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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Photocarrier-induced persistent structural polarization in soft-lattice lead halide perovskites

The success of the lead halide perovskites in diverse optoelectronics has motivated considerable interest in their fundamental photocarrier dynamics. Here, in this work, we report the discovery of photocarrier-induced persistent structural polarization and local ferroelectricity in lead halide perovskites. Photoconductance studies of thin-film single-crystal CsPbBr 3 at 10 K reveal long-lasting persistent photoconductance with an ultralong photocarrier lifetime beyond 10 6 s. X-ray diffraction studies reveal that photocarrier-induced structural polarization is present up to a critical freezing temperature. Photocapacitance studies at cryogenic temperatures further demonstrate a systematic local phase transition from linear dielectric to paraelectric and relaxor ferroelectric under increasing illumination. Our theoretical investigations highlight the critical role of photocarrier–phonon coupling and large polaron formation in driving the local relaxor ferroelectric phase transition. Our findings show that this photocarrier-induced persistent structural polarization enables the formation of ferroelectric nanodomains at low temperature, which suppress carrier recombination and offer the possibility of exploring intriguing carrier–phonon interplay and the rich polaron photophysics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Near-Zero Power MOF-Based Sensors for NO 2 Detection

Detection and capture of toxic nitrogen oxides (NO x ) is important for emissions control of exhaust gases and general public health. The ability to directly electrically detect trace (0.5–5 ppm) NO 2 by a metal–organic framework (MOF)-74-based sensor at relatively low temperatures (50 °C) is demonstrated via changes in electrical properties of M-MOF-74, M = Co, Mg, Ni. The magnitude of the change is ordered Ni > Co > Mg and explained by each variant's NO 2 adsorption capacity and specific chemical interaction. Ni-MOF-74 provides the highest sensitivity to NO 2 ; a 725× decrease in resistance at 5 ppm NO2 and detection limit <0.5 ppm, levels relevant for industry and public health. Furthermore, the Ni-MOF-74-based sensor is selective to NO 2 over N 2 , SO 2 , and air. Linking this fundamental research with future technologies, the high impedance of MOF-74 enables applications requiring a near-zero power sensor or dosimeter, with the active material drawing <15 pW for a macroscale device 35 mm 2 with 0.8 mg MOF-74. Finally, this represents a 10 4 –10 6 × decrease in power consumption compared to other MOF sensors and demonstrates the potential for MOFs as active components for long-lived, near-zero power chemical sensors in smart industrial systems and the internet of things.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Flexible organic integrated electronics for self-powered multiplexed ocular monitoring

Smart contact lens has drawn extensive research interests due to the noninvasive real-time detection of the human body to provide biomedical information for health management. However, it has been difficult to accurately measure the physiological signals in tears, and the use of external power source has also hindered the future applications. Here, we demonstrated an organic electrochemical transistor based multiplexed sensors self-powered by the organic solar cells (OSCs). The integrated device was fabricated via simple process including solution blade-coating and thermal evaporation. OSCs were optimized to provide optimal operation voltage for the sensors that exhibit semilog-linear response to the glucose and calcium ions in tear fluids without any peripheral circuits. The sensing signals can be transmitted to the laptop wirelessly through a near filed communication unit. This integrated self-powered multiplexed sensing device will provide real-time monitoring of the biomarkers in tears, prospected to be installed on the smart contact lens for the early detection and diagnosis of diabetes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]

Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

RFID-Enabled Tamper-Indicating Seal

Tamper-indicating seals protect sensitive materials, valuable equipment, and critical shipments. Most conventional seals must be checked through manual visual inspection and do not provide a digital record of their condition. Some attempts to remove, alter, or bypass a seal may also leave little visible damage, making tampering difficult to identify during routine inspections. Los Alamos National Laboratory has developed a smart tamper-indicating seal that converts even subtle tampering into a persistent digital record. The seal communicates its identity and status wirelessly through standard radio-frequency identification (RFID) readers, giving organizations a faster, more reliable way to verify that an asset has remained secure.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Nanofabrication of silicon surfaces for reduced virus adhesion

Nanofabrication is a remarkably effective technique to create desirable nanoscale patterns. Here, the effect of surface nanofabrication on altering virus adhesion to the substrates was examined. Arrays of nanoholes, 50 nm in diameter, 22 nm deep, and 100 nm in pitch distance, were created on silicon (Si) wafers by electron-beam lithography and reactive ion etching. MS2 coliphage, which is 26 ± 2 nm in diameter and is frequently used as a surrogate for human viruses, was applied to investigate the interaction between the virions and smooth or nanostructured Si surfaces. Scanning electron microscopy and atomic force microscopy along with surface wettability analyses revealed that the nanofabrication had the effect of reducing not only the number of viruses attached but also the strength of virus adhesion. These effects were ascribed to the presence of nanoholes, which were inaccessible to the virions due to the unique surface topographical parameters and the surface chemistry, resulting in the decrease of the overall solid contact area for MS2 attachment. The periodic spacing of the nanoholes also limited the unit landing area for MS2 particles, restricting the formation of MS2 aggregates and leading to the reduced amount of MS2 attachment. We anticipate that smart design of a surface’s chemical composition and nanostructure will offer a feasible solution to improve mitigations for controlling viral adhesion and transmission to and from food contact surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Improving Miscibility of Polymer Donor and Polymer Acceptor by Reducing Chain Entanglement for Realizing 18.64 % Efficiency All Polymer Solar Cells

All-polymer solar cells have experienced rapid development in recent years by the emergence of polymerized small molecular acceptors (PSMAs). However, the strong chain entanglements of polymer donors (P D s) and polymer acceptors (P A s) decrease the miscibility of the resulting polymer mixtures, making it challenging to optimize the blend morphology. Herein, we designed three P A s, namely PBTPICm-BDD, PBTPICγ-BDD and PBTPICF-BDD, by smartly using a BDD unit as the polymerized unit to copolymerize with different Y-typed non-fullerene small molecular acceptors (NF-SMAs), thus achieving a certain degree of distortion and giving the polymer system enough internal space to reduce the entanglements of the polymer chains. Such effects increase the chances of the P D being interspersed into the acceptor material, which improve the solubility between the P D and P A . The PBTPICγ-BDD and PBTPICF-BDD displayed better miscibility with PBQx-TCl, leading to a well optimized morphology. As a result, high power conversion efficiencies (PCEs) of 17.50 % and 17.17 % were achieved for PBQx-TCl : PBTPICγ-BDD and PBQx-TCl : PBTPICF-BDD devices, respectively. In conclusion, with the addition of PYFT-o as the third component into PBQx-TCl : PBTPICγ-BDD blend to further extend the absorption spectral coverage and finely tune microstructures of the blend morphology, a remarkable PCE of 18.64 % was realized finally.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Community College Energy Code Training Program

The U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) funded a series of research and training programs under the Advanced Building Construction with Energy Efficient Technologies and Practices (ABC) initiative. The aim is to develop new training programs to support the development of a skilled workforce in the building energy efficiency industry. In response, the University of Illinois Smart Energy Design Assistance Center (SEDAC), in collaboration with State Energy Offices in Illinois, Hawaii, and Nevada, developed the Community College Energy Code Training Program. The program is designed to prepare a new generation of energy-literate professionals that understand energy efficiency and its relation to energy codes for new construction and existing buildings through: a) the development of a curriculum and innovative pedagogical materials, b) dissemination through a national network of state energy offices: c) outreach targeting Community College students and instructors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

First principles reactive simulation for equation of state prediction

The high cost of density functional theory (DFT) has hitherto limited the ab initio prediction of the equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies to provide an unprecedented ab initio performance analysis of the high explosive pentaerythritol tetranitrate (PETN). Comparison to both experiment and thermochemical predictions reveals important quantitative limitations of DFT for EOS prediction and thus the assessment of high explosives. In particular, we find that DFT predicts the energy of PETN detonation products to be systematically too high relative to the unreacted neat crystalline material, resulting in an underprediction of the detonation velocity, pressure, and temperature at the Chapman–Jouguet state. The energetic bias can be partially accounted for by high-level electronic structure calculations of the product molecules. Furthermore we demonstrate a modeling strategy for mapping chemical composition across a wide parameter space with limited numerical data, the results of which suggest additional molecular species to consider in thermochemical modeling.

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

A Convergence of Public-Private Benefits in Denver: Surveys and Analyses to Inform Urban Mobility-, Energy-, Infrastructure- and Behavior-Related Innovation: Preprint

Cities, public transit agencies, and new private ride hailing services seek to understand emerging traveler dynamics, the shifting demographics of urban travelers,and new energy-efficient mobility opportunities. This includes exploring how new infrastructure investments, public and private mobility services, and smart-phone mobility apps are reshaping behaviors, demands (e.g. mobility-on-demand services), travel experiences and energy-efficient urban travel preferences. Currently, cities and metropolitan regions are providing and experimenting with many new mobility options, technologies, and personalized information services at the intersection of urban mobility, energy, and infrastructure systems (e.g., new commuter rail). To date, technology alone has not been able to crack the nut of 'creating faster trip times, less congestion, safer streets, and cleaner air for its citizens through fewer cars on the road'. This paper focuses on this gap by offering new concepts and potential for integrated approaches. Accommodating more vehicles miles traveled in cities, without increases in person miles traveled (PMT), could be costly, generating: 1) tremendous demands for new infrastructure, land, road space, materials, and energy; 2) higher traffic fatality risks; and 3) worsening air quality. Therefore, this study focuses on reducing single occupancy vehicle use by enhancing integrated mobility, helping transit and ridehailing increase occupancy in ways that also reduce energy use, and improve quality of life for urban travelers and communities. This study focuses on a survey of urban travelers in Denver, as a representative case study for metropolitan regions experiencing rapid growth, ageing populations, increased urban sprawl, traffic-related delays, and inefficient energy use per PMT.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Colorimetric Detection and Surface Decontamination of Metal Ions by Using Strippable Polymers - 20024

Strippable coating is a low cost and efficient decontamination method far more compatible for the cleaning of surfaces. This method allows contaminant entrapment and removal from different types of surfaces and also characterized by low-secondary waste generation after decontamination. The present work deals with the elaboration and testing of a new composition of Polyvinyl alcohol (PVA) aqueous solutions utilize the TTA (Thenoyl trifluoroacetone) ligand, employed as a strippable coating for the removal of metal ions e.g., UO{sub 2}{sup +2}, Ni{sup +2}, Cu{sup +2}, Fe{sup +3}, V{sup +5}, Eu{sup +3} and Cs{sup +} from 'contaminated' surfaces. The study aims at developing contaminant-sensing and decontaminating coatings for the detection and removal of metal ions from non porous surfaces. This 'smart' coating is shown to exhibit a clear contaminant dependent response in the form of color variation, and a detection sensitivity less than 0.5 μg per cm{sup 2}. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

2022 roadmap on 3D printing for energy

The energy transition is one of the main challenges of our society and therefore a major driver for the scientific community. To ensure a smart transition to a sustainable future energy scenario different technologies such as energy harvesting using solar cells or windmills and chemical storage in batteries, super-capacitors or hydrogen have to be developed and ultimately deployed. New fabrication approaches based on additive manufacturing and the digitalization of the industrial processes increase the potential to achieve highly efficient and smart technologies required to increase the competitiveness of clean energy technologies against fossil fuels. In this frame, the present roadmap highlights the tremendous potential of 3D printing as a new route to fully automate the manufacturing of energy devices designed as digital files. Additionally, this article gives numerous guidelines to maximize the performance and efficiency of the next generation of 3D printed devices for the energy transition while reducing the waste of critical raw materials. In particular, the paper is focused on the current status, present challenges and the expected and required advances of 3D printing for the fabrication of the most relevant energy technologies such as fuel cells and electrolysers, batteries, solar cells, super-capacitors, thermoelectric generators, chemical reactors and turbomachinery.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spectral Performance of Multilayer Amorphous Selenium and Selenium–Tellurium Photodetectors

The ability to robustly and with scalability detect single photons in the visible spectrum with wavelength resolution would transform many imaging applications. Theoretical studies propose an array of carbon nanotubes (CNTs) functionalized with semiconductor quantum dots (QDs) as a physical realization of such photon sensors. In this work, we report approaches to synthesize these CNT-QD nanostructures using DNA as a smart glue to connect CNTs to QDs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multi‐objective optimization for cost‐efficient and resilient machining under tool wear

Abstract With the onset and rapid growth of smart manufacturing, there is a constant increase in the demand for automation technologies to enhance productivity while providing uninterrupted, cost‐efficient, and resilient machining. Traditional manufacturing systems, however, suffer from several losses due to machine faults and degradation. Specifically, tool wear directly impacts the precision and quality of the milled parts, which causes an increase in the scrap production. Hence, more attempts are required to meet the desired quota of successful parts, which in turn results in wasted material, longer delays, further tool degradation, and higher energy, machining, and labor costs. As such, this paper develops a multi‐objective optimization framework to generate the optimal control set points (e.g., feed rate and width of cut) that minimize the total cost of machining operations resulting from multiple contradictory cost functions (e.g., material, energy, tardiness, machining, labor, and tool) in the presence of tool wear. Notably, we estimate the total expected cost in dollars, which provides automatic and intuitive weighting in this multi‐objective formulation. The optimization framework is tested on a high‐fidelity face milling model that has been validated on real data from industry. Results show significant dollar savings of up to as compared to the default control scheme.

Wilson, James P.↗
DOE OSTI2020

Operation, Manufacturing, and Supply Chain of Lithium-ion Batteries for Electric Vehicles

The US Department of Energy (DOE) has a rich history of funding key innovations in batteries through multiple programs, including the Energy Efficiency and Renewable Energy programs sponsored by the Vehicle Technologies Office and Advanced Manufacturing Office. These DOE-sponsored innovations have been critical in lowering the cost of lithium-ion batteries to less than $160/kWh and increasing their energy density to more than 250 Wh/kg, enhancing the nation’s electrification system and achieving higher degrees of decarbonization. These investments continue to be crucial for positioning the United States as the hub for the most cumulative battery R&D programs worldwide. However, major breakthroughs in battery manufacturing are still needed to enable an electrified future evolving to predominantly incorporate rechargeable lithium-ion batteries. This will require a strong battery manufacturing base that will not only enable cutting-edge advancements in materials and manufacturing sciences but will also allow the United States to become a world leader in this fast-growing area. This review aims at supporting DOE’s Advanced Technology Vehicle Manufacturing Loan Program to give technology background and information that can be used to develop the basis for loan topics and evaluate battery applications. Such a program can represent a significant stride toward reinforcing the US position in advanced manufacturing by introducing artificial intelligence, machine learning, and sensing and smart controls to facilitate, expedite, and lead the battery industry by 2030.

25 ENERGY STORAGE↗
DOE OSTI2021

FLC Award: Smart Chutes and Sensors

Increasing the production and use of biofuels is a national objective for renewable, cleaner energy. A primary objective of the Department of Energy’s Bioenergy Technologies Office (BETO) Feedstock-Conversion Interface Consortium (FCIC) is to address the operational, safety, throughput, and yield of bio-refineries to revolutionize biomass processing with the goal to make bio-derived fuels cost-competitive with fossil fuels. One of the main hurdles is increasing the operational reliability of the bio-refineries. Bio-refineries convert the biomass, such as corn stover, into ethanol. Corn stover is composed of the non-edible stalks, leaves, cobs, and husks left over from harvesting. This material is known for having poor processing properties for bulk solids handling and transport. These properties, such as moisture content, cause costly system plugging and downtime at bio-refineries which limit biofuel from being cost-competitive with diesel and gasoline fuels.

09 BIOMASS FUELS↗
DOE OSTI2022

2020 Solar Decathlon Education Partner: Cooperative Research and Development (Final Report, CRADA Number CRD-19-00802)

The U.S. Department of Energy Solar Decathlon (DOE/SD) is a collegiate competition, comprising 10 contests, that challenges student teams to design and build highly efficient and innovative buildings powered by renewable energy. The winners will be those teams that best blend architectural and engineering excellence with innovation, market potential, building efficiency, and smart energy production. The DOE/SD is comprised of two Challenges--Design Challenge (annual, in April of each year at NREL in Golden, Colo.) and Build Challenge (biennial, held next in June/July 2020 in Washington D.C.). NREL provides competition management for DOE/SD. For over 35 years, EEBA has provided the most trusted resources for building science information and education in the construction industry. EEBA delivers turn-key educational resources and events designed to transform residential construction practices through high performance design, marketing, materials, and technologies. NREL and EEBA establish this CRADA to enable the success of the DOE/SD program in managing sponsorship funds and creating a professional education program. EEBA acted as an Education Partner to DOE/SD, which included: 1) accepting and dispersing sponsorship funds for DOE/SD; and 2) providing professional development content.

14 SOLAR ENERGY↗