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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Note: Ultra-low birefringence dodecagonal vacuum glass cell

We report on an ultra-low birefringence dodecagonal glass cell for ultra-high vacuum applications. The epoxy-bonded trapezoidal windows of the cell are made of SF57 glass, which exhibits a very low stress-induced birefringence. We characterize the birefringence Δn of each window with the cell under vacuum conditions, obtaining values around 10{sup −8}. After baking the cell at 150 °C, we reach a pressure below 10{sup −10} mbar. In addition, each window is antireflection coated on both sides, which is highly desirable for quantum optics experiments and precision measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The CUNY Energy Institute Electrical Energy Storage Development for Grid Applications (Final report)

1. Project Objectives: The objectives of the project are to elucidate science issues intrinsic to high energy density electricity storage (battery) systems for smart-grid applications, research improvements in such systems to enable scale-up to grid-scale and demonstrate a large 200 kWh battery to facilitate transfer of the technology to industry. 2. Background: Complex and difficult to control interfacial phenomena are intrinsic to high energy density electrical energy storage systems, since they are typically operated far from equilibrium. One example of such phenomena is the formation of dendrites. Such dendrites occur on battery electrodes as they cycle, and can lead to internal short circuits, reducing cycle life. An improved understanding of the formation of dendrites and their control can improve the cycle life and safety of many energy storage systems, including rechargeable lithium and zinc batteries. Another area where improved understanding is desirable is the application of ionic liquids as electrolytes in energy storage systems. An ionic liquid is typically thought of as a material that is fully ionized (consisting only of anions and cations) and is fluid at or near room temperature. Some features of ionic liquids include a generally high thermal stability (up to 450°C), a high electrochemical window (up to 6 V) and relatively high intrinsic conductivities. Such features make them attractive as battery or capacitor electrolytes, and may enable batteries which are safer (due to the good thermal stability) and of much higher energy density (due to the higher voltage electrode materials which may be employed) than state of the art secondary (rechargeable) batteries. Of particular interest is the use of such liquids as electrolytes in metal air batteries, where energy densities on the order of 1-2,000 Wh/kg are possible; this is 5-10 times that of existing state of the art lithium battery technology. The Energy Institute has been engaged in the development of flow-assisted nickel zinc battery technology. This technology has the promise of enabling low-cost (<$250/kWh) energy storage, while overcoming the historical poor cycle-life drawback. To date, the results have been promising, with a cycle life of 1,500 cycles demonstrated in small laboratory cells – an improvement of approximately 400%. Prior state of the art nickel zinc batteries have only demonstrated about 400 cycles to failure.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Activating Layered Metal Oxide Nanomaterials via Structural Engineering as Biodegradable Nanoagents for Photothermal Cancer Therapy

Layered metal oxides including MoO 3 and WO 3 have been widely explored for biological applications owing to their excellent biocompatibility, low toxicity, and easy preparation. However, they normally exhibit weak or negligible near-infrared (NIR) absorption and thus are inefficient for photo-induced biomedical applications. Herein, the structural engineering of layered MoO 3 and WO 3 nanostructures is first reported to activate their NIR-II absorption for efficient photothermal cancer therapy in the NIR-II window. White-colored micrometre-long MoO 3 nanobelts are transformed into blue-colored short, thin, defective, interlayer gap-expanded MoO 3–x nanobelts with a strong NIR-II absorption via the simple lithium treatment. The blue MoO 3–x nanobelts exhibit a large extinction coefficient of 18.2 L g –1 cm –1 and high photothermal conversion efficiency of 46.9% at 1064 nm. After surface modification, the MoO 3–x nanobelts can be used as a robust nanoagent for photoacoustic imaging-guided photothermal therapy to achieve efficient cancer cell ablation and tumor eradication under irradiation by a 1064 nm laser. Importantly, the biodegradable MoO 3–x nanobelts can be rapidly degraded and excreted from body. We report the study highlights that the structural engineering of layered metal oxides is a powerful strategy to tune their properties and thus boost their performances in given applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Single‐Ion Conducting Borate Network Polymer as a Viable Quasi‐Solid Electrolyte for Lithium Metal Batteries

Abstract Lithium‐ion batteries have remained a state‐of‐the‐art electrochemical energy storage technology for decades now, but their energy densities are limited by electrode materials and conventional liquid electrolytes can pose significant safety concerns. Lithium metal batteries featuring Li metal anodes, solid polymer electrolytes, and high‐voltage cathodes represent promising candidates for next‐generation devices exhibiting improved power and safety, but such solid polymer electrolytes generally do not exhibit the required excellent electrochemical properties and thermal stability in tandem. Here, an interpenetrating network polymer with weakly coordinating anion nodes that functions as a high‐performing single‐ion conducting electrolyte in the presence of minimal plasticizer, with a wide electrochemical stability window, a high room‐temperature conductivity of 1.5 × 10 −4 S cm −1 , and exceptional selectivity for Li‐ion conduction ( t Li+ = 0.95) is reported. Importantly, this material is also flame retardant and highly stable in contact with lithium metal. Significantly, a lithium metal battery prototype containing this quasi‐solid electrolyte is shown to outperform a conventional battery featuring a polymer electrolyte.

Shin, Dong‐Myeong↗
DOE OSTI2024

Straintronics with single-layer MoS 2 : A quantum Monte Carlo study

Using state-of-the-art quantum Monte Carlo (QMC) methods, we study straintronic properties of a single MoS 2 monolayer. 2D MoS 2 is a quintessential straintronic material for which many experiments have been performed. First, we determine the equilibrium atomic structure which is not known experimentally and is strictly needed to correctly determine the straintronic properties. That enables us to precisely analyze the quasiparticle band gaps for any applied biaxial strain, which we describe by a bivariate paraboloid function of lattice constant and internal structural parameter. Using the fixed-node QMC calculations fitted by analytical formulas, we localize the following excited state crossings between the direct, K → K , and indirect Γ → X and K → K /2 excitations. Based on this highly accurate many-body treatment, we predict a gauge factor of 136 meV/% for the K → K transition and a fairly narrow window of ≈ 2.8 % from compressive to mildly tensile strains, accounting for only ≈ 0.3 eV band gap change maintaining the direct character of the gap. Consequently, we suggest that, compared to other 2D materials, such as phosphorene, there is only a limited straintronic tuneability in this material often studied for its straintronic properties. QMC results are compared to results of standard DFT modeling, which reveal insights into the corresponding inaccuracies and therefore open a window for educated use of rapid DFT approaches. Published by the American Physical Society 2024

Huang, Y.↗
DOE OSTI2017

Porous Carbon/CeO2 Nanoparticles Hybrid Material for High-Capacity Super-Capacitors

The increasing demand for energy storage devices has propelled research for developing efficient supercapacitors (SC) with long cycle life and ultrahigh energy density. Carbon-based materials are commonly used as electrode materials for SC. Herein, we report a new approach to improve the SC performance utilizing a Porous Carbon/Cerium Oxide nanoparticle (PC-CON) hybrid as electrode material synthesized via a low temperature hydrothermal method. Through this approach, charges can be stored not only via electrochemical double layer capacitance (EDLC) from PC but also through pseudo-capacitive effect from CeO2 nanoparticles (NPs). The electrode-electrolyte interaction due to the electrochemical properties of the electrolyte provides a enhanced voltage window for the SC. Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS), and X-Ray Diffraction (XRD) measurements were used for the characterization of this PC/CeO2 hybrid material system. The testing results have shown that a maximum of 500% higher specific capacitance could be obtained using PC/CeO2 instead of using PC only.

Kim, Hoejin↗
DOE OSTI2023

Improved catalytic activity of Mo x Ni y Al z thin films as electrocatalyst for hydrogen evolution reaction in alkaline media

In this work, we report activities of Mo x Ni y X z (where X is Al, Co, Cr, Cu, Fe, W)-based electrocatalysts for hydrogen evolution reaction (HER) in a 1 M NaOH solution. Mo x Ni y X z thin film electrocatslysts were prepared by magentron sputtering at 25°C and 800°C and characterized by scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) analyzer and X-ray diffraction (XRD) analysis. Here, the catalytic activity of electrocatalyst was studied by cyclic voltammetry and electrochemical impedance spectroscopy. The electrocatalyst based on Mo 80 Ni 5 Al 15 (800°C) shows the best value of the overpotential (-181 mV) for HER from all tested ternary systems. XRD analysis indicates that HER activity only Mo 80 Ni 5 Al 15 thin films prepared at 800°C contained fcc phase. Other less active composition contained only bcc phase. The results obtained from impedance spectroscopy are consistent with the results from cyclic voltammetry. The stability of the prepared catalyst was studied by chronoamperometric analysis. The results from chronoamperometry show that HER activity of Mo 80 Ni 5 Al 15 prepared at 800°C, after very slight initial activity decrease, stays constant, while activity of Ni catalyst decreased almost twice in measured time window. Since Ni is commonly used industrial catalyst, Mo 80 Ni 5 Al 15 based alloy could be more attractive catalyst material for alkaline electrolyzers.

08 HYDROGEN↗
DOE OSTI2022

Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices

Polarizable nanoparticles are of interest in materials science because of their rich and complex phase behavior that can be used to engineer nanostructured materials with long-range crystalline order. To understand and rationally navigate the design space of polarizable nanoparticles for self-assembling highly ordered superlattices, we developed a coarse-grained computational model to describe the nanoparticle-nanoparticle interactions in implicit solvent and employ the computationally efficient image method to model many-body polarization interactions. We conducted high-throughput virtual screening over a five-dimensional particle design space spanned by temperature, particle size, particle charge, particle dielectric, and solvent dielectric using enhanced sampling molecular dynamics calculations within an active learning framework to efficiently map out the regions of thermodynamic stability of the self-assembled aggregates. We validate our predictions in comparisons against small angle x-ray scattering measurements of gold nanoparticles surface functionalized with metal chalcogenide ligands. Lastly, we use our validated phase maps to computationally design switchable nanostructured materials capable of triggered assembly and disassembly as a function of temperature and solvent dielectric with potential applications as sensors, smart windows, optoelectronic devices, and in medical diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Layer-by-layer charging in non-volatile memory devices using embedded sub-2 nm platinum nanoparticles

In this work, we demonstrate multi-level operation of a non-volatile memory metal oxide semiconductor capacitor by controlled layer-by-layer charging of platinum nanoparticle (PtNP) floating gate devices with defined gate voltage bias ranges. The device consists of two layers of ultra-fine, sub-2 nm PtNPs integrated between Al{sub 2}O{sub 3} tunneling and separation layers. PtNP size and interparticle distance were varied to control the particle self-capacitance and associated Coulomb charging energy. Likewise, the tunneling layer thicknesses were also varied to control electron tunneling to the first and second PtNP layers. The final device configuration with optimal charging behavior and multi-level programming was attained with a 3 nm Al{sub 2}O{sub 3} initial tunneling layer, initial PtNP layer with particle size 0.54 ± 0.12 nm and interparticle distance 4.65 ± 2.09 nm, 3 nm Al{sub 2}O{sub 3} layer to separate the PtNP layers, and second particle layer with 1.11 ± 0.28 nm PtNP size and interparticle distance 2.75 ± 1.05 nm. In this device, the memory window of the first PtNP layer saturated over a programming bias range of 7 V to 14 V, after which the second PtNP layer starts charging, exhibiting a multi-step memory window with layer-by-layer charging.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modeling of the metal–insulator transition temperature in alio-valently doped VO 2 through symbolic regression

The correlated semiconductor vanadium dioxide (VO 2 ) exhibits an insulator–metal transition (IMT) near room temperature, which is of interest in various device applications. Precise IMT temperature control is crucial to determine the use cases across technologies such as thermochromic windows, actuators for robots or neuronal oscillators. Doping the cation or anion sites can modulate the IMT by several tens of degrees and control hysteresis. However, modeling the effects of control parameters (e.g., doping concentration, type of dopants) is challenging due to complex experimental procedures and limited data, hindering the use of traditional data-driven machine learning approaches. Symbolic regression (SR) can bridge this gap by identifying nonlinear expressions connecting key input parameters to target properties, even with small data sets. In this work, we develop SR models to capture the IMT trends in VO 2 influenced by different dopant parameters. Using experimental data from the literature, our study reveals a dual nature of the IMT temperature with varying tungsten (W) doping concentrations. The symbolic model captures data trends and accounts for experimental variability, providing a complementary approach to first-principles calculations. Our feature-driven analysis across a broader class of dopants informs selectivity and provides qualitative insights into tuning phase transition properties valuable for neuromorphic computing and thermochromic windows.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Metrology of Time-Domain Soft X-Ray Attosecond Pulses and Reevaluation of Pulse Durations of Three Recent Experiments

Attosecond pulses in the soft x-ray (SXR) to water-window energy region offer the tools for creating and studying target-specific localized inner-shell electrons or holes in materials, enabling monitoring or controlling charge and energy flows in a dynamic system on attosecond timescales. Recently, a number of laboratories have reported generation of continuum harmonics in the hundred-electron-volt to kilovolt region with few-cycle long-wavelength mid-infrared lasers. These harmonics have the bandwidth to support pulses with durations of a few to a few-ten attoseconds. But harmonics generated in a gas medium have attochirps that cannot be fully compensated by materials over a broad spectral range; thus, realistically what are the typical shortest attosecond pulses that one can generate? To answer this question, it is essential that the temporal attosecond pulses be accurately characterized. By reanalyzing the soft x-ray attosecond metrology reported in three recent experiments using a newly developed broadband phase retrieval algorithm, we demonstrate here that the generated attosecond pulses in the first two papers have durations of about 60 as, longer than what they have reported. Similarly, the duration from the third experiment is retrieved to be about half of the 322-as upper limit cited in that work. We also introduce the autocorrelation (AC) of the streaking spectrogram. By comparing the ACs from the experiments and from the retrieved SXR pulses, the accuracy of the retrieved results can be directly visualized. Our retrieval method is fast and accurate, and it shall provide a powerful tool for the metrology of the emerging few-ten-attosecond pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Design and fabrication of a 30 T superconducting solenoid using overpressure processed Bi2212 round wire

High field superconducting magnets are used in particle colliders, fusion energy devices, and spectrometers for medical imaging and advanced materials research. Magnets capable of generating fields of 20-30 T are needed by future accelerator facilities. A 20-30 T magnet will require the use of high-temperature superconductors (HTS) and therefore the challenges of high field HTS magnet development need to be addressed. Superconducting Bi 2 Sr 2 CaCu 2 O x (Bi2212) conductors fabricated by the oxide-powder-in-tube (OPIT) technique have demonstrated the capability to carry large critical current density of 10 5 A/cm 2 at 4.2 K and in magnetic fields up to 45 T. Available in round wire multi-filamentary form, Bi2212 may allow fabrication of 20-50 T superconducting magnets. Until recently the performance of Bi2212 has been limited by challenges in realizing high current densities (J c ) in long lengths. This problem now is solved by the National High Magnetic Field Lab using an overpressure (OP) processing technique, which uses external pressure to process the conductor. OP processing also helps remove the ceramic leakage that results when Bi-2212 liquid leaks out from the sheath material and reacts with insulation, coil forms, and flanges. Significant advances have also been achieved in developing novel insulation materials (TiO 2 coating) and Ag-Al sheath materials that have higher mechanical strengths than Ag-0.2wt.% Mg, developing heat treatment approaches to broadening the maximum process temperature window, and developing high-strength, mechanical reinforced Bi-2212 cables. In the Phase I work, we leveraged these new opportunities to prototype overpressure processed solenoids and test them in background fields of up to 14 T. Additionally a design of a fully superconducting 30 T solenoid was produced. This work in conjunction with the future path outlined in the Phase II proposal would provide a major step toward qualifying Bi2212 technology for use in high-field accelerator magnets. Additionally, the performance parameters match key requirements of a final muon beam cooling solenoid. This technology will also be of interest to high-field NMR manufacturers.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Results of thermal test of metallic molybdenum disk target and fast-acting valve testing

This report describes the irradiation conditions for thermal testing of helium-cooled metallic disk targets that was conducted on March 9, 2016, at the Argonne National Laboratory electron linac. The four disks in this irradiation were pressed and sintered by Oak Ridge National Laboratory from molybdenum metal powder. Two of those disks were instrumented with thermocouples. Also reported are results of testing a fast-acting-valve system, which was designed to protect the accelerator in case of a target-window failure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Explore the Techno-Economic Viability of Using Large-Scale Additive Manufacturing (AM) For High-Performance Windows

Use of 3D printing, or additive manufacturing (AM) technology, in window design and construction is an under-explored area of research. Given the rapid advancements in AM technology and the potential for AM to address significant challenges associated with window design and manufacturing, there was a need to explore the feasibility of using AM technology. Alcoa’s Kawneer (Alcoa Building and Construction Systems) partnered with Oak Ridge National Laboratory’s (ORNL) Manufacturing Demonstration Facility (MDF) to explore the technical and commercial viability of large-scale 3D printing technologies with Kawneer’s AM window design. The project combined Alcoa/Kawneer’s design and expertise with ORNL’s equipment capability to create and study the world’s first 3D printed window using Big Area Additive Manufacturing (BAAM) technology. The results show that AM is useful for creating custom window shapes and sizes. With AM, more efficient windows can be made by sealing the glass pane into the printed frame during the printing process. In addition to energy savings, the use of AM reduces the manual labor required to produce custom windows.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Designing Glass Panels for Economy and Reliability

Analytical method determines probability of failure of rectangular glass plates subjected to uniformly distributed loads such as those from wind, earthquake, snow, and deadweight. Developed as aid in design of protective glass covers for solar-cell arrays and solar collectors, method is also useful in estimating the reliability of large windows in buildings exposed to high winds and is adapted to nonlinear stress analysis of simply supported plates of any elastic material.

Moore, D. M.↗
DOE OSTI2017

Calculations vs. Measurements for Remnant Dose Rates from SNS Spent Structures

The Spallation Neutron Source (SNS) in Oak Ridge, Tennessee, is an accelerator driven neutron scattering facility for materials research. Presently SNS is capable to operate at 1.4 MW proton beam power incident on a mercury target with a proton beam energy of 1 GeV and 60 Hz repetition rate. SNS target system components are periodically replaced because they reach their end-of-life due to radiation induced material damage. Target vessel, which houses mercury target, is exchanged about two-three times per year and the proton beam window (PBW) is exchanged every two – three years.Each spent structure that leaves the SNS site requires supporting documentation with radionuclide inventory and dose rate prediction for the time of the transportation. Neutronics analyses are performed, assuming realistic irradiation history and decay case to ensure that the container/package, housing the structure, is compliant with the waste management regulations. Analyses are complex due to geometry, multi-code usage and following data treatment.To validate analyses, measurements of dose rates from the spent target vessel # 13 and PBW module #5 were performed. Neutronics analyses were performed to calculate residual dose rates from both structures for the time of measurements.

Popova, Irina I.↗
DOE OSTI2016

Analysis of an Actively Cooled Window for High Power Helicon Plasma Source

The development of the next generation of magnetically confined fusion facilities towards commercial fusion power will depend on an increased understanding of plasma material interactions (PMI). Plasma facing components in future facilities such as a Fusion Nuclear Science Facility (FSNF) or DEMO will experience high heat fluxes, high energy neutron fluence, and helium and hydrogen isotope permeation. This combination of environmental effects is unique to the fusion environment, and research and development in the field of PMI will require integrated facilities that can provide prototypical conditions. Particularly, facilities are required that will simulate conditions in the first wall and divertor regions. One such proposed facility is Materials Plasma Exposure experiment (MPEX). (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Highly tunable band inversion in AB 2 X 4 (A=Ge, Sn, Pb; B=As, Sb, Bi; X=Se, Te) compounds

Topological materials have been discovered so far largely by searching for existing compounds in crystallographic databases, but there are potentially new topological materials with desirable features that have not been synthesized. One of the desirable features is high tunability resulting from the band inversion with a very small direct band gap, which can be tuned by changes in pressure or strain to induce a topological phase transition. Here, using density-functional theory (DFT) calculations, we have studied the septuple layered AB 2 X 4 series compounds, where A=(Ge, Sn and Pb), B=(As, Sb and Bi), and X=(Se and Te). With the DFT thermodynamic stability validated by the already-reported compounds in these series, we predict stable Se compounds, which are not found in crystallographic database. Among them, we find that GeBi 2 Se 4 and GeSb 2 Se 4 having a small direct band gap at the Z point are very close to a strong topological insulator, which can be tuned by a moderate pressure to induce the band inversion. Importantly, the topological features with the small direct band gap are well isolated in both momentum and energy windows, which offers high tunability for studying the topological phase transition.

36 MATERIALS SCIENCE↗