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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Formation of field-induced breakdown precursors on metallic electrode surfaces

Understanding the underlying factors responsible for higher-than-anticipated local field enhancements required to trigger vacuum breakdown on pristine metal surfaces is crucial for the development of devices capable of withstanding intense operational fields. In this study, we investigate the behavior of nominally flat copper electrode surfaces exposed to electric fields of hundreds of MV/m. Our novel approach considers curvature-driven diffusion processes to elucidate the formation of sharp breakdown precursors. To do so, we develop a mesoscale finite element model that accounts for driving forces arising from both electrostatic and surface-tension-induced contributions to the free energy. Our findings reveal a dual influence: surface tension tends to mitigate local curvature, while the electric field drives mass transport toward regions of high local field density. This phenomenon can trigger the growth of sharper protrusions, ultimately leading to a rapid enhancement of local fields and, consequently, to a runaway growth instability. We delineate supercritical and subcritical regimes across a range of initial surface roughness. Our numerical results are in qualitative agreement with experimentally reported data, indicating the potential practical relevance of field-driven diffusion in the formation of breakdown precursors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Constraining the Reaction Rate of Criegee Intermediates with Carboxylic Acids during the Multiphase Ozonolysis of Aerosolized Alkenes

Criegee intermediates (CIs) are central to the ozonolysis of unsaturated organic compounds, controlling the formation of small fragmentation reaction products and higher molecular weight oligomeric compounds through competing unimolecular and bimolecular pathways. In particular, the reaction of thermalized CI with carboxylic acids (RCOOH) to produce oligomeric α-acyloxyalkyl hydroperoxides (AAHPs) is of interest to the chemical transformation of organic compounds in the atmosphere. In the gas phase, the CI + RCOOH reaction proceeds at supercollisional rates, consistent with a barrierless reaction mechanism. However, the rate of this reaction in condensed phases remains uncertain. Here, we report the results of aerosol flow tube studies of the ozonolysis of submicron organic aerosol containing mixtures of an internal n-alkene (Z-9-tricosene, tri) and a saturated acid (2-hexyldecanoic acid, HDA). The decay of the reactants and formation of reaction products are monitored using atmospheric pressure chemical ionization mass spectrometry (APCI–MS). A 6-fold decrease in the reactive uptake of ozone is observed with increasing acid concentration, consistent with a previous study using alcohol additives. The decay of HDA with ozone exposure shows that HDA scavenges CIs at rates comparable to competing unimolecular pathways involving CIs. The decay kinetics of HDA are analyzed using a simple kinetic model in order to constrain the ratio of the CI + RCOOH and unimolecular CI rate constants. Empirical fitting to this model, combined with theoretical estimates of the unimolecular loss rate, yields a CI + RCOOH rate constant of 1.85 ± 0.27 × 10 –19 cm 3 molec –1 s –1 , which is six orders of magnitude slower than the expected diffusion limit in a liquid organic matrix. Stochastic kinetic simulations are conducted with different values of the CI + RCOOH rate constant to validate this result and show that the diffusion-limited rate is indeed much too rapid to reproduce the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Diversity-oriented synthesis of polymer membranes with ion solvation cages

Microporous polymers feature shape-persistent free volume elements (FVEs), which are permeated by small molecules and ions when used as membranes for chemical separations, water purification, fuel cells, and batteries. It remains a significant challenge to identify FVEs with analyte specificity, due to difficulties in generating microporous polymer libraries with sufficient diversity for screening their properties. Here, we describe a diversity-oriented synthetic (DOS) strategy for microporous polymer membranes from which we identified those whose FVEs serve as solid solvation cages for lithium ions (Li + ). Furthermore, key elements of our strategy included diversification of bis(catechol)-type monomers via multi-component Mannich reactions to introduce Li+-coordinating functionality within individual FVEs, topology-enforcing polymerizations for generating macromolecular skeletal diversity for networking FVEs into different pore architectures, and several classes of on-polymer reactions for diversifying pore geometries and dielectric properties. Lead candidate polymer membranes featuring explicit ion solvation cages exhibited both higher ionic conductivity and higher cation transference number than control membranes where FVEs were aspecific, which indicates conventional bounds for membrane permeability and selectivity for ion transport can be overcome.4 These advantages are tied to enhanced Li + partitioning from the electrolyte when the cages are present, higher diffusion barriers for anions within the pores, and network-enforced restrictions on the number of solvent molecules bound to Li+ by comparison to the bulk electrolyte, which reduces the effective mass of the working ion. Such membranes show promise as anode-stabilizing interlayers in high-voltage lithium-metal batteries for electric mobility.

42 ENGINEERING↗
DOE OSTI2025

Compact Absorber Technology Leads to Significant Reduction in the Cost of Point Source CO 2 Capture

The size of columns in traditional absorption-based processes for CO 2 capture contributes significantly to the overall capital cost. A demonstrated method to reduce the cost of point source CO 2 capture, focusing on reducing the absorber height by increasing the liquid-to-gas reaction contact area and decreasing the CO 2 diffusion resistance without increasing gas-side pressure drop is presented along with techno-economic analysis results. Bench-scale tests on the unique Compact Absorber showed overall CO 2 mass transfer enhancement of varying degrees compared to a traditional packed column for similar process conditions, demonstrating that a 60+% reduction in size of a typical post-combustion absorber with a packing height of 70-100 ft and total height of 150-180 ft can be achieved. The techno-economic analysis showed significant cost reductions when the Compact Absorber is combined with other transformative aspects of the University of Kentucky Institute for Decarbonization and Energy Advancement point source CO 2 capture process compared to the U.S. Department of Energy National Energy Technology Laboratory pertinent reference case for pulverized coal plants with CO 2 capture. Here, a levelized cost of electricity excluding CO 2 transportation and storage of $\$95.6$/MWh was estimated, which is a 9% reduction, with a total capital cost contribution of $45/MWh, which is a 12% reduction. Additionally, a breakeven CO 2 sales price also referred to as the cost of CO 2 capture, of $36.70/tonne was estimated when the UK hindered primary amine solvent is used, which is a 20% reduction compared to the reference case.

CO2 capture↗
DOE OSTI2026

Impact of Annealing on Superconducting Properties of Tantalum Thin Films

The pursuit for higher-coherence superconducting qubits has led to the adoption of new materials and innovative fabrication techniques. Among the commonly used superconducting materials, tantalum-based or tantalum-capped superconducting qubits have demonstrated the longest lifetimes, outperforming niobium devices even in the presence of their native oxides. Given the losses introduced by the surface oxide, one method to further improve performance is to reduce or eliminate the native oxide on tantalum through UHV annealing. In this work, we examine the effect of dissolved oxygen as a function of annealing temperature on the superconducting properties of tantalum thin films. Dissolved oxygen is quantified using atom probe tomography (APT) and secondary ion mass spectrometry (TOF-SIMS) and correlated with electromagnetic transport measurements performed using a Physical Property Measurement System (PPMS). This study observes that annealing decomposes the native oxide and drives oxygen diffusion into the film matrix. Increasing oxygen content decreases the superconducting transition temperature (Tc) and the residual resistivity ratio (RRR). The critical field decreases with the incorporation of oxygen, while the film’s coherence length decreases relatively by 5%. These results, as well as findings from ongoing studies linking fabrication processes to the structural and chemical properties of the superconducting film and Josephson junction, provide insight into effective strategies for improving the performance of superconducting devices.

Shinde, Maithilee [IIT, Chicago; Fermilab]↗
NASA NTRS1985

Classical thermal evaporation of clouds - An electrostatic analogy

The dynamics of the thermal evaporation of cool gas clouds embedded in a hot ionized gas is considered from a general point of view. The investigation is limited to isobaric small Mach number flow, the heat flux given by the diffusive electron Coulomb scattering formula, and no external heating sources. The cloud boundaries are assumed to change very slowly relative to the flow time. It is concluded that the classical mass-loss rate of any irrotational flow from a cloud ensemble is the product of known quantities and the electrostatic capacitance of an identical ensemble of grounded electrical conductors. Thus, the mass loss rate from an ensemble of clouds may be dramatically lower than the sum of the isolated cloud mass-loss rates. This rate is a lower bound to the mass-loss rate when vorticity is present. The mass-loss rate reaches its minimum value when the vorticity flow streamlines are isotherms.

Balbus, S. A.↗
NASA NTRS1988

Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

Gokoglu, Suleyman A.↗
NASA NTRS1992

Computer Program For Variable-Conductance Heat Pipes

VCHPDA provides accurate mathematical models of transient as well as steady-state performance of variable-conductance heat pipes over wide range of operating conditions. Applies to heat pipes with either cold, wicked or hot, nonwicked gas reservoirs and uses ideal-gas law and "flat-front" (negligible vapor diffusion) gas theory. Calculates length of gas-blocked region and temperature of vapor in active portion of heat pipe by solving set of nonlinear equations for conservation of energy and mass. Written in FORTRAN 77.

Antoniuk, D.↗
NASA NTRS1991

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗
NASA NTRS1995

Postaccretion magnetic field evolution of neutron stars

We present the first calculations of magnetic field evolution following accretion-induced field reduction which demonstrate the possibility of subsequent surface magnetic field growth. Assuming the preaccretion field is pushed down or advected below the accreting material, we show that significant diffusion of the suppressed field back to the surface can occur within a Galactic age approximately 10(exp 10) yr. This produces surface fields characteristic of standard pulsars if the total mass transferred is below a critical value delta M(sub c) approximately 0.04 solar masses. We then show how this provides a natural explanation for the existence of old pulsars with high inferred surface dipole fields which are still observable. Using our results in conjunction with a model for accretion-induced field reduction we predict the evolution of a binary pulsar's spin and magnetic field through its postaccretion lifetime. This analysis also provides a qualitative explanation for a recent suggestion that the magnetic fields and spins of recycled pulsars have a bimodal distribution.

Young, E. J.↗
NASA NTRS1993

Optical, X-ray and gamma-ray observations of compact objects in globular clusters

In the past three years, a new era of study of globular clusters has begun with multiwavelength observations from the current generation of astronomical telescopes in space. We review the recent results obtained from our studies of compact binaries and x-ray sources in globulars with ROSAT and Hubble Space Telescope (HST) as well as our balloon-borne hard x-ray telescope EXITE (Energetic X-ray Imaging Telescope Experiment) and ground-based observations (CTIO). With ROSAT, we have obtained the most sensitive high resolution soft x-ray images of clusters which show multiple low luminosity sources in cluster cores that are likely indicative of the long-sought population of cataclysmic variables (CVs). We have obtained deep H-alpha images of two clusters with HST and found CV candiates for 3 of the ROSAT sources in the core of NGC 6397. New CTIO imaging and spectroscopy of two 'dim source' fields in omega-Cen are also described. With EXITE we carried out the first hard x-ray imaging observations of the cluster 47 Tuc; such studies can ultimately limit the populations of millisecond pulsars and pulsar emission mechanisms. A long ROSAT exposure on 47 Tuc also shows probable cluster diffuse emission, possibly due to hot gas from ablating millisecond pulsars. Multiwavelength studies of globular clusters may provide new constraints on problems as diverse as the origin of CVs and low mass X-ray binaries (LMXBs) and the origin of hot gas in globulars.

Grindlay, J. E.↗
NASA NTRS2006

Boundary-Layer-Ingesting Inlet Flow Control

This paper gives an overview of a research study conducted in support of the small-scale demonstration of an active flow control system for a boundary-layer-ingesting (BLI) inlet. The effectiveness of active flow control in reducing engine inlet circumferential distortion was assessed using a 2.5% scale model of a 35% boundary-layer-ingesting flush-mounted, offset, diffusing inlet. This experiment was conducted in the NASA Langley 0.3-meter Transonic Cryogenic Tunnel at flight Mach numbers with a model inlet specifically designed for this type of testing. High mass flow actuators controlled the flow through distributed control jets providing the active flow control. A vortex generator point design configuration was also tested for comparison purposes and to provide a means to examine a hybrid vortex generator and control jets configuration. Measurements were made of the onset boundary layer, the duct surface static pressures, and the mass flow through the duct and the actuators. The distortion and pressure recovery were determined by 40 total pressure measurements on 8 rake arms each separated by 45 degrees and were located at the aerodynamic interface plane. The test matrix was limited to a maximum free-stream Mach number of 0.85 with scaled mass flows through the inlet for that condition. The data show that the flow control jets alone can reduce circumferential distortion (DPCPavg) from 0.055 to about 0.015 using about 2.5% of inlet mass flow. The vortex generators also reduced the circumferential distortion from 0.055 to 0.010 near the inlet mass flow design point. Lower inlet mass flow settings with the vortex generator configuration produced higher distortion levels that were reduced to acceptable levels using a hybrid vortex generator/control jets configuration that required less than 1% of the inlet mass flow.

Owens, Lewis R.↗
NASA NTRS2006

Boundary-Layer-Ingesting Inlet Flow Control

This paper gives an overview of a research study conducted in support of the small-scale demonstration of an active flow control system for a boundary-layer-ingesting (BLI) inlet. The effectiveness of active flow control in reducing engine inlet circumferential distortion was assessed using a 2.5% scale model of a 35% boundary-layer-ingesting flush-mounted, offset, diffusing inlet. This experiment was conducted in the NASA Langley 0.3-meter Transonic Cryogenic Tunnel at flight Mach numbers with a model inlet specifically designed for this type of testing. High mass flow actuators controlled the flow through distributed control jets providing the active flow control. A vortex generator point design configuration was also tested for comparison purposes and to provide a means to examine a hybrid vortex generator and control jets configuration. Measurements were made of the onset boundary layer, the duct surface static pressures, and the mass flow through the duct and the actuators. The distortion and pressure recovery were determined by 40 total pressure measurements on 8 rake arms each separated by 45 degrees and were located at the aerodynamic interface plane. The test matrix was limited to a maximum free-stream Mach number of 0.85 with scaled mass flows through the inlet for that condition. The data show that the flow control jets alone can reduce circumferential distortion (DPCP(sub avg)) from 0.055 to about 0.015 using about 2.5% of inlet mass flow. The vortex generators also reduced the circumferential distortion from 0.055 to 0.010 near the inlet mass flow design point. Lower inlet mass flow settings with the vortex generator configuration produced higher distortion levels that were reduced to acceptable levels using a hybrid vortex generator/control jets configuration that required less than 1% of the inlet mass flow.

Owens, Lewis R.↗
NASA NTRS2011

Generalized Jeans' Escape of Pick-Up Ions in Quasi-Linear Relaxation

Jeans escape is a well-validated formulation of upper atmospheric escape that we have generalized to estimate plasma escape from ionospheres. It involves the computation of the parts of particle velocity space that are unbound by the gravitational potential at the exobase, followed by a calculation of the flux carried by such unbound particles as they escape from the potential well. To generalize this approach for ions, we superposed an electrostatic ambipolar potential and a centrifugal potential, for motions across and along a divergent magnetic field. We then considered how the presence of superthermal electrons, produced by precipitating auroral primary electrons, controls the ambipolar potential. We also showed that the centrifugal potential plays a small role in controlling the mass escape flux from the terrestrial ionosphere. We then applied the transverse ion velocity distribution produced when ions, picked up by supersonic (i.e., auroral) ionospheric convection, relax via quasi-linear diffusion, as estimated for cometary comas [1]. The results provide a theoretical basis for observed ion escape response to electromagnetic and kinetic energy sources. They also suggest that super-sonic but sub-Alfvenic flow, with ion pick-up, is a unique and important regime of ion-neutral coupling, in which plasma wave-particle interactions are driven by ion-neutral collisions at densities for which the collision frequency falls near or below the gyro-frequency. As another possible illustration of this process, the heliopause ribbon discovered by the IBEX mission involves interactions between the solar wind ions and the interstellar neutral gas, in a regime that may be analogous [2].

Moore, T. E.↗
DOE OSTI2020

The Role of Demixing and Crystallization Kinetics on the Stability of Non‐Fullerene Organic Solar Cells

Abstract With power conversion efficiency now over 17%, a long operational lifetime is essential for the successful application of organic solar cells. However, most non‐fullerene acceptors can crystallize and destroy devices, yet the fundamental underlying thermodynamic and kinetic aspects of acceptor crystallization have received limited attention. Here, room‐temperature (RT) diffusion coefficients of 3.4 × 10 −23 and 2.0 × 10 −22 are measured for ITIC‐2Cl and ITIC‐2F, two state‐of‐the‐art non‐fullerene acceptors. The low coefficients are enough to provide for kinetic stabilization of the morphology against demixing at RT. Additionally profound differences in crystallization characteristics are discovered between ITIC‐2F and ITIC‐2Cl. The differences as observed by secondary‐ion mass spectrometry, differential scanning calorimetry (DSC), grazing‐incidence wide‐angle X‐ray scattering, and microscopy can be related directly to device degradation and are attributed to the significantly different nucleation and growth rates, with a difference in the growth rate of a factor of 12 at RT. ITIC‐4F and ITIC‐4Cl exhibit similar characteristics. The results reveal the importance of diffusion coefficients and melting enthalpies in controlling the growth rates, and that differences in halogenation can drastically change crystallization kinetics and device stability. It is furthermore delineated how low nucleation density and large growth rates can be inferred from DSC and microscopy experiments which could be used to guide molecular design for stability.

Hu, Huawei↗
DOE OSTI2020

Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.

Yang, Nan↗
DOE OSTI2020

Spatiotemporal flame propagations, combustion and solid particle emissions from lean and stoichiometric gasoline direct injection engine operation

Increased particle number and mass emissions in gasoline direct injection (GDI) engines should require to investigate in-cylinder flame and combustion characteristics associated with primary source of particle emissions. In this article, in-cylinder spatiotemporal flame luminosity is quantitatively characterized to features combustion process and solid particle emissions from a GDI engine operating in two lean and one stoichiometric modes. Low- and high-steady state operating points were used to compare combustion strategies on flame development and emission characteristics. A fiber-optic sensor composed of eight measurement channels detected the flame front and the direction of the flame propagation in the combustion chamber. Solid particle emissions in the exhaust were measured using an engine exhaust particle sizer and a micro soot sensor. Results of the experiments showed that two lean combustion modes by injection strategies resulted in distinct combustion and flame development. Lean combustion modes generated high diffusion flame by burning stratified rich-mixture. Although the lean cases resulted in strong diffusion flames, the lean-homogeneous produced similar particle size distributions with the stoichiometric mode with high ash particles. Piston pool fires on the piston surface in the lean-stratified mode induced a large accumulation mode with high particle mass concentrations.

42 ENGINEERING↗