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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Investigation of Solid Electrolyte Interphase Formed on Si Nanoparticle Composite Electrodes Using Hyperpolarized 129 Xe Nuclear Magnetic Resonance Spectroscopy

Solid electrolyte interphase (SEI) plays an important role in determining electrochemical performances of Li-ion batteries. The ideal SEI layer protects the electrolyte from being further reduced on the electrode surface and allows Li-ion diffusion in and out of electrodes without any consumption. However, degradation of the SEI layer over time, which contributes to the thickening of the SEI layer, is a leading pathway for gradual capacity fade. In this study, a hyperpolarized (HP) 129 Xe nuclear magnetic resonance (NMR) technique was applied for the first time to probe changes in porosity and connectivity in Si nanoparticle composite electrodes as a result of the SEI formation. Nanopores are present in nanocomposite electrodes as a result of aggregation of the constituting nanoparticles. The connectivity among nanopores greatly affects the ion transport property of the electrode materials, which has a substantial influence on the overall energy output of Li-ion batteries. Here, information on thickness, uniformity of the SEI layer, and connectivity of the pores in the composite electrodes upon growing SEI was obtained from the analysis of temperature-dependent HP 129 Xe NMR spectra. Such information is useful for gaining a better understanding of the degradation mechanism of SEI. This study demonstrates that HP 129 Xe NMR is a potentially unique tool in probing the porosity and connectivity changes in porous practical electrodes during electrochemical cycling.

25 ENERGY STORAGE↗
DOE OSTI2020

A new soil mixing layer model for simulating conservative solute loss from initially saturated soil to surface runoff

Surface water pollution due to solute loss from soil to surface runoff is a serious threat to the environment, and it is of great significance to predict the solute loss. While soil mixing layer theory has been widely used to predict the solute loss, it has been observed that the conventional soil mixing layer models with constant mixing layer depth underestimate solute concentration in surface runoff, and thus underestimate the solute loss after surface runoff starts. This study introduced a new soil mixing layer model with a new concept that the mixing layer depth increases downward with time after surface runoff occurs. This new concept was implemented by adding a mixing front between the soil mixing layer and its underlying soil layer, which is conceptually similar to the wetting front of soil infiltration given by the Green-Ampt equation. This is equivalent to treating the soil mixing layer as a deforming control volume. A mechanistic explanation for the new model was presented. This study also developed a closed form solution of the new model. The new model was evaluated by simulating five laboratory experiments conducted by two groups of researchers. The first two experiments have ponding water, and consider different drainage and runoff conditions at both early and late runoff times. The other three experiments do not have ponding water, and consider different infiltration conditions at the bottom of soil boxes. Simulation results of the five experiments show that the new model resolves the underestimation problem of conventional soil mixing layer models. The new model is subject to a total of six limits such as that the new model only considers conservative solute. Three limits are related to the assumptions used to derive the closed form solution, and they may be alleviated in a future research as briefly discussed at the end of the paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons

The integration of low-energy states into bottom-up engineered graphene nanoribbons (GNRs) is a robust strategy for realizing materials with tailored electronic band structure for nanoelectronics. Low-energy zero-modes (ZMs) can be introduced into nanographenes (NGs) by creating an imbalance between the two sublattices of graphene. This phenomenon is exemplified by the family of [n]triangulenes (n ϵ $\mathbb{N}$). Here, we demonstrate the synthesis of [3]triangulene-GNRs, a regioregular one-dimensional (1D) chain of [3]triangulenes linked by five-membered rings. Hybridization between ZMs on adjacent [3]triangulenes leads to the emergence of a narrow band gap, E g,exp ~ 0.7 eV, and topological end states that are experimentally verified using scanning tunneling spectroscopy. Tight-binding and first-principles density functional theory calculations within the local density approximation corroborate our experimental observations. Our synthetic design takes advantage of a selective on-surface head-to-tail coupling of monomer building blocks enabling the regioselective synthesis of [3]triangulene-GNRs. Detailed ab initio theory provides insights into the mechanism of on-surface radical polymerization, revealing the pivotal role of Au-C bond formation/breakage in driving selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Surface Roughness in Face Turning of Large-Diameter Parts

The roughness in face turning of large-diameter cylindrical parts is experimentally studied. Parts made of materials that differ in machinability are turned. Recommendations are made regarding the cutting conditions that ensure the elimination of buildup in the face turning of large-diameter parts.

42 ENGINEERING↗
DOE OSTI2017

Superhigh-speed electric motors

Superhigh-speed electric motors, with rotor speed up to 500000 rpm and power up to 100 W, are of interest for surface micromachining. A mathematical model of such motors is developed by means of Ansys Maxwell software. The motors are experimentally studied.

42 ENGINEERING↗
DOE OSTI2023

Understanding the origin of Tabula Rasa-induced defects in n-type Cz c-Si: The case of nitrogen atmosphere

Phosphorus-doped Czochralski-grown silicon (Cz-Si) has been gaining market share in the large-scale manufacturing of high-efficiency silicon (Si)-based photovoltaic (PV) devices thanks to higher carrier lifetimes than their boron-doped counterpart. However, the fabrication of n-type Cz-Si based solar cells often requires process steps with much higher temperatures and longer times than p-type Silicon. Defect interaction with the high temperatures during such processes tend to be detrimental to the n-type Cz-Si carrier lifetime, therefore limiting the final device efficiency. Short thermal anneals before cell processing, known as Tabula Rasa (TR), have been proposed to mitigate the thermally induced lifetime degradation during n-type Cz-Si solar cell fabrication. This work thoroughly investigates the defects responsible for the lifetime degradation after TR in a N 2 atmosphere treatment. We use temperature-injection-dependent lifetime spectroscopy and the thickness variation method to decouple the effects of TR treatment in the bulk and the surface of the n-type Cz-Si wafers. Using the defect parameter contour mapping (DPCM), we identify the defect energy level (E t ) and the capture cross-section ratio (k) of the most likely process-induced defect, which aligns with previously proposed Si vacancy-associated defects. The DPCM reveals that these vacancy-associated defects have a shallow energy level E t - E v ~0.13 eV and very efficient electron capture cross section k~600. Unexpectedly, the bulk degradation due to vacancy defects in the volume of the wafer, is accompanied by a significant increase in the surface recombination as well. Through evaluating the surface recombination velocity temperature- and injection dependence, we show that after TR, at room temperature and for an injection level of 10 15 cm -3 , in a wafer passivated with a-Si:H(i) the surface recombination dominates the overall lifetime response. Here we hypothesize that the near surface vacancy-associated bulk defects play a role in lowering the electron diffusion current into the a-Si:H(i) from the c-Si(n) reducing the field-effect passivation.

14 SOLAR ENERGY↗
DOE OSTI2016

A high-temperature ferromagnetic topological insulating phase by proximity coupling

Topological insulators are insulating materials that display conducting surface states protected by time-reversal symmetry 1 , 2 , wherein electron spins are locked to their momentum. This unique property opens up new opportunities for creating next-generation electronic, spintronic and quantum computation devices 3 , 4 , 5 . Introducing ferromagnetic order into a topological insulator system without compromising its distinctive quantum coherent features could lead to the realization of several predicted physical phenomena 6 , 7 . In particular, achieving robust long-range magnetic order at the surface of the topological insulator at specific locations without introducing spin-scattering centres could open up new possibilities for devices. Here we use spin-polarized neutron reflectivity experiments to demonstrate topologically enhanced interface magnetism by coupling a ferromagnetic insulator (EuS) to a topological insulator (Bi 2 Se 3 ) in a bilayer system. This interfacial ferromagnetism persists up to room temperature, even though the ferromagnetic insulator is known to order ferromagnetically only at low temperatures (<17 K). The magnetism induced at the interface resulting from the large spin–orbit interaction and the spin–momentum locking of the topological insulator surface greatly enhances the magnetic ordering (Curie) temperature of this bilayer system. The ferromagnetism extends ~2 nm into the Bi 2 Se 3 from the interface. Owing to the short-range nature of the ferromagnetic exchange interaction, the time-reversal symmetry is broken only near the surface of a topological insulator, while leaving its bulk states unaffected. The topological magneto-electric response originating in such an engineered topological insulator 2 , 8 could allow efficient manipulation of the magnetization dynamics by an electric field, providing an energy-efficient topological control mechanism for future spin-based technologies

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Nanochannel structures in W enhance radiation tolerance

Developing high performance plasma facing materials (PFMs) is one of the greatest challenges for fusion reactors, because PFMs face unprecedented harsh environments including high flux plasma exposure, fast neutron irradiation and large transmutation gas. Tungsten (W) is considered as one of the most promising PFMs. Rapid accumulation of helium (He) atoms in such environments can lead to the He bubbles nucleation and even the formation of nano- to micro-scale “fuzz” on W surface, which greatly degrade the properties of W itself. The possible ejection of large W particulates into the core plasma can cause plasma instabilities. In this paper, we present a new strategy to address the root causes of bubble nucleation and “fuzz” formation by concurrently releasing He outside of W matrix through the nano-engineered channel structure (nanochannels). Comparing to ordinary bulk W, nanochannel W films with high surface-to-volume ratios are found to not only delay the growth of He bubbles, but also suppress the formation of “fuzz” (less than a half of the “fuzz” thickness formation in bulk W). Finally, molecular dynamic (MD) simulation results elucidate that low vacancy formation energy and high He binding energy in the nanochannel surface effectively help He release and affect He clusters distribution in W during He ion irradiation.

"fuzz"↗
DOE OSTI2019

Pilot Test Remediation of a Fractured Bedrock Aquifer at the Maywood Superfund Site, Maywood, New Jersey - 19217

The U.S. Army Corps of Engineers (USACE) and Cabrera Services are conducting a Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) Pilot Test treatment of a fractured bedrock aquifer at the Formerly Utilized Sites Remedial Action Program (FUSRAP) Maywood Superfund Site (FMSS) located in Maywood, New Jersey (NJ), USA. The Maywood Chemical Company Superfund Site in Bergen County, NJ is listed on the United States Environmental Protection Agency (USEPA) Superfund National Priorities List (NPL). The National Superfund Comprehensive Environmental Response, Compensation, and Liability Information System (CERCLIS) identification number is NJD980529762. The Maywood Chemical Company Superfund Site (hereafter referred to as the FMSS) consists of 92 designated properties in the communities of Maywood, Lodi and Rochelle Park, NJ. These are collectively known as FMSS 'Vicinity Properties' and include property owned by the federal government (the Maywood Interim Storage Site, or MISS); the Stepan Company (former location of the Maywood Chemical Works, or MCW); 62 residential properties; three properties owned by the state or federal government; four municipal properties; and 21 commercial properties. The Stepan Company property includes contaminated buildings and three remediated U.S. Nuclear Regulatory Commission (NRC) licensed burial pits; the MISS also includes a contaminated building. Contamination on the FMSS is being addressed under three separate actions coordinated by the lead regulator USEPA Region 2. The USACE is addressing thorium (Th) and other wastes at the site defined as 'FUSRAP waste' in the Soils and Buildings and Groundwater Records of Decision (ROD) for the FMSS. Stepan Company is addressing other chemical wastes (non-FUSRAP waste) at the FMSS. The Groundwater ROD [1] was signed into agreement by USACE Division Commander in June 2012 and USEPA Region 2 Administrator in July 2012 and presents the selected remedial actions for Operable Unit (OU) 2 groundwater at the MISS and adjacent properties. The selected remedial action is removal of non-radiologically contaminated soils on the MISS containing arsenic, lithium, and benzene with concentrations above cleanup levels, and monitored natural attenuation (MNA) of arsenic, lithium, and benzene in groundwater. In situ treatment of arsenic in the overburden aquifer using oxidation reduction (redox) alteration will also be performed if needed to meet the groundwater cleanup levels after the source soil is removed. The need for in situ treatment will be determined during the Groundwater ROD review at least three to four years after the contaminated source soil removal is completed. The third action addressing non-FUSRAP chemical wastes will be the responsibility of the Stepan Company as a primary responsible party in this action. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Pilot Test Remediation of a Fractured Bedrock Aquifer at the Maywood Superfund Site, Maywood, New Jersey - 20073

The U.S. Army Corps of Engineers (USACE) and Cabrera Services are conducting a Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) Pilot Test treatment of a fractured bedrock aquifer at the Formerly Utilized Sites Remedial Action Program (FUSRAP) Maywood Superfund Site (FMSS) located in Maywood, New Jersey (NJ), USA. The Maywood Chemical Company Superfund Site in Bergen County, NJ is listed on the United States Environmental Protection Agency (USEPA) Superfund National Priorities List (NPL). The National Superfund Comprehensive Environmental Response, Compensation, and Liability Information System (CERCLIS) identification number is NJD980529762. The Maywood Chemical Company Superfund Site (hereafter referred to as the FMSS) consists of 92 designated properties in the communities of Maywood, Lodi and Rochelle Park, NJ. These are collectively known as FMSS 'Vicinity Properties' and include property owned by the federal government (the Maywood Interim Storage Site, or MISS); the Stepan Company (former location of the Maywood Chemical Works, or MCW); 62 residential properties; three properties owned by the state or federal government; four municipal properties; and 21 commercial properties. The Stepan Company property includes contaminated buildings and three remediated U.S. Nuclear Regulatory Commission (NRC) licensed burial pits; the MISS also includes a contaminated building. Contamination on the FMSS is being addressed under three separate actions coordinated by the lead regulator USEPA Region 2. The USACE is addressing thorium (Th) and other wastes at the site defined as 'FUSRAP waste' in the Soils and Buildings and Groundwater Records of Decision (ROD) for the FMSS. Stepan Company is addressing other chemical wastes (non-FUSRAP waste) at the FMSS. The Groundwater ROD [1] was signed into agreement by USACE Division Commander in June 2012 and USEPA Region 2 Administrator in July 2012 and presents the selected remedial actions for Operable Unit (OU) 2 groundwater at the MISS and adjacent properties. The selected remedial action is removal of non-radiologically contaminated soils on the MISS containing arsenic, lithium, and benzene with concentrations above cleanup levels, and monitored natural attenuation (MNA) of arsenic, lithium, and benzene in groundwater. In situ treatment of arsenic in the overburden aquifer using oxidation reduction (redox) alteration will also be performed if needed to meet the groundwater cleanup levels after the source soil is removed. The need for in situ treatment will be determined during the Groundwater ROD review at least three to four years after the contaminated source soil removal is completed. The third action addressing non-FUSRAP chemical wastes will be the responsibility of the Stepan Company as a primary responsible party in this action. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens

Chimeric antigen receptor (CAR) T cells have emerged as a promising class of therapeutic agents, generating remarkable responses in the clinic for a subset of human cancers. One major challenge precluding the wider implementation of CAR therapy is the paucity of tumor-specific antigens. Here, we describe the development of a CAR targeting the tumor-specific isocitrate dehydrogenase 2 (IDH2) with R140Q mutation presented on the cell surface in complex with a common human leukocyte antigen allele, HLA-B*07:02. Engineering of the hinge domain of the CAR, as well as crystal structure-guided optimization of the IDH2 R140Q- HLA-B*07:02-targeting moiety, enhances the sensitivity and specificity of CARs to enable targeting of this HLA-restricted neoantigen. This approach thus holds promise for the development and optimization of immunotherapies specific to other cancer driver mutations that are difficult to target by conventional means.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

ICP etching of GaN microstructures in a Cl 2 –Ar plasma with subnanometer-scale sidewall surface roughness

In this work, substrate temperature, RF power, and ICP power were investigated for their effects on GaN micropillar sidewall roughness and etch characteristics. Elevated substrate temperature was shown to improve the sidewall etch morphology at low RF powers (reduced physical bombardment) and low ICP powers (lower plasma densities). Increased lateral etching is observed with both increased ICP power and substrate temperature, which both act to increase the chemical component of the etch. Etch conditions with a high chemical driving force resulted in faceting along the a-plane on the sidewalls. This faceting produced extremely smooth surfaces with root-meansquare roughness (R q ) as low as 0.20 nm which is comparable to typical epitaxy-ready surfaces and smaller than the a-plane lattice spacing of 0.3186 nm. The smooth surfaces produced in this study enable possibilities for laser facets or for new device structures that require high quality surfaces for GaN regrowth.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Protein Engineered Triblock Polymers Composed of Two SADs: Enhanced Mechanical Properties and Binding Abilities

In this paper, recombinant methods have been used to engineer artificial protein triblock polymers composed of two different self-assembling domains (SADs) bearing one elastin (E) flanked by two cartilage oligomeric matrix protein coiled-coil (C) domains to generate CEC. To understand how the two C domains improve small molecule recognition and the mechanical integrity of CEC, we have constructed C L44A EC L44A , which bears an impaired C L44A domain that is unstructured as a negative control. The CEC triblock polymer demonstrates increased small molecule binding and ideal elastic behavior for hydrogel formation. The negative control C L44A EC L44A does not exhibit binding to small molecule and is inelastic at lower temperatures, affirming the favorable role of C domain and its helical conformation. While both CEC and C L44A EC L44A assemble into micelles, CEC is more densely packed with C domains on the surface enabling the development of networks leading to hydrogel formation. Finally, such protein engineered triblock copolymers capable of forming robust hydrogels hold tremendous promise for biomedical applications in drug delivery and tissue engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self‐Assembled Monolayers

Adsorbing strong electron donors or acceptors on semiconducting surfaces induces band bending, whose extent and magnitude are strongly dependent on the doping concentration of the semiconductor. This study applies hybrid density‐functional theory calculations together with the recently developed charge reservoir electrostatic sheet technique to account for charge transfer from the bulk of the semiconductor to the interface. This study further investigates the impact of surface‐functionalization with specifically tailored self‐assembled monolayers (SAMs). For the example of three chemically‐similar SAMs, that all bond to the ZnO surface via pyridine docking groups, it is shown that the SAMs introduce shallow or deep donor levels that pin the band bending at the position of the SAM's highest occupied molecular orbital. In this way, the magnitude of the induced band bending can be controlled by the type of SAM, to a point where the doping‐concentration dependence is completely eliminated.

Hofmann, Oliver T.↗
DOE OSTI2023

Device architectures having engineered stresses

The present disclosure relates to a method that includes depositing a spalling layer onto a surface that includes a substrate, depositing a device comprising a III-V material onto the spalling layer, resulting in the forming of a stack, and dividing the stack substantially at a plane positioned within the spalling layer to form a first portion that includes the substrate and a second portion that includes the PV device, where the spalling layer includes a first layer configured to provide a compressive stress and a second layer configured to provide a tensile stress, the first layer and the second layer form an interface, the dividing occurs as result of the interface, and the compressive stress and the tensile stress are strain-balanced so that a total strain within the spalling layer is approximately zero.

Steiner, Myles Aaron↗
DOE OSTI2020

CONTROLLED END GAS AUTO IGNITION WITH EXHAUST GAS RECIRCULATION ON A STOICHIOMETRIC, SPARK IGNITED, NATURAL GAS ENGINE

The goal of this study is to address fundamental limitations to achieving diesel-like efficiencies in heavy duty on-highway natural gas (NG) engines. Engine knock and misfire are barriers to pathways leading to higher efficiency engines. This study explores enabling technologies for development of high efficiency stoichiometric, spark ignited, natural gas engines. These include design strategies for fast and stable combustion and higher dilution tolerance. Additionally, advanced control methodologies are implemented to maintain stable operation between knock and misfire limits. To implement controlled end- gas autoignition (C-EGAI) strategies a Combustion Intensity Metric (CIM) is used for ignition control with the use of a Woodward large engine control module (LECM). Tests were conducted using a single cylinder, variable compression ratio, cooperative fuel research (CFR) engine with baseline conditions of 900 RPM, engine load of 800 kPa indicated mean effective pressure (IMEP), and stoichiometric air/fuel ratio. Exhaust gas recirculation (EGR) tests were performed using a custom EGR system that simulates a high pressure EGR loop and can provide a range of EGR rates from 0 to 40%. The experimental measurements included the variance of EGR rate, compression ratio, engine speed, IMEP, and CIM. These five variables were optimized through a Modified Box- Benken design Surface Response Method (RSM), with brake efficiency as the merit function. A positive linear correlation between CIM and f-EGAI was identified. Consequently, CIM was used as the feedback control parameter for C-EGAI. As such, implementation of C-EGAI effectively allowed for the utilization of high EGR rates and CRs, controlling combustion between a narrower gap between knock and lean limits. The change from fixed to parametric ignition timing with CIM targeted select values of f-EGAI with an average coefficient of variance (COV) of peak pressure of 5.4. The RSM efficiency optimization concluded with operational conditions of 1080 RPM, 1150 kPa IMEP, 10.55:1 compression ratio, and 17.8% EGR rate with a brake efficiency of 21.3%. At this optimized point of peak performance, a f-EGAI for C-EGAI was observed at 34.1% heat release due to auto ignition, a knock onset crank angle value of 10.3° aTDC and ignition timing of - 24.7° aTDC. This work has demonstrated that combustion at a fixed f-EGAI can be maintained through advanced ignition control of CIM without experiencing heavy knocking events.

Cooperative Fuel Research Engine, Auto Ignition, E↗
DOE OSTI2018

Super Subwavelength Guiding and Rejecting of Terahertz Spoof SPPs Enabled by Planar Plasmonic Waveguides and Notch Filters Based on Spiral-Shaped Units

In this study, we numerically simulate novel planar plasmonic waveguides and notch filters with excellent guiding and rejection of terahertz (THz) waves with super subwavelength confinement. Our design is based on spoof surface plasmon polaritons-surface plasmon polaritons with a frequency that has been tuned using patterned conductive surfaces. We find that by using patterns of periodically arranged spiral-shaped units, the dispersion characteristics can be engineered at will by tuning the parameters of the spirals. We find that the resulting plasmonic waveguides have much lower asymptotic frequencies and much tighter terahertz field confinement when compared with conventional rectangular-grooved plasmonic waveguides. We show it is possible to design a structure with lateral dimensions that are only 25% the size of the conventional spoof surface plasmon polariton waveguides but with the same asymptotic frequency. Finally, we combined this architecture with broadband couplers to design an ultrawideband low-pass filter with sharp roll-off (cut-off frequency at 1.29 THz) and low insertion loss (<;3 dB). Furthermore, by introducing double ring resonators based on spiral-shaped units, a planar plasmonic notch filter with rejection of more than 17 dB between 0.97 and 0.99 THz is demonstrated. Finally, the proposed waveguides and notch filters may have great potential applications in the promising terahertz integrated plasmonic circuits and systems.

42 ENGINEERING↗