Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Analytic gradients”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Selective and Scalable Control of Spin Quantum Memories in a Photonic Circuit

A central goal in many quantum information processing applications is a network of quantum memories that can be entangled with each other while being individually controlled and measured with high fidelity. This goal has motivated the development of programmable photonic integrated circuits (PICs) with integrated spin quantum memories using diamond color center spin-photon interfaces. However, this approach introduces a challenge into the microwave control of individual spins within closely packed registers. Here, we present a quantum memory-integrated photonics platform capable of (i) the integration of multiple diamond color center spins into a cryogenically compatible, high-speed programmable PIC platform, (ii) selective manipulation of individual spin qubits addressed via tunable magnetic field gradients, and (iii) simultaneous control of qubits using numerically optimized microwave pulse shaping. The combination of localized optical control, enabled by the PIC platform, together with selective spin manipulation opens the path to scalable quantum networks on intrachip and interchip platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structural Changes during the Conversion Reaction of Tungsten Oxide Electrodes with Tailored, Mesoscale Porosity

In-plane tungsten oxide nanostructures, including hexagonally patterned cylinders and holes in a matrix, were fabricated via sequential infiltration synthesis (SIS) on self-assembled block copolymer templates. Using the tailored morphology and porosity of these model electrodes with in situ grazing incidence small angle X-ray scattering, the intrinsic structural change of nanoscale active materials during the conversion reaction of WO 3 + 6Li ↔ W + 3 Li 2 O was investigated at controlled electrochemical conditions. Reversible electrode volume expansion and contraction was observed during lithiation and delithiation cycles, respectively. The potential where electrode’s thickness expansion started was ~1.6 V, which is close to thermodynamically expected one for conversion reaction of WO 3 with lithium (1.65 V). The temporal evolution of the electrode volume at constant electrode potentials revealed high overpotential for bulk lithiation and slow conversion reaction kinetics, despite the tailored porosity of the SIS electrodes. Oxide cylinders showed smaller overall electrode thickness change, likely due to unconstrained lateral volume change, as compared to a matrix with holes. On the other hand, better connectivity and guided volume change of the latter electrode morphology provided improved cycling stability. Additionally, heterogeneity in an electrode, from internal pores and density gradients, was found to aggravate the fragmentation of the electrode during conversion reaction. Insights into oxide conversion reaction kinetics and the relationship between electrode mesostructure and cycling behavior obtained from this study can help guide the more rational design of conversion electrode for high performing batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Localized Evaluation for Constructing Discrete Vector Fields

Topological abstractions offer a method to summarize the behavior of vector fields, but computing them robustly can be challenging due to numerical precision issues. One alternative is to represent the vector field using a discrete approach, which constructs a collection of pairs of simplices in the input mesh that satisfies criteria introduced by Forman's discrete Morse theory. While numerous approaches exist to compute pairs in the restricted case of the gradient of a scalar field, state-of-the-art algorithms for the general case of vector fields require expensive optimization procedures. This paper introduces a fast, novel approach for pairing simplices of two-dimensional, triangulated vector fields that do not vary in time. The key insight of our approach is that we can employ a local evaluation, inspired by the approach used to construct a discrete gradient field, where every simplex in a mesh is considered by no more than one of its vertices. Specifically, we observe that for any edge in the input mesh, we can uniquely assign an outward direction of flow. We can further expand this consistent notion of outward flow at each vertex, which corresponds to the concept of a downhill flow in the case of scalar fields. Working with outward flow enables a linear-time algorithm that processes the (outward) neighborhoods of each vertex one-by-one, similar to the approach used for scalar fields. Here, we couple our approach to constructing discrete vector fields with a method to extract, simplify, and visualize topological features. Empirical results on analytic and simulation data demonstrate drastic improvements in running time, produce features similar to the current state-of-the-art, and show the application of simplification to large, complex flows.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

On the investigation of cascade and turbomachinery rotor wake characteristics

The objective of the investigation reported in this thesis is to study the characteristics of a turbomachinery rotor wake, both analytically and experimentally. The constitutive equations for the rotor wake are developed using generalized tensors and a non-inertial frame of reference. Analytical and experimental investigation is carried out in two phases; the first phase involved the study of a cascade wake in the absence of rotation and three dimensionality. In the second phase the wake of a rotor is studied. Simplified two- and three-dimensional models are developed for the prediction of the mean velocity profile of the cascade and the rotor wake, respectively, using the principle of self-similarity. The effect of various major parameters of the rotor and the flow geometry is studied on the development of a rotor wake. Laws governing the decay of the wake velocity defect in a cascade and rotor wake as a function of downstream distance from the trailing edge, pressure gradient and other parameters are derived.

Raj, R.↗
NASA NTRS1975

A study of casing treatment stall margin improvement phenomena

The results of a program of experimental and analytical research in casing treatments over axial compressor rotor blade tips are presented. Circumferential groove, axial-skewed slot and blade angle slot treatments were tested at low speeds. With the circumferential groove treatment the stalling flow was reduced 5.8% at negligible efficiency sacrifice. The axial-skewed slot treatment improved the stalling flow by 15.3%; 1.8 points in peak efficiency were sacrificed. The blade angle slot treatment improved the stalling flow by 15.0%; 1.4 points in peak efficiency were sacrificed. The favorable stalling flow situations correlated well with observations of higher-than-normal surface pressures on the rotor blade pressure surfaces in the tip region, and with increased maximum diffusions on the suction surfaces. Annulus wall pressure gradients, especially in the 50 to 75% chord region, are also increased and blade surface pressure loadings are shifted toward the trailing edge for treated configurations.

Prince, D. C., Jr.↗
DOE OSTI2021

From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides

The mercury dihalides show a remarkable diversity in the structural preferences in their minimum energy structure types, spanning molecular to strongly bound ionic solids. A challenge in the development of density functional methods for extended systems is to arrive at strategies that serve equally well such a broad range of bonding modes or structural preferences. The chemical bonding and the stabilities of mercury dihalides and the general utility and reliability of the van der Waals density functional with C09 exchange (vdW-DF-C09) in predicting or describing the energetics and structural preferences in these metal dihalides is examined. Here, we show that, in contrast with the uncorrected generalized gradient approximation of the Perdew-Burke-Erzenhoff (PBE) exchange-correlation functional, qualitative and quantitative patterns in the bonding of the mercury dihalide solids are well reproduced with vdW-DF-C09 for the full series of HgX 2 systems for X = F, Cl, Br, and I. The possible existence of a low-temperature cotunnite polymorph for HgF 2 and PbF 2 is posited.

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

A Study of Ferrocene Diffusion in Toluene/Tween 20/1-Butanol/Water Microemulsions for Redox Flow Battery Applications

Redox flow batteries (RFBs) possess multiple advantages as a flexible energy storage solution. However, RFB researchers are still facing many challenges in finding an appropriate electrolyte. Microemulsions have recently been proposed as a promising alternative RFB electrolyte because of their ability to accommodate organic redox species with fast electron transfer rates that are not soluble in aqueous phase, while still offering the high conductivity of an aqueous salt electrolyte. In this work, we focused on understanding the transport of ferrocene (Fc) in a toluene/Tween 20/1-butanol/water model microemulsion and studied the compositional influence on Fc diffusion. The results show that Fc redistributes among the oil, surfactant, and water microenvironments, and the corresponding diffusion and partition coefficients are quantified. Thus, a tortuous path diffusion model is proposed to describe the mass transport of Fc to an electrode surface. Diffusion coefficients are also obtained by pulsed-field gradient nuclear magnetic resonance (PFG NMR), while the values for Fc diffusion are substantially higher than those from electrochemical measurements, suggesting that they measure samples in different ways. The current contributions from each microenvironment indicate that the Fc permeability is much higher in the oil, even though the electron transfer reaction is likely occurring in the surfactant.

25 ENERGY STORAGE↗
NASA NTRS1993

Measurements of atmospheric carbonyl sulfide during the NASA Chemical Instrumentation Test and Evaluation Project: Implications for the global COS budget

Atmospheric carbonyl sulfide COS concentrations were measured by three analytical systems during the Chemical Instrumentation Test and Evaluation (CITE 3) project. The three systems all used cryogenic sample preconcentration and gas chromatographic (GC) separation but differed in the method of detection. The FPD system used a flame photometric detector, the MS system used a mass selective detector, and the ECD-S system used a fluorinating catalyst followed by an electron capture detector. With the FPD system, we found a mean COS concentration of 510 ppt over the North Atlantic and 442 ppt over the Tropical Atlantic. With the ECD-S system, we found a mean COS concentration of 489 ppt over the North Atlantic and 419 ppt over the Tropical Atlantic. All three systems registered a latitudinal gradient in atmospheric COS of between 1.6 and 2.0 ppt per degree of latitude, with increasing COS concentrations northward which was similar to the gradient measured by Bingemer et al. (1990). It is difficult to reconcile the measured latitudinal concentration gradient with present theories of the global COS budget since the largest sink of COS is thought to be a flux to land plants, most of which are in the northern hemisphere.

Johnson, James E.↗
NASA NTRS1975

Doppler measurements of the ionosphere on the occasion of the Apollo-Soyuz test project. Part 2: Inversion of differential and rotating Doppler shifts

The preparation of the analytical approach and of the related software used in the inversion of the differential and rotating Doppler data obtained from the ionospheric experiment of the Apollo-Soyuz Test Project (ASTP) is discussed. These data were collected in space-to-space paths (between the ASTP Docking Module (DM) and the Apollo Command Service Module and in space-to-ground paths (between the DM and ground). The Doppler links operated at 162 and 324 MHz and have an accuracy better than 3 MHz over 10-sec integration time. The inversion approach was tested with dummy data obtained with a computer simulation. It was found that a measurement accuracy of 1 to 10% in the value of the horizontal electron density gradient at 221-km altitude can be achieved, in space-to-space paths. For space-to-ground paths near the orbital plane, possible effects of the horizontal gradients on the received differential Doppler shifts were identified. It was possible to reduce the gradient-associated errors in the inversion that leads to the columnar electron content by approximately one-half. Accuracies of 5 to 10% in columnar electron content are achievable, with this gradient-compensation technique.

Gay, R. H.↗
DOE OSTI2022

Curated Collection of More than 20,000 Experimentally Reported One-Dimensional Metal–Organic Frameworks

Herein, a collection of more than 20,000 experimentally derived crystal structures for metal–organic frameworks (MOFs) that do not have two- or three-dimensional covalently bonded networks has been developed from the materials available at the Cambridge Crystallographic Data Centre. Of these 20,000 1D MOFs, more than 12,000 structures have been verified to be solvent-free and in exact agreement with the stoichiometry of the synthesized materials. More than 10% of the complete data set comprise materials including two or more distinct metals. The band gaps of more than 12,000 1D MOFs have been computed at the density functional theory-generalized gradient approximation level, finding more than 2000 materials that have a zero band gap. Molecular simulations of CH4 adsorption in a small number of 1D MOFs indicated that adsorbate-induced deformation plays a significant role in determining adsorption isotherms in these materials. As a result, methods that have been used previously for high-throughput predictions of molecular adsorption in 3D MOFs are not suitable for 1D MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1971

An investigation of transient pressures and plasma properties in a pinched plasma column

The transient pinched plasma column generated in a linear Z-pinch was studied experimentally and analytically. The plasma column was investigated experimentally with several plasma diagnostics; they were: a rapid response pressure transducer, a magnetic field probe, a voltage probe, and discharge luminosity. Axial pressure profiles on the discharge chamber axis were used to identify three characteristic regions of plasma column behavior: (1) strong axial pressure asymmetry noted early in plasma column lifetime, (2) followed by plasma heating in which there is a rapid rise in static pressure, and (3) a slight decrease static pressure before plasma column breakup. Plasma column lifetime was approximately 5 microseconds. The axial pressure asymmetry was attributed to nonsimultaneous pinching of the imploding current sheet along the discharge chamber axis. The rapid heating could be attributed in part to viscous effects introduced by radial gradients in the axial streaming velocity.

Stover, E. K.↗
NASA NTRS1980

Uncontrolled dynamics of the Skylab vehicle - Comparison of simulation, theory and flight data

When the final Skylab mission was completed in 1974, the onboard systems were used to maneuver the vehicle to a gravity gradient equilibrium attitude and were then shut down. Parked in this storage attitude, the vehicle was left undisturbed until March 1978 when contact was reestablished and the control systems were reactivated. During the intervening four years, the vehicle was subjected to subtle environmental torques which caused the vehicle to gradually progress from its initial stable state to a very dynamic condition just prior to the resumption of control. The paper deals with the dynamics of this process, including the analyses and simulations which were made to explain the motion and enable the planning of the reactivation process. The complementary roles of both numerical integration and closed-form analysis are demonstrated. Flight data obtained in the spring of 1978 are presented which support the analytical and simulation results.

Buchanan, H. J.↗
NASA NTRS1984

Assessing the proficiency of software developers

The trend lines presented can be useful in a number of ways. They provide a baseline of comparision from which software developers can compare their performance against a large database of similar projects. This will often identify a organizational style. It was possible to quantify the organizational style using the Manpower Buildup Gradient. That the developer was a better than average producer on RAM based systems was shown. The Ck associated with the ROM system suggests that it is a different class of work. When this system is compared against the Firmware database it is very creditable. It is important to recognize that there are non linearities present in the software process. The non linearities are tied to system size. For comparative purposes one must always make judgements based on similar sizes. In the past the tendency has been to calculate a few ratios on several projects and then compare them without any regard to amount of functionality that was created. This practice can be very misleading and dangerous. The method described, used in a thoughtful analytic manner, can be very helpful.

Putnam, L. H.↗
NASA NTRS2002

Optimal Design of Functionally Graded Metallic Foam Insulations

The focus of our work has been on developing an insight into the physics that govern the optimum design of thermal insulation for use in thermal protection systems of launch vehicle. Of particular interest was to obtain optimality criteria for designing foam insulations that have density (or porosity) distributions through the thickness for optimum thermal performance. We investigate the optimum design of functionally graded thermal insulation for steady state heat transfer through the foam. We showed that the heat transfer in the foam has competing modes, of radiation and conduction. The problem assumed a fixed inside temperature of 400 K and varied the aerodynamic surface heating on the outside surface from 0.2 to 1.0 MW/sq m. The thermal insulation develops a high temperature gradient through the thickness. Investigation of the model developed for heat conduction in foams showed that at high temperatures (as on outside wall) intracellular radiation dominates the heat transfer in the foam. Minimizing radiation requires reducing the pore size, which increases the density of the foam. At low temperatures (as on the inside wall), intracellular conduction (of the metal and air) dominates the heat transfer. Minimizing conduction requires increasing the pore size. This indicated that for every temperature there was an optimum value of density that minimized the heat transfer coefficient. Two optimization studies were performed. One was to minimize the heat transmitted though a fixed thickness insulation by varying density profiles. The second was to obtain the minimum mass insulation for specified thickness. Analytical optimality criteria were derived for the cases considered. The optimality condition for minimum heat transfer required that at each temperature we find the density that minimizes the heat transfer coefficient. Once a relationship between the optimum heat transfer coefficient and the temperature was found, the design problem reduced to the solution of a simple nonlinear differential equation. Preliminary results of this work were presented at the American Society of Composites meeting, and the final version was submitted for publication in the AIAA Journal. In addition to minimizing the transmitted heat, we investigated the optimum design for minimum weight given an acceptable level of heat transmission through the insulation. The optimality criterion developed was different from that obtained for minimizing beat transfer coefficient. For minimum mass design, we had to find for a given temperature the optimum density, which minimized the logarithmic derivative of the insulation thermal conductivity with respect to its density. The logarithmic derivative is defined as the ratio of relative change in the dependent response (thermal conductivity) to the relative change in the independent variable (density). The results have been documented as a conference paper that will be presented at the upcoming AIAA.

Haftka, Raphael T.↗
NASA NTRS1971

An investigation of transient pressure and plasma properties in a pinched plasma column

The transient pinched plasma column generated in a linear Z-pinch was studied experimentally and analytically. The plasma column was investigated experimentally with the following plasma diagnostics: a special rapid response pressure transducer, a magnetic field probe, a voltage probe and discharge luminosity. Axial pressure profiles on the discharge chamber axis were used to identify three characteristic regions of plasma column behavior; they were in temporal sequence: strong axial pressure asymmetry noted early in plasma column lifetime followed by plasma heating in which there is a rapid rise in static pressure and a slight decrease static pressure before plasma column breakup. Plasma column lifetime was approximately 5 microseconds. The axial pressure asymmetry was attributed to nonsimultaneous pinching of the imploding current sheet along the discharge chamber axis. The rapid heating is attributed in part to viscous effects introduced by radial gradients in the axial streaming velocity. Turbulent heating arising from discharge current excitation of the ion acoustic wave instability is also considered a possible heating mechanism.

Stover, E. K.↗
NASA NTRS2001

A New Analytical Approach to Predict Spacing Selection in Lamellar and Rod Eutectic Systems

In this paper, we reexamine the Jackson and Hunt (JH) theory and relax the assumption of isothermal solid/liquid interface(SLI) used in their treatment. A modification of the term B. in the expression of the solute concentration profile is also proposed. Based on the predictions of this modified theory the traditional definitions of regular and irregular eutectics are discussed. For regular eutectics the new model identifies a range of spacing within the limits defined by the minimum undercooling of the alpha and beta phase. For the irregular Al-Si eutectic system in particular we identified two different spacing selection mechanisnis: a) for a particular growth rate, a nearly isothermal interface can be achieved at a unique minimum spacing lambda(sub I); b) the average spacing in the microstructure (lambda(sub av) > lambda(sub I)) is essentially dictated by the undercooling of the faceted phase. Based on the modified theoretical model a semi-empirical expression has been developed to account for the influence of the temperature gradient. The theoretical calculations have been found to be in good agreement with the published experimental measurements.

Catalina, Adrian V.↗
DOE OSTI2021

Highly Rectifying Fluidic Diodes Based on Asymmetric Layer-by-Layer Nanofilms on Nanochannel Membranes

Nanochannel-based fluidic diodes display ion selectivity and ion-current rectification (ICR), which may prove important in energy harvesting and biosensors. This paper reports asymmetric functionalization of the outer surface of a flexible nanochannel polymer membrane to create fluidic diodes that give ICR. Layer-by-layer (LbL) adsorption with cross-linking of only the underlying part of the polyelectrolyte nanofilm leads to a porosity step across the film. The combination of a high effective surface-charge density and the porosity step in the film leads to a remarkable maximum ICR factor of ~200 with a pH gradient across the film. Incorporation of pH-sensitive polyelectrolyte components enables the ICR factor to increase an order of magnitude on going from pH 8 to pH 3. Furthermore, the coated membrane shows excellent anion-selectivity. Thus, LbL adsorption with partial cross-linking provides a simple method for creating coated nanochannel membranes that serve as pH-responsive ionic diodes for potential chemical/biosensors.

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

Pharmacoepidemiology, Machine Learning and COVID-19: An intent-to-treat analysis of hydroxychloroquine, with or without azithromycin, and COVID-19 outcomes amongst hospitalized US Veterans

Hydroxychloroquine (HCQ) was proposed as an early therapy for coronavirus disease 2019 (COVID-19) after in vitro studies indicated possible benefit. Previous in vivo observational studies have presented conflicting results, though recent randomized clinical trials have reported no benefit from HCQ amongst hospitalized COVID-19 patients. In this work, we examined the effects of HCQ alone, and in combination with azithromycin, in a hospitalized COVID-19 positive, United States (US) Veteran population using a propensity score adjusted survival analysis with imputation of missing data. From March 1, 2020 through April 30, 2020, 64,055 US Veterans were tested for COVID-19 based on Veteran Affairs Healthcare Administration electronic health record data. Of the 7,193 positive cases, 2,809 were hospitalized, and 657 individuals were prescribed HCQ within the first 48-hours of hospitalization for the treatment of COVID-19. There was no apparent benefit associated with HCQ receipt, alone or in combination with azithromycin, and an increased risk of intubation when used in combination with azithromycin [Hazard Ratio (95% Confidence Interval): 1.55 (1.07, 2.24)]. In conclusion, we assessed the effectiveness of HCQ with or without azithromycin in treating patients hospitalized with COVID-19 using a national sample of the US Veteran population. Using rigorous study design and analytic methods to reduce confounding and bias, we found no evidence of a survival benefit from the administration of HCQ.

60 APPLIED LIFE SCIENCES↗