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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Non-invasive authentication of mail packages using nuclear quadrupole resonance spectroscopy

The international postal network is one of the most widely used methods for correspondence throughout the world. Most postal traffic across the globe consists of legitimate interpersonal, business-consumer, and business-business communications. However, the global postal system is also utilized for criminal activity. In particular, it is often utilized to ship and distribute contraband, including illegal psychoactive drugs such as fentanyl and heroin, to consumers. Existing technological solutions are capable of identifying synthetic opioids and other illegal drugs within packages, but are accompanied by several disadvantages that make them unsuitable for large-scale authentication of international mail traffic. This paper presents a novel method for non-invasive authentication of mail packages that overcomes these challenges. The approach uses nuclear quadrupole resonance (NQR) spectroscopy to detect and quantify the presence of known active pharmaceutical ingredients (APIs) within the package. It has been experimentally demonstrated using a bench top prototype. Test results from a variety of package types demonstrate the effectiveness of the proposed authentication approach.

42 ENGINEERING↗
DOE OSTI2022

High-quality microresonators in the longwave infrared based on native germanium

The longwave infrared (LWIR) region of the spectrum spans 8 to 14 μm and enables high-performance sensing and imaging for detection, ranging, and monitoring. Chip-scale LWIR photonics has enormous potential for real-time environmental monitoring, explosive detection, and biomedicine. However, realizing technologies such as precision sensors and broadband frequency combs requires ultra low-loss and low-dispersion components, which have so far remained elusive in this regime. Here, we use native germanium to demonstrate the first high-quality microresonators in the LWIR. These microresonators are coupled to partially-suspended Ge waveguides on a separate glass chip, allowing for the first unambiguous measurements of isolated linewidths. At 8 μm, we measured losses of 0.5 dB/cm and intrinsic quality (Q) factors of 2.5 × 10 5 , nearly two orders of magnitude higher than prior LWIR resonators. Our work portends the development of novel sensing and nonlinear photonics in the LWIR regime.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Simulations of coherent scattering experiments at storage ring synchrotron radiation sources in the hard x-ray range

Detailed simulations of experiments carried out at modern light sources are directly related to the most efficient and productive use of these facilities for research in multiple branches of science and technology. The “Synchrotron Radiation Workshop” computer code with its Python interface, and Sirepo web-browser-based graphical user interface, currently supports physical optics simulations of coherent X-ray scattering and imaging experiments on user-defined virtual samples. We present examples of simulations of coherent scattering experiments that are typically performed at the Coherent Hard X-ray beamline at Brookhaven National Laboratory’s (BNL) National Synchrotron Light Source II. We also present several comparisons of the simulations with the results of actual coherent X-ray scattering experiments with nano-fabricated test samples produced at BNL’s Center for Functional Nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Candidacy Renewal Report for ICERR Designation

The International Atomic Energy Agency (IAEA) has established a designation for an International Centre based on Research Reactors (ICERR). The intention of this designation is to provide a vehicle for IAEA member states to access international research-reactor and ancillary nuclear research and development infrastructure. The U.S. Department of Energy (DOE) has made a commitment to world leadership in the development of advanced nuclear energy, science, and technology. To this end, DOE has established programs and initiatives to enhance this leadership role. ICERR designation constitutes an important step in achieving the DOE vision. DOE, represented by Idaho National Laboratory (INL) and Oak Ridge National Laboratory (ORNL), is submitting this application for re-designation as an IAEA ICERR. Both INL and ORNL have a decades-long and storied history that supports nuclear research, development, and deployment both nationally and internationally. Both have a history of safe and efficient nuclear operations and have demonstrated a track record of international collaboration and cooperation. INL and ORNL are home to two primary and two secondary research reactors. The primary reactors are Advanced Test Reactor at INL, and High-Flux Isotope Reactor at ORNL. Secondary reactors include: Neutron Radiography Reactor at INL, Transient Reactor Test (TREAT) Facility at INL, and INL Advanced Test Reactor: Critical Facility (ATRC). ICERR designation will also include numerous ancillary facilities at both laboratories, including the following: Multiple post-irradiation examination facilities at both INL and ORNL, Radiochemistry hot-cell facilities at ORNL, INL nuclear-fuel-fabrication and materials-science facilities, and INL and ORNL radiological and nuclear analytical capabilities.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader range of electromagnetic waves in the devices. However, numerous and contradicting requirements significantly limit the discovery of new potential candidates, which, in turn, hinders the technological development. In the present work, the static nonlinear susceptibility and dielectric tensor are computed via density-functional perturbation theory for a set of 579 inorganic semiconductors. The computational methodology is discussed and the provided database is described with respect to both its data distribution and its format. Several comparisons with both experimental and ab initio results from literature allow to confirm the reliability of our data. The aim of this work is to provide a relevant dataset to foster the identification of promising nonlinear optical crystals in order to motivate their subsequent experimental investigation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Synthetic dioxygenase reactivity by pairing electrochemical oxygen reduction and water oxidation

The reactivity of molecular oxygen is crucial to clean energy technologies and green chemical synthesis, but kinetic barriers complicate both applications. In synthesis, dioxygen should be able to undergo oxygen atom transfer to two organic molecules with perfect atom economy, but such reactivity is rare. Monooxygenase enzymes commonly reductively activate dioxygen by sacrificing one of the oxygen atoms to generate a more reactive oxidant. Here, we used a manganese-tetraphenylporphyrin catalyst to pair electrochemical oxygen reduction and water oxidation, generating a reactive manganese-oxo at both electrodes. This process supports dioxygen atom transfer to two thioether substrate molecules, generating two equivalents of sulfoxide with a single equivalent of dioxygen. This net dioxygenase reactivity consumes no electrons but uses electrochemical energy to overcome kinetic barriers.

Science & Technology - Other Topics↗
DOE OSTI2021

Pentiptycene-based ladder polymers with configurational free volume for enhanced gas separation performance and physical aging resistance

Significance Gas separation membranes are an emerging energy-efficient alternative toward conventional, energy-intensive separation technologies such as cryogenic distillation. Ladder polymers with intrinsic microporosity show exceptional promise toward redefining state-of-the-art gas separation membranes due to their high permeability (throughput) and selectivity (separation efficiency). However, they are typically inhibited by major reductions in permeability over time due to collapsing membrane free volume (open space between polymer chains), forfeiting their greatest asset. This work explores a route toward enhanced aging resistance and overall separation performance by incorporating pentiptycene (an H-shaped scaffold containing five fused arene rings) into ladder-like polymers to incorporate natural, more permanent “micropores” that aren’t susceptible to densification of polymer chains that occurs over time in traditional microporous polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

CASPI: collaborative photon processing for active single-photon imaging

Image sensors capable of capturing individual photons have made tremendous progress in recent years. However, this technology faces a major limitation. Because they capture scene information at the individual photon level, the raw data is sparse and noisy. Here we propose CASPI: Collaborative Photon Processing for Active Single-Photon Imaging, a technology-agnostic, application-agnostic, and training-free photon processing pipeline for emerging high-resolution single-photon cameras. By collaboratively exploiting both local and non-local correlations in the spatio-temporal photon data cubes, CASPI estimates scene properties reliably even under very challenging lighting conditions. We demonstrate the versatility of CASPI with two applications: LiDAR imaging over a wide range of photon flux levels, from a sub-photon to high ambient regimes, and live-cell autofluorescence FLIM in low photon count regimes. We envision CASPI as a basic building block of general-purpose photon processing units that will be implemented on-chip in future single-photon cameras.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

A review of computational methods for studying oscillating water columns – the Navier-Stokes based equation approach

This review evaluates the state-of-the-practice numerical tools used to predict the performance of Oscillating Water Column (OWC). The OWC is a widely studied Wave Energy Converter that provides a reliable form of renewable form of electricity that can potentially meet global energy needs. However, the fluid-flow phenomena affecting its hydrodynamic performance are not fully understood. While there has been the successful full-scale deployment of OWCs, various computational methods are being explored to optimize this technology. Potential flow theory is commonly used to evaluate the efficiency of OWCs; however, this assumption tends to over-predict the hydrodynamic performance. Recently, numerical studies using a diverse set of commercial, open-source, or in-house Computational Fluid Dynamics (CFD) using Reynolds Averaged Navier Stokes (RANS) and Large-Eddy Simulation codes show a better comparison to available experimental results but are computationally expensive. ANSYS Fluent was found to be the most widely used CFD code applied to the study of the OWCs, with a high degree of accuracy in terms of experimental validation of numerical results.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Reconfigurable Cascaded Thermal Neuristors for Neuromorphic Computing

While the complementary metal-oxide semiconductor (CMOS) technology is the mainstream for the hardware implementation of neural networks, an alternative route is explored based on a new class of spiking oscillators called “thermal neuristors”, which operate and interact solely via thermal processes. Utilizing the insulator-to-metal transition (IMT) in vanadium dioxide, a wide variety of reconfigurable electrical dynamics mirroring biological neurons is demonstrated. Notably, inhibitory functionality is achieved just in a single oxide device, and cascaded information flow is realized exclusively through thermal interactions. To elucidate the underlying mechanisms of the neuristors, a detailed theoretical model is developed, which accurately reflects the experimental results. In conclusion, this study establishes the foundation for scalable and energy-efficient thermal neural networks, fostering progress in brain-inspired computing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The cost of direct air capture and storage can be reduced via strategic deployment but is unlikely to fall below stated cost targets

Carbon dioxide removal (CDR) is necessary to minimize the impact of climate change by tackling hard-toabate sectors and historical emissions. Direct air capture and storage (DACS) is an important CDR technology, but it remains unclear when and how DACS can be economically viable. Here, we use a bottom-up engineering-economic model together with top-down technological learning projections to calculate plant-level cost trajectories for four DACS technologies. Our analysis demonstrates that the costs of these technologies can plateau by 2050 at around $\$$100-600 t-CO 2 -1 mainly via capital cost reduction through aggressive deployment, but still exceed the optimistic targets defined by countries such as the US (i.e., $\$$100 t-CO 2 -1 ). A further analysis of existing policy mechanisms indicates that strong, project-catered policy support will be required to create market opportunities, accelerate DACS scale-up and lower the costs further. Our work suggests that strategic DACS deployment and operation must be coupled with strong policies to minimise the cost of DACS and maximise the opportunity to make a planet-scale climate impact.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electricity and natural gas tariffs at United States wastewater treatment plants

Abstract Wastewater treatment plants (WWTPs) are large electricity and natural gas consumers with untapped potential to recover carbon-neutral biogas and provide energy services for the grid. Techno-economic analysis of emerging energy recovery and management technologies is critical to understanding their commercial viability, but quantifying their energy cost savings potential is stymied by a lack of well curated, nationally representative electricity and natural gas tariff data. We present a dataset of electricity tariffs for the 100 largest WWTPs in the Clean Watershed Needs Survey (CWNS) and natural gas tariffs for the 54 of 100 WWTPs with on-site cogeneration. We manually collected tariffs from each utility’s website and implemented data checks to ensure their validity. The dataset includes facility metadata, electricity tariffs, and natural gas tariffs (where cogeneration is present). Tariffs are current as of November 2021. We provide code for technical validation along with a sample simulation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

FLIMJ: An open-source ImageJ toolkit for fluorescence lifetime image data analysis

In the field of fluorescence microscopy, there is continued demand for dynamic technologies that can exploit the complete information from every pixel of an image. One imaging technique with proven ability for yielding additional information from fluorescence imaging is Fluorescence Lifetime Imaging Microscopy (FLIM). FLIM allows for the measurement of how long a fluorophore stays in an excited energy state, and this measurement is affected by changes in its chemical microenvironment, such as proximity to other fluorophores, pH, and hydrophobic regions. This ability to provide information about the microenvironment has made FLIM a powerful tool for cellular imaging studies ranging from metabolic measurement to measuring distances between proteins. The increased use of FLIM has necessitated the development of computational tools for integrating FLIM analysis with image and data processing. To address this need, we have created FLIMJ, an ImageJ plugin and toolkit that allows for easy use and development of extensible image analysis workflows with FLIM data. Built on the FLIMLib decay curve fitting library and the ImageJ Ops framework, FLIMJ offers FLIM fitting routines with seamless integration with many other ImageJ components, and the ability to be extended to create complex FLIM analysis workflows. Building on ImageJ Ops also enables FLIMJ’s routines to be used with Jupyter notebooks and integrate naturally with science-friendly programming in, e.g., Python and Groovy. We show the extensibility of FLIMJ in two analysis scenarios: lifetime-based image segmentation and image colocalization. We also validate the fitting routines by comparing them against industry FLIM analysis standards.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Applying MALDI-TOF MS to resolve morphologic and genetic similarities between two Dermacentor tick species of public health importance

Abstract Hard ticks (Acari: Ixodidae) have been historically identified by morphological methods which require highly specialized expertise and more recently by DNA-based molecular assays that involve high costs. Although both approaches provide complementary data for tick identification, each method has limitations which restrict their use on large-scale settings such as regional or national tick surveillance programs. To overcome those obstacles, the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has been introduced as a cost-efficient method for the identification of various organisms, as it balances performance, speed, and high data output. Here we describe the use of this technology to validate the distinction of two closely relatedDermacentortick species based on the development of the first nationwide MALDI-TOF MS reference database described to date. The dataset obtained from this protein-based approach confirms that tick specimens collected from United States regions west of the Rocky Mountains and identified previously asDermacentor variabilisare the recently described species,Dermacentor similis. Therefore, we propose that this integrative taxonomic tool can facilitate vector and vector-borne pathogen surveillance programs in the United States and elsewhere.

Science & Technology - Other Topics↗
DOE OSTI2024

The Effect of Luminance Pattern on Nighttime Discomfort Glare Response - CRADA 653 (Abstract)

Light Emitting Diode (LED) adoption is critical for widespread energy savings from commercial outdoor lighting systems. A complaint from the public, concerns glare from LED light fixtures especially those with exposed LED arrays. This human factor study will examine luminance uniformity of the fixture aperture to identify parameters related to this response. The outcome will inform optical design by lighting manufacturers, retaining LED energy efficiency while mitigating glare. The results may also lead to improved industry standard glare metrics for lighting. Pacific Northwest National Laboratory’s (PNNL) Lighting Science and Technology Lab in Portland OR has a purpose-built apparatus with exposed LED arrays that have been used for prior work. It can easily be adapted for use in this experiment. Interchangeable templates will allow changing patterns for the stimulus. Glare ratings from the recruited subjects will be analyzed and reported in a peer-reviewed journal for application by luminaire manufacturers for improved products. The McClung Foundation’s interest is to better understand human perception of lighting, leading to more comfortable and effective visual environments. Members of the Foundation’s Technical Review Committee will be instrumental in reviewing the experimental design, analysis, and the final report. They will also help disseminate information about the results within the lighting community.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Development of Electrolytes under Lean Condition in Lithium–Sulfur Batteries

Lithium–sulfur (Li–S) batteries stand out as one of the promising candidates for next-generation electrochemical energy storage technologies. A key requirement to realize high-specific-energy Li–S batteries is to implement low amount of electrolyte, often characterized by the electrolyte/sulfur (E/S) ratio. Low E/S ratio aggravates the known challenges for Li–S batteries and introduces new ones originated from the high concentration of polysulfides in limited electrolyte reservoir. Here, in this review, the connections between the fundamental properties of electrolytes and the electrochemical/chemical reactions in Li–S batteries under lean electrolyte condition are elucidated. The emphasis is on how the solvating properties of the electrolyte affect the fate of polysulfides. Built upon the mechanistic analysis, different strategies to design lean electrolytes to improve the overall process of Li–S reactions and Li anode protection are discussed.

25 ENERGY STORAGE↗
DOE OSTI2021

FY21 NNSA-IAEC Science Area V, Environmental ISR, Waste Management and Subsurface Science (Final Report)

The FY21 NNSA NA-22 Final Report represents the progress achieved over the past year (FY21) by the research team for Topic Area 3, Waste Management & Subsurface Science (WM3), and Topic Area 7, Radiation and Thermal Effects on Bituminous Rocks (WM7). WM3 and WM7 are part of Science Area V (Subsurface Science and Waste Management) in the NNSA-IAEC Science and Technology Working Group. The project was initiated four years ago (2017) with an MOU agreement between the U.S. National Nuclear Security Administration (NNSA) and the Israel Atomic Energy Commission (IAEC) to evaluate the feasibility of geological subsurface disposal of radioactive waste in Israel. The core WM3 and WM7 teams are comprised of scientists and engineers from Los Alamos National Laboratory, the Geologic Survey of Israel (GSI), and the Nuclear Research Center - Negev (NRCN), with a close collaboration to the teams from Sandia National Laboratory (SNL) and Lawrence Livermore Laboratory (LLNL)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Atomic faulting drives exceptional toughness in low thermal expansion chromium alloys

Endowing functional properties with mechanical responses in traditional metals has been a frontier topic, akin to transforming base metal into gold. Chromium and its alloys, with their functional deficiencies and limited ductility, serve as typical examples. Herein, we report a Cr96Fe4Ge1.3B1 alloy that unifies low thermal expansion (LTE, αl = 1.79 × 10-6 K-1, 200 − 315 K) with exceptional toughness (240.2 J·cm-3). The enhancement in mechanical responses is primarily attributed to layered Cr2B intermetallic precipitates, which ameliorate interfacial cohesion and simultaneously refine the grain structure. The weakened interlayer interactions within the Cr-B layers facilitate the nucleation and movement of numerous tiny stacking faults in precipitates, efficiently alleviating strain energy and resulting in marked work-hardening ability. Additionally, antiferromagnetic fluctuations in the BCC matrix contribute to the unique LTE behavior. This paves the way for the design of high-performance alloys featuring layered-symmetry precipitates.

Yu, Chengyi [University of Science and Technology ↗