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At least 613 records · Page 34

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NASA NTRS2003

A Reactive-Ion Etch for Patterning Piezoelectric Thin Film

Reactive-ion etching (RIE) under conditions described below has been found to be a suitable means for patterning piezoelectric thin films made from such materials as PbZr(1-x)Ti(x)O3 or Ba(x)Sr(1.x)TiO3. In the original application for which this particular RIE process was developed, PbZr(1-x)Ti(x)O3 films 0.5 microns thick are to be sandwiched between Pt electrode layers 0.1 microns thick and Ir electrode layers 0.1 microns thick to form piezoelectric capacitor structures. Such structures are typical of piezoelectric actuators in advanced microelectromechanical systems now under development or planned to be developed in the near future. RIE of PbZr(1-x)Ti(x)O3 is usually considered to involve two major subprocesses: an ion-assisted- etching reaction, and a sputtering subprocess that removes reactive byproducts. RIE is favored over other etching techniques because it offers a potential for a high degree of anisotropy, high-resolution pattern definition, and good process control. However, conventional RIE is not ideal for patterning PbZr(1-x)Ti(x)O3 films at a thickness as great as that in the original intended application. In order to realize the potential benefits mentioned above, it is necessary to optimize process conditions . in particular, the composition of the etching gas and the values of such other process parameters as radio-frequency power, gas pressure, gas-flow rate, and duration of the process. Guidelines for determining optimum conditions can be obtained from experimental determination of etch rates as functions of these parameters. Etch-gas mixtures of BCl3 and Cl2, some also including Ar, have been found to offer a high degree of selectivity as needed for patterning of PbZr(1-x)Ti(x)O3 films on top of Ir electrode layers in thin-film capacitor structures. The selectivity is characterized by a ratio of approx.10:1 (rate of etching PbZr(1-x)Ti(x)O3 divided by rate of etching Ir and IrO(x)). At the time of reporting the information for this article, several experiments on RIE in BCl3 and Cl2 (and sometimes Ar) had demonstrated the 10:1 selectivity ratio, and further experiments to enhance understanding and obtain further guidance for optimizing process conditions were planned.

Yang, Eui-Hyeok↗

NASA NTRS2011

Reactive Oxygen Species on the Early Earth and Survival of Bacteria

An oxygen-rich atmosphere appears to have been a prerequisite for complex, multicellular life to evolve on Earth and possibly elsewhere in the Universe. However it remains unclear how free oxygen first became available on the early Earth. A potentially important, and as yet poorly constrained pathway, is the production of oxygen through the weathering of rocks and release into the near-surface environment. Reactive Oxygen Species (ROS), as precursors to molecular oxygen, are a key step in this process, and may have had a decisive impact on the evolution of life, present and past. ROS are generated from minerals in igneous rocks during hydrolysis of peroxy defects, which consist of pairs of oxygen anions oxidized to the valence state -1 and during (bio) transformations of iron sulphide minerals. ROS are produced and consumed by intracellular and extracellular reactions of Fe, Mn, C, N, and S species. We propose that, despite an overall reducing or neutral oxidation state of the macroenvironment and the absence of free O2 in the atmosphere, organisms on the early Earth had to cope with ROS in their microenvironments. They were thus under evolutionary pressure to develop enzymatic and other defences against the potentially dangerous, even lethal effects of oxygen and its derived ROS. Conversely it appears that microorganisms learned to take advantage of the enormous reactive potential and energy gain provided by nascent oxygen. We investigate how oxygen might be released through weathering. We test microorganisms in contact with rock surfaces and iron sulphides. We model bacteria such as Deionococcus radiodurans and Desulfotomaculum, Moorella and Bacillus species for their ability to grow or survive in the presence of ROS. We examine how early Life might have adapted to oxygen.

Balk, Melikea↗

NASA NTRS2009

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, OH. This is a closed-cycle system that incorporates an electrically heated reactor core module, turbo alternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Bragg-Sitton, Shannon M.↗

NASA NTRS2012

VML 3.0 Reactive Sequencing Objects and Matrix Math Operations for Attitude Profiling

VML (Virtual Machine Language) has been used as the sequencing flight software on over a dozen JPL deep-space missions, most recently flying on GRAIL and JUNO. In conjunction with the NASA SBIR entitled "Reactive Rendezvous and Docking Sequencer", VML version 3.0 has been enhanced to include object-oriented element organization, built-in queuing operations, and sophisticated matrix / vector operations. These improvements allow VML scripts to easily perform much of the work that formerly would have required a great deal of expensive flight software development to realize. Autonomous turning and tracking makes considerable use of new VML features. Profiles generated by flight software are managed using object-oriented VML data constructs executed in discrete time by the VML flight software. VML vector and matrix operations provide the ability to calculate and supply quaternions to the attitude controller flight software which produces torque requests. Using VML-based attitude planning components eliminates flight software development effort, and reduces corresponding costs. In addition, the direct management of the quaternions allows turning and tracking to be tied in with sophisticated high-level VML state machines. These state machines provide autonomous management of spacecraft operations during critical tasks like a hypothetic Mars sample return rendezvous and docking. State machines created for autonomous science observations can also use this sort of attitude planning system, allowing heightened autonomy levels to reduce operations costs. VML state machines cannot be considered merely sequences - they are reactive logic constructs capable of autonomous decision making within a well-defined domain. The state machine approach enabled by VML 3.0 is progressing toward flight capability with a wide array of applicable mission activities.

VML (Virtual Machine Language)↗

NASA NTRS2013

On Spurious Numerics in Solving Reactive Equations

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

Numerics↗

NASA NTRS2015

Preliminary Analysis of Pyrite Reactivity Under Venusian Temperature and Atmosphere

Measurements of Venus surface chemistry suggest a basaltic composition with a predominantly CO2 atmosphere. In order to understand the reactivity of certain possible mineral species on the surface, previous simulation chambers conduct experiments at 1 atmosphere with a simplified CO2 atmosphere. Following this procedure, pyrite (FeS2) samples are used to estimate the reactivity of sulfide minerals under a Venusian atmosphere and climate. Sulfurous gas species have been identified and quantified in the Venusian atmosphere, and sulfurous gas and mineral species are known to be created through volcanism, which is suggested to still occur on the surface of Venus. This experimentation is necessary to constrain reactions that could occur between the surface and atmosphere of Venus to understand terrestrial geology in a thick and hot greenhouse atmosphere. Quantifying this reaction can lead to approximations necessary for further experimentation in more complex environments such as those in the GEER chamber at Glenn Research Center that can simulate pressure along with temperature and a more inclusive and representative Venusian atmosphere.

Venus surface↗

NASA NTRS2018

Decadal Changes in Summertime Reactive Oxidized Nitrogen and Surface Ozone over the Southeast United States

Widespread efforts to abate ozone (O3) smog have significantly reduced emissions of nitrogen oxides (NOx) over the past 2 decades in the Southeast US, a place heavily influenced by both anthropogenic and biogenic emissions. How reactive nitrogen speciation responds to the reduction in NOx emissions in this region remains to be elucidated. Here we exploit aircraft measurements from ICARTT (International Consortium for Atmospheric Research on Transport and Transformation - July-August 2004), SENEX (Southeast Nexus - June-July 2013), and SEAC4RS (Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys - August-September 2013) and long-term ground measurement networks alongside a global chemistry-climate model to examine decadal changes in summertime reactive oxidized nitrogen (RON) and ozone over the Southeast US. We show that our model can reproduce the mean vertical profiles of major RON species and the total (NO (sub y)) in both 2004 and 2013. Among the major RON species, nitric acid (HNO3) is dominant (approximately 42-45 percent), followed by NOx (31 percent), total peroxy nitrates (Sigma PNs; 14 percent), and total alkyl nitrates (Sigma ANs; 9-12 percent) on a regional scale. We find that most RON species, including NOx, Sigma PNs, and HNO3, decline proportionally with decreasing NOx emissions in this region, leading to a similar decline in NO (sub y). This linear response might be in part due to the nearly constant summertime supply of biogenic VOC (Volatile Organic Compounds) emissions in this region. Our model captures the observed relative change in RON and surface ozone from 2004 to 2013. Model sensitivity tests indicate that further reductions of NOx emissions will lead to a continued decline in surface ozone and less frequent high-ozone events.

Li, Jingyi↗

NASA NTRS2019

Effects of radiation on immune system and latent virus reactivation

The purpose of this NCRP commentary is to provide the current state of knowledge on the effects of ionizing radiation on the immune system and on latent herpes virus reactivation to the scientific community and government agencies. Its purpose is to better understand radiation-induced latent virus reactivation, which is possibly an underestimated consequence of ionizing radiation exposure. This activity should involve the radiation research community (academia, industry and regulatory agencies) and government agencies (NASA, DOD, CDC).

Plante, Ianik↗

NASA NTRS2022

Dermatitis during Spaceflight Associated with HSV-1 Reactivation

Human alpha herpesviruses herpes simplex virus (HSV-1) and varicella zoster virus (VZV) establish latency in various cranial nerve ganglia and often reactivate in response to stress-associated immune system dysregulation. Reactivation of Epstein Barr virus (EBV), VZV, HSV-1, and cytomegalovirus (CMV) is typically asymptomatic during spaceflight, though live/infectious virus has been recovered and the shedding rate increases with mission duration. The risk of clinical disease, therefore, may increase for astronauts assigned to extended missions (>180 days). Here, we report, for the first time, a case of HSV-1 skin rash (dermatitis) occurring during long-duration spaceflight. The astronaut reported persistent dermatitis during flight, which was treated onboard with oral antihistamines and topical/oral steroids. No HSV-1 DNA was detected in 6-month pre-mission saliva samples, but on flight day 82, a saliva and rash swab both yielded 4.8 copies/ng DNA and 5.3 × 104 copies/ng DNA, respectively. Post-mission saliva samples continued to have a high infectious HSV-1 load (1.67 × 107 copies/ng DNA). HSV-1 from both rash and saliva samples had 99.9% genotype homology. Additional physiological monitoring, including stress biomarkers (cortisol, dehydroepiandrosterone (DHEA), and salivary amylase), immune markers (adaptive regulatory and inflammatory plasma cytokines), and biochemical profile markers, including vitamin/mineral status and bone metabolism, are also presented for this case. These data highlight an atypical presentation of HSV-1 during spaceflight and underscore the importance of viral screening during clinical evaluations of in-flight dermatitis to determine viral etiology and guide treatment.

Satish K. Mehta↗

NASA NTRSDate not supplied

REACTER: A Versatile Tool for Large-Scale Reactive Molecular Dynamics

Accurately describing reactive events over long length and time scales remains a grand challenge of computational materials science. REACTER is a general protocol for modeling chemical reactions using classical force fields, and is implemented in the popular molecular dynamics software LAMMPS. REACTER has a growing user base and has been used as a model-building tool for a variety of materials, including thermoplastics, thermosets, glassy materials and composites. The method has also been applied to accelerated modeling of reversible chemical reactions, such as the formation of electrochemical components for batteries. Recently, the REACTER protocol has received some major upgrades to enhance its ability to predict when reactions occur and to make it easier to use. Force field parameters can now be automatically assigned to newly created bonds, angles and other interactions. Advanced reaction constraints have also been added, including an Arrhenius constraint to enforce an effective activation energy, a root-mean-square-deviation option for complex geometrical constraints, and a constraint based on the total potential energy of the atoms involved in a reactive site. This potential energy constraint allows for the accurate reproduction of DFT-based tight-binding (DFTB3) predicted bond dissociation curves for mechanically induced bond breaking.

polymer simulations, molecular dynamics↗

NASA NTRSDate not supplied

Investigation of the Reactivity of Calcium Minerals Under Simulated Venus Conditions

The temperature and pressure at the modal radius on Venus is approximately 740K-95.6 bar, while the atmosphere is composed of various volcanic gases such as SO2, OCS, and H2S. Experiments and modeling completed by past researchers have found that these gases can be highly reactive with minerals at Venus conditions. However, the kinetics for many of these reactions have yet to be constrained by experiments. In this project we will research the effects of simulated Venus conditions on the stability of calcium minerals. In particular, we will focus on experiments with exposure to SO2 due to its reactivity with calcium. Additionally, we have selected several minerals that form under different geologic processes to investigate the effects of crystal lattice on kinetics.

S T Port↗

NASA NTRSDate not supplied

Investigation of the Reactivity of Calcium Minerals Under Simulated Venus Conditions

S T Port↗

DOE OSTI2022

Impact of Lanthanide Complexation and Temperature on the Chemical Reactivity of N,N,N',N'-tetraoctyl diglycolamide (TODGA) with the Dodecane Radical Cation

The impact of lanthanide (Ln) metal ion complexation and temperature on the chemical reactivity of N,N,N',N'-tetraoctyl diglycolamide (TODGA) with the dodecane radical cation (RH?+) has been measured by electron pulse radiolysis. Complexation of trivalent neodymium (Nd), gadolinium (Gd), and ytterbium (Yb) by TODGA yielded [Ln(TODGA)3(NO3)3] complexes that exhibited significantly increased reactivity (up to 9.3×) with the RH?+ radical cation, relative to the “free” ligand: k([Ln(TODGA)3(NO3)3] + RH?+) = (8.99 ± 0.93) × 1010, (2.88 ± 0.40) × 1010, and (1.53 ± 0.34) × 1010 M–1 s–1, for Nd(III), Gd(III), and Yb(III), respectively. The kinetic enhancement measured for both ligands exhibited a dependence on atomic number. Arrhenius parameters—specifically activation energies (Ea) and pre-exponential factors (A)—were determined for the reaction of “free” TODGA ligand with the RH?+ radical cation, giving: Ea(TODGA) = 17.43 ± 1.64 kJ mol–1, and A(TODGA) = (1.08 ± 0.02) × 1013 M–1 s–1. This draft manuscript has been prepared in fulfillment of Milestone M4FT-22IN030402024.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

A04-0491 - Reduced Electrolyte Reactivity of Pitch-Carbon Coated Si Nanoparticles for Li-Ion Battery Anodes

Silicon-based anodes for Li-ion batteries (LIB) have the potential to increase the energy density over graphite-based LIB anodes. However, silicon anodes exhibit poor cycle and calendar lifetimes due to mechanical instabilities and high chemical reactivity with the carbonate-based electrolytes that are typically used in LIBs. In this work, we synthesize a pitch-carbon coated silicon nanoparticle composite active material for LIB anodes that exhibits reduced chemical reactivity with the carbonate electrolyte compared to an uncoated silicon anode. Silicon primary particle sizes <10 nm minimize micro-scale mechanical degradation of the anode composite, while conformal coatings of pitch-carbon minimized the parasitic reactions between the silicon and the electrolyte. When matched with a high voltage NMC622 cathode, the pitch-carbon coated Si anode retains -75% of its initial capacity over 1000 cycles. Efforts to increase the areal loading of the pitch-carbon coated silicon anodes to realize real energy density improvements over graphite anodes results in severe mechanical degradation on the electrode level. Developing procedures to engineer the architecture of the composite silicon anode may be a solution to this mechanical challenge.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗

DOE OSTI2023

Sensitivity-Based Reactive Power Dispatch of DERs to Support Transmission Grid During Emergency

This paper proposes a TSO-DSO framework including DER set-point dispatch using sensitivity analysis. We address all three steps of TSO-DSO integration stating by estimating the capability curve of an unbalanced distribution system and then modeling of capability curve on the transmission side grid and estimating the reactive power needed from DSO during emergencies, and ending by dispatching the requested reactive power from TSO. The proposed interaction framework is tested on an IEEE 37-node distribution network connected to IEEE 9 bus transmission system. The simulation shows that using sensitivity-based dispatch would reduce the number of communication signals between DERs and DSO and that can decrease the risk of communication contingency.

Alkhonain, Ahmed↗

DOE OSTI2023

Reactive Power Control Methods for Islanded Operation

As feeder-level microgrid controls begin to incorporate multiple GFM DER and voltage regulation equipment, island reactive power dispatch strategies can be improved. Although Volt-Var Optimization (VVO) control is typical in an Advanced Distribution Management System (ADMS), most microgrid controllers do not apply VVO during island operations. This report investigates reactive power control strategies for feeder-level microgrid operations. It also proposes evaluation metrics that can be applied to analyze the performance improvements of the new microgrid control strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Investigation of Reactive Silver Ink Formula for Reduced Silver Consumption in Silicon Heterojunction Metallization

Silver is the most expensive non-silicon component in photovoltaic cells. This is particularly salient for silicon heterojunction (SHJ) cells, which rely on large quantities of low-temperature silver pastes (LT-SP). SHJ cells would benefit greatly from an industrially scalable metallization process that simultaneously offers low silver consumption, low finger resistivities (<20 μΩ·cm), and low processing temperatures. Printed reactive silver inks (RSI) are an innovative candidate to this end. Furthermore, this work furthers the research on RSI metallization by investigating the impact of ink formula on properties pertinent to SHJ cells, including electrical properties, line width, ink splatter, silver consumption, cell performance, and adhesion. We introduce a scalable, high-throughput flexible needle contact printing approach for metallization that solves many of the issues associated with drop-on-demand printing. The printed silver fingers are characterized using electrical measurements and top-down and cross-sectional microscopy. The best performing ink, consisting of silver acetate, ethylamine, and formic acid, achieved silver fingers with total resistivities of 3.1 μΩ·cm and contact resistivities of 3.2 mΩ·cm 2 when printed at 61 °C. This ink metallized a full-sized 156 mm × 156 mm SHJ cell. This is the first reported data for RSI metallization of a full-sized SHJ cell and shows how an optimized RSI can achieve similar performances to LT-SP while consuming 80–90% less silver.

14 SOLAR ENERGY↗

DOE OSTI2025

Characterization of Fuel-to-Coolant Heat Transfer During Reactivity-Initiated Accidents Using Tightly Coupled Thermal Hydraulics and Fuel Thermomechanics

The reactivity-initiated accident (RIA) is a complex scenario with several tightly interacting physical phenomena. Accurately predicting fuel behavior during these transients is difficult due to limitations in the modeling of fuel-to-coolant heat transfer. Common approaches to simulate RIAs involve standalone calculations using either a fuel performance code or a thermal-hydraulic code. The complex interdependencies of thermal-hydraulic and fuel mechanical behavior suggest that a tight coupling between these codes may provide more accurate predictions of fuel-to-coolant heat transfer and cladding mechanical response. Here, RELAP5-3D and BISON are coupled in this paper to simulate RIAs, and a sensitivity analysis is performed to rank key thermal properties and two-phase heat transfer parameters relevant for fuel-to-coolant heat transfer and cladding failure mechanisms in UO 2 –Zircaloy-4 systems. Gas gap conductance, film boiling heat transfer uncertainty, pulse width, fuel-specific heat capacity, and cladding-specific heat capacity were identified as important parameters. Variations in figures of merit resulting from changes to pulse width and the material thermal properties indicate that time-dependent heat transfer rates are significant for safety-relevant mechanical parameters due to the time dependence of cladding ductility and pellet-cladding mechanical interaction loading. The results suggest that the thermal-hydraulic factors have a nonnegligible influence on the thermomechanical solution and vice versa. Tight coupling of both sets of physics is recommended to improve prediction of fuel behavior during RIAs. Highlights include the following: 1. The RELAP5-3D thermal-hydraulic code and the BISON fuel performance code are tightly coupled for simulation of RIA transients with energy depositions at the Zircaloy-4 cladding failure threshold. 2. Departure from nucleate boiling occurred for all simulated cases. Due to the ductility of fresh fuel, substantial ballooning occurred in most cases. 3. Gas gap conductance, fuel-specific heat capacity, cladding-specific heat capacity, transient pulse width, and film boiling heat transfer were the dominant thermal factors impacting the safety figures of merit at energy depositions.

Critical Heat Flux (CHF)↗