques for emerging energy and environmental applications

Energy and environmental issues have attracted increasing attention globally, where sustainability and low-carbon emissions are seriously considered and widely accepted by government officials. In response to this situation, the development of renewable energy and environmental technologies is urgently needed to complement the usage of traditional fossil fuels. While a big part of advancement in these technologies relies on materials innovations, new materials discovery is limited by sluggish conventional materials synthesis methods, greatly hindering the advancement of related technologies. To address this issue, this review introduces and comprehensively summarizes emerging ultrafast materials synthesis methods that could synthesize materials in times as short as nanoseconds, significantly improving research efficiency. We discuss the unique advantages of these methods, followed by how they benefit individual applications for renewable energy and the environment. We also highlight the scalability of ultrafast manufacturing towards their potential industrial utilization. Finally, we provide our perspectives on challenges and opportunities for the future development of ultrafast synthesis and manufacturing technologies. Here, we anticipate that fertile opportunities exist not only for energy and the environment but also for many other applications.

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

Creating ground truth for nanocrystal morphology: a fully automated pipeline for unbiased transmission electron microscopy analysis

Control over colloidal nanocrystal morphology (size, size distribution, and shape) is important for tailoring the functionality of individual nanocrystals and their ensemble behavior. Despite this, traditional methods to quantify nanocrystal morphology are laborious. New developments in automated morphology classification will accelerate these analyses but the assessment of machine learning models is limited by human accuracy for ground truth, causing even unsupervised machine learning models to have inherent bias. Herein, we introduce synthetic image rendering to solve the ground truth problem of nanocrystal morphology classification. By simulating 2D images of nanocrystal shapes via a function of high-dimensional parameter space, we trained a convolutional neural network to link unique morphologies to their simulated parameters, defining nanocrystal morphology quantitatively rather than qualitatively. An automated pipeline then processes, quantitatively defines, and classifies nanocrystal morphology from experimental transmission electron microscopy (TEM) images. Using improved computer vision techniques, 42,650 nanocrystals were identified, assessed, and labeled with quantitative parameters, offering a 600-fold improvement in efficiency over best-practice manual measurements. Further, a classification algorithm was trained with a prediction accuracy of 99.5%, which can successfully analyze a range of concave, convex, and irregular nanocrystal shapes. The resulting pipeline was applied to differentiating two syntheses of nominally cuboidal CsPbBr 3 nanocrystals and uniquely classifying binary nickel sulfide nanocrystal phase based on morphology. This pipeline provides a simple, efficient, and unbiased method to quantify nanocrystal morphology and represents a practical route to construct large datasets with an absolute ground truth for training unbiased morphology-based machine learning algorithms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films

Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.

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

Lewis acid–base pair doping of p-type organic semiconductors

Doping is required to increase the electrical conductivity of organic semiconductors for uses in electronic and energy conversion devices. The limited number of commonly used p-type dopants suggests that new dopants or doping mechanisms could improve the efficiency of doping and provide new means for processing doped polymers. Drawing on Lewis acid–base pair chemistry, we combined Lewis acid dopant B(C 6 F 5 ) 3 (BCF) with the weak Lewis base benzoyl peroxide (BPO). The detailed behavior of p-type doping of the model polymer poly(3-hexylthiophene) (P3HT) with this Lewis acid–base pair in solution was examined. Solution 19F-NMR spectra confirmed the formation of the expected counterion, as well as side products from reactions with solvent. BCF : BPO was also found to efficiently dope a range of semiconducting polymers with varying chemical structures demonstrating that the BCF : BPO combination has an effective electron affinity of at least 5.3 eV. In thin films of regioregular P3HT cast from the doped solutions, delocalized polarons formed due to the large counterions leading to a large polaron-counterion distance. At and above 0.2 eq. BCF : BPO doping, amorphous areas of the film became doped, disrupting the structural order of the films. Despite the change in structural order, thin films of regioregular P3HT doped with 0.2 eq. BCF : BPO had a conductivity of 25 S cm -1 . This study demonstrates the effectiveness of a two-component Lewis acid–base doping mechanism and suggests additional two-component Lewis acid–base chemistries should be explored.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermal management challenges in lithium-ion batteries: understanding heat generation mechanisms

This paper investigates heat generation in commercial 18 650 lithium-ion battery cells and the thermal management challenges from their high energy density and electrochemical processes. Thermal effects can degrade performance, accelerate aging, and increase thermal runaway risk. Using isothermal calorimetry and EIS, the study emphasizes optimizing thermal behavior to improve battery efficiency, safety, and durability.

25 ENERGY STORAGE↗