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DOE OSTI2021

Current Status on the Manufacturing of Nanomaterials for Proton Exchange Membrane Energy Systems by Vapor-Based Processes

Development of novel technologies for catalyst synthesis and membrane electrode assembly (MEA) fabrication is of primary importance for further improvement of the performance and economics of proton exchange membrane fuel cells (PEMFCs) and proton exchange membrane water electrolyzers (PEMWEs). While the traditional manufacturing methods are time-consuming, energy intensive, and require many processing steps, the new vapor-based methods provide many benefits including the development of improved catalysts and catalyst supports, deposition of uniform thin films, reduction of catalyst loading, and minimizing the number of manufacturing steps. Recent publications in the field identified spray pyrolysis, reactive spray deposition technology, chemical vapor deposition, and atomic layer deposition as advanced vapor-based catalyst synthesis and deposition methods used for fabrication of MEAs for PEMFCs and PEMWEs. Here, the MEAs fabricated via vapor-based processes have shown significant performance improvements in comparison to the state-of-the-art MEAs, which are attributed to better catalyst distribution, improved catalyst supports, and controlled, uniform catalyst layer microstructures. This review provides an overview of the vapor-based synthesis and deposition methods currently being used for the development of PEM-based devices. The advantages and disadvantages of these methods are critically compared and discussed while the outlook for future development is provided.

25 ENERGY STORAGE↗

NASA NTRS1991

Mach 4 and Mach 8 axisymmetric nozzles for a shock tunnel

The performance of two axisymmetric nozzles which were designed to produce uniform, parallel flow with nominal Mach numbers of 4 and 8 is examined. A free-piston-driven shock tube was used to supply the nozzle with high-temperature, high-pressure test gas. The inviscid design procedure treated the nozzle expansion in two stages. Close to the nozzle throat, the nozzle wall was specified as conical and the gas flow was treated as a quasi-one-dimensional chemically-reacting flow. At the end of the conical expansion, the gas was assumed to be calorically perfect, and a contoured wall was designed (using method of characteristics) to convert the source flow into a uniform and parallel flow at the end of the nozzle. Performance was assessed by measuring Pitot pressures across the exit plane of the nozzles and, over the range of operating conditions examined, the nozzles produced satisfactory test flows. However, there were flow disturbances in the Mach 8 nozzle flow that persisted for significant times after flow initiation.

Jacobs, P. A.↗

NASA NTRS1991

Mach 4 and Mach 8 axisymmetric nozzles for a high-enthalpy shock tunnel

Jacobs, P. A.↗

NASA NTRS2022

Design and Development Requirements for Mechanisms

This NASA Technical Standard is published by the National Aeronautics and Space Administration (NASA) to provide uniform engineering and technical requirements for processes, procedures, practices, and methods endorsed as standard for NASA programs and projects, including requirements for selection, application, and design criteria of an item. This Standard is approved for use by NASA Headquarters and NASA Centers, including Component Facilities and Technical and Service Support Centers; applicable technical requirements may be cited in contract, program, and other Agency documents. This language applies to the Jet Propulsion Laboratory (a Federally Funded Research and Development Center), other contractors, recipients of grants, cooperative agreements, or other agreements only to the extent specified or referenced in the applicable contracts, grants, or agreements. This Standard establishes uniform design, development, and verification requirements for mechanisms and mechanism components whose correct operation is required for safety or mission success.

Mechanism↗

DOE OSTI2021

Design and analysis of a wake model for spatially heterogeneous flow

Abstract. Methods of turbine wake modeling are being developed to more accurately account for spatially variant atmospheric conditions within wind farms. Most current wake modeling utilities are designed to apply a uniform flow field to the entire domain of a wind farm. When this method is used, the accuracy of power prediction and wind farm controls can be compromised depending on the flow-field characteristics of a particular area. In an effort to improve strategies of wind farm wake modeling and power prediction, FLOw Redirection and Induction in Steady State (FLORIS) was developed to implement sophisticated methods of atmospheric characterization and power output calculation. In this paper, we describe an adapted FLORIS model that features spatial heterogeneity in flow-field characterization. This model approximates an observed flow field by interpolating from a set of atmospheric measurements that represent local weather conditions. The objective of this method is to capture heterogeneous atmospheric effects caused by site-specific terrain features, without explicitly modeling the geometry of the wind farm terrain. The implemented adaptations were validated by comparing the simulated power predictions generated from FLORIS to the actual recorded wind farm output from the supervisory control and data acquisition (SCADA) recordings and large eddy simulations (LESs). When comparing the performance of the proposed heterogeneous model to homogeneous FLORIS simulations, the results show a 14.6 % decrease for mean absolute error (MAE) in wind farm power output predictions for cases using wind farm SCADA data and a 18.9 % decrease in LES case studies. The results of these studies also indicate that the efficacy of the proposed modeling techniques may vary with differing site-specific operational conditions. This work quantifies the accuracy of wind plant power predictions under heterogeneous flow conditions and establishes best practices for atmospheric surveying for wake modeling.

17 WIND ENERGY↗

NASA NTRSDate not supplied

A Zero-order Hold Approach for Fractional-delay Interpolation in Auralization

During the signal processing chain of an auralization simulating the propagation of a sound from a moving source to a stationary receiver, it is often necessary to interpolate between the samples of the source signal in order to arrive at uniformly-spaced samples at the receiver. In some cases, this interpolation is done in the receiver time frame – where the “input” samples of the source have become irregularly spaced due to time dilation effects. Canonical band-limited interpolation methods (i.e., sinc and sinc-derived approaches) cannot be applied in this case as they rely on having a uniformly-spaced input. The use of geometric interpolation methods that can handle irregularly-spaced input may not be grounded in signal processing principles and may produce unwanted artifacts and noise. This presentation outlines the possibility of embedding an irregularly-spaced zero-order hold signal within a highly over-sampled uniformly-spaced signal, and then processing down to the desired sampling rate through successive decimations. Initial distortion and noise characteristics of the approach are shown for some basic propagation geometries. The possible benefits of using such an approach in an auralization scheme with a time-varying Doppler shift are discussed including: the prevention of aliasing, processing time advantages, and the possibility for asynchronous processing.

Auralization↗

NASA NTRS1973

Elastic buckling analysis for composite stiffened panels and other structures subjected to biaxial inplane loads

An exact linear analysis method is presented for predicting buckling of structures with arbitrary uniform cross section. The structure is idealized as an assemblage of laminated plate-strip elements, curved and planar, and beam elements. Element edges normal to the longitudinal axes are assumed to be simply supported. Arbitrary boundary conditions may be specified on any external longitudinal edge of plate-strip elements. The structure or selected elements may be loaded in any desired combination of inplane transverse compression or tension side load and axial compression load. The analysis simultaneously considers all possible modes of instability and is applicable for the buckling of laminated composite structures. Numerical results correlate well with the results of previous analysis methods.

Viswanathan, A. V.↗

NASA NTRS2001

Effect of convection on osteoblastic cell growth and function in biodegradable polymer foam scaffolds

Culture of seeded osteoblastic cells in three-dimensional osteoconductive scaffolds in vitro is a promising approach to produce an osteoinductive material for repair of bone defects. However, culture of cells in scaffolds sufficiently large to bridge critical-sized defects is a challenge for tissue engineers. Diffusion may not be sufficient to supply nutrients into large scaffolds and consequently cells may grow preferentially at the periphery under static culture conditions. Three alternative culturing schemes that convect media were considered: a spinner flask, a rotary vessel, and a perfusion flow system. Poly(DL-lactic-co-glycolic acid) (PLGA) foam discs (12.7 mm diameter, 6.0 mm thick, 78.8% porous) were seeded with osteoblastic marrow stromal cells and cultured in the presence of dexamethasone and L-ascorbic acid for 7 and 14 days. Cell numbers per foam were found to be similar with all culturing schemes indicating that cell growth could not be enhanced by convection, but histological analysis indicated that the rotary vessel and flow system produced a more uniform distribution of cells throughout the foams. Alkaline phosphatase (ALP) activity per cell was higher with culture in the flow system and spinner flask after 7 days, while no differences in osteocalcin (OC) activity per cell were observed among culturing methods after 14 days in culture. Based on the higher ALP activity and better cell uniformity throughout the cultured foams, the flow system appears to be the superior culturing method, although equally important is the fact that in none of the tests did any of the alternative culturing techniques underperform the static controls. Thus, this study demonstrates that culturing techniques that utilize fluid flow, and in particular the flow perfusion system, improve the properties of the seeded cells over those maintained in static culture.

NASA Discipline Cell Biology↗

NASA NTRS2009

Silicon Nanowire Growth at Chosen Positions and Orientations

It is now possible to grow silicon nanowires at chosen positions and orientations by a method that involves a combination of standard microfabrication processes. Because their positions and orientations can be chosen with unprecedented precision, the nanowires can be utilized as integral parts of individually electronically addressable devices in dense arrays. Nanowires made from silicon and perhaps other semiconductors hold substantial promise for integration into highly miniaturized sensors, field-effect transistors, optoelectronic devices, and other electronic devices. Like bulk semiconductors, inorganic semiconducting nanowires are characterized by electronic energy bandgaps that render them suitable as means of modulating or controlling electronic signals through electrostatic gating, in response to incident light, or in response to molecules of interest close to their surfaces. There is now potential for fabricating arrays of uniform, individually electronically addressable nanowires tailored to specific applications. The method involves formation of metal catalytic particles at the desired positions on a substrate, followed by heating the substrate in the presence of silane gas. The figure illustrates an example in which a substrate includes a silicon dioxide surface layer that has been etched into an array of pillars and the catalytic (in this case, gold) particles have been placed on the right-facing sides of the pillars. The catalytic thermal decomposition of the silane to silicon and hydrogen causes silicon columns (the desired nanowires) to grow outward from the originally catalyzed spots on the substrate, carrying the catalytic particles at their tips. Thus, the position and orientation of each silicon nanowire is determined by the position of its originally catalyzed spot on the substrate surface, and the orientation of the nanowire is perpendicular to the substrate surface at the originally catalyzed spot.

Getty, Stephanie A.↗

DOE OSTI2026

Correlating Surface Processing of Nb Superconducting RF Cavities with the Evolution of Surface Electronic States

Superconducting-radio frequency (RF) cavities provide an efficient way to accelerate particle beams with extremely high acceleration gradients while generating very small power dissipation. The few nanometers of the surface play a critical role in defining the RF performance of superconducting Nb based cavities. Over the past two decades, several pioneering surface treatment and processing methods have emerged, enabling remarkable improvements in superconducting cavity performance by simultaneously achieving high quality factors with increasing maximum acceleration gradients. These processing approaches include chemical polishing, distinct multi-step thermal treatments under ultra-high vacuum (UHV) conditions over low to high temperature regimes, as well as high-temperature treatments under controlled nitrogen atmospheres. Beyond their macroscopic impact on RF performance, these methods produce distinct surface oxide configurations characterized by different valence states, oxide thicknesses, chemical uniformity, and oxygen concentration profiles extending into the near-surface bulk of niobium. In this work, we are trying to understand how the surface-processing methods and the resulting oxide/oxygen profiles affect the electronic structure of surface and the mechanism of superconductivity. Using a combination of X-ray photoemission and X-ray absorption spectroscopies, we investigate how the valence-band structure and the electronic density of states (DoS) near the Fermi level evolve under different surface treatments. By employing tunable photon energies across multiple elemental absorption edges, we use resonant photoemission to disentangle and identify the elemental contributions to specific valence-band features. Our observations show that different surface-processing methods lead to distinct temperature evolutions of the DoS and valence-band states near the Fermi level. Our results suggest variations in different Nb-O orbital hybridizations in distinct processes and point towards the possibility of different underlying mechanisms of superconductivity governed by surface chemistry and oxide configuration. We also correlate these distinct superconducting mechanisms with RF cavity performance, specifically focusing on measured surface resistance, the nature of the Q-slope, and quench fields observed in superconducting RF measurements. These results will enable us to identify the potential limiting factors and relevant controllable parameters that can be further optimized to improve the performance of superconducting RF cavities.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗

DOE OSTI2019

Seamless Nb tubes for SRF cavities

A. Executive Summary Understanding Developed Relationships between level of work, plastic strain orientation, level of annealing, grain size, strength, ductility, and texture were developed for heavily worked bulk RRR grade cast pure niobium (Nb). Technical Effectiveness of Approach Part A: The approach used for plastic deformation of bulk Nb was room temperature equal channel angular extrusion (ECAE). This approach is very effective for microstructural breakdown of worked and post-strain recrystallized Nb. A major problem with breaking down the microstructure of cast Nb is development of a consistent (repeatable) and uniform microstructure. This is most effectively accomplished by a series of orthogonal working steps (multipass ECAE (mECAE)) separated by full recrystallization. Forming tube from such material leads to a uniform microstructure in the tube. Part B: The approach developed to produce a microstructure in thin-walled tube that is very favorable for hydroforming into a superconducting radio frequency (SRF) cavity is tube-ECAE (tECAE). Tube-ECAE results in an axisymmetric circumferentially uniform microstructure with a texture more favorable for expansion hydroforming than tube formed by conventional methods such as extrusion, drawing, and ironing. Economic Feasibility of Methods Investigated and Demonstrated Although this was not demonstrated because of funding limitations, it is strongly believed that mECAE combined with intermediate recrystallization heat treatments and tECAE are economically viable approaches for producing a consistent, uniform, fine- or coarse-grained microstructure in RRR grade Nb tube starting from a large-grained and highly textured cast ingot. These methods are relatively easy to apply; the challenge is development of equipment and tooling that works well and is operator friendly. Commercially viable ECAE tooling for bulk Nb microstructure breakdown was developed; significant progress was made on the design of scaled-up equipment for tECAE. Patents on tECAE have been granted in Europe, Japan, and the United States. Public Benefit The approaches developed for fabricating RRR grade Nb tubing suitable for hydroforming into multi-cell SRF cavities have substantial public benefit because they will enable the manufacture of lower cost multicell SRF cavities for advanced linear particle accelerators. In addition, the approach developed for fabricating uniform and consistent axisymmetric microstructures in metal tubing can be applied to tubes made of metal alloys other than Nb. Applications exist in Ta tubing for superconductor wire applications, Mg alloy tubing for bio-implants, and aerospace tubing for structural hollow section components. The idea of tECAE can be applied to heal the heat affected zone (HAZ) in seam-welded tubing, thus erasing or healing the low-strength properties in the weld zone.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Machine Learning Methods for Connection RTT and Loss Rate Estimation Using MPI Measurements Under Random Losses

Scientific computations are expected to be increasingly distributed across wide-area networks, and Message Passing Interface (MPI) has been shown to scale to support their communications over long distances. Application-level measurements of MPI operations reflect the connection Round-Trip Time (RTT) and loss rate, and machine learningmethods have been previously developed to estimate them under deterministic periodic losses. In this paper, we consider more complex, random losses with uniform, Poisson and Gaussian distributions. We study five disparate machine leaning methods, with linear and non-linear, and smooth and non-smooth properties, to estimate RTT and loss rate over 10 Gbps connections with 0–366 ms RTT. The diversity and complexity of these estimators combined with the randomness of losses and TCP’s non-linear response together rule out the selection of a single best among them; instead, we fuse them to retain their design diversity. Overall, the results show that accurate estimates can be generated at low loss ratesbut become inaccurate at loss rates 10% and higher, thereby illustrating both their strengths and limitations.

Rao, Nageswara S.↗

NASA NTRS2011

Oriented nanofibers embedded in a polymer matrix

A method of forming a composite of embedded nanofibers in a polymer matrix is disclosed. The method includes incorporating nanofibers in a plastic matrix forming agglomerates, and uniformly distributing the nanofibers by exposing the agglomerates to hydrodynamic stresses. The hydrodynamic said stresses force the agglomerates to break apart. In combination or additionally elongational flow is used to achieve small diameters and alignment. A nanofiber reinforced polymer composite system is disclosed. The system includes a plurality of nanofibers that are embedded in polymer matrices in micron size fibers. A method for producing nanotube continuous fibers is disclosed. Nanofibers are fibrils with diameters of 100 nm, multiwall nanotubes, single wall nanotubes and their various functionalized and derivatized forms. The method includes mixing a nanofiber in a polymer; and inducing an orientation of the nanofibers that enables the nanofibers to be used to enhance mechanical, thermal and electrical properties. Orientation is induced by high shear mixing and elongational flow, singly or in combination. The polymer may be removed from said nanofibers, leaving micron size fibers of aligned nanofibers.

Barrera, Enrique V.↗

DOE OSTI2021

A priori error analysis of high-order LL* (FOSLL*) finite element methods

A number of non-standard finite element methods have been proposed in recent years, each of which derives from a specific class of PDE-constrained norm minimization problems. The most notable examples are LL* methods. In this work, we argue that all high-order methods in this class should be expected to deliver substandard uniform h-refinement convergence rates. In fact, one may not even see rates proportional to the polynomial order p > 1 when the exact solution is a constant function. Here, we show that the convergence rate is limited by the regularity of an extraneous Lagrange multiplier variable which naturally appears via a saddle-point analysis. In turn, limited convergence rates appear because the regularity of this Lagrange multiplier is determined, in part, by the geometry of the domain. Numerical experiments support our conclusions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A Minkowski difference-based advancing front packing technique for generating convex noncircular particles in complex domains

In this work, a Minkowski difference-based advancing front approach is proposed to generate convex and non-circular particles in a predefined computational domain. Two specific algorithms are developed to handle the contact conformity of generated particles with the boundaries of the computational domain. The first, called the open form, is used to handle the smooth contact of generated particles with (external) boundaries, while the other, called the closed form, is proposed to handle the internal boundaries of a computational domain with a complex cavity. The Gilbert-Johnson-Keerthi (GJK) method is used to efficiently solve the contact detection between the newly generated particle at the front and existing particles. Furthermore, the problem of one-sided particle lifting, which can cause some defects in the packing structure in existing advancing front methods during packing generation, is highlighted and an effective solution is developed. Several examples of increasing complexity are used to demonstrate the efficiency and applicability of the proposed packing generation approach. The numerical results show that the generated packing is not only more uniform, but also achieves a higher packing density than existing advancing front methods.

42 ENGINEERING↗

DOE OSTI2016

Magnetic properties of lithium zinc ferrites synthesized by microwave sintered method

In this paper, a series of polycrystalline ferrite samples were prepared with the composition of Zn{sub 0.1}Li{sub 0.525-x}Ti{sub 0.15}Mg{sub x}Fe{sub 2.225-0.5x}O{sub 4} (LiZn) (x=0, 0.05, 0.10, 0.15 and 0.20) using both microwave sintering (MS) and conventional sintering (CS) technologies, respectively. The sintering time and temperature were 22 hours and 1000°C for the CS process, and 2 hours and 880°C for the MS process. Experiments showed that the MS treated LiZn ferrites exhibited more excellent magnetic properties and denser, more uniform micro-structures comparing with the ones treated by CS method. For the LiZn ferrite (x=0.1) sintered at 880°C using MS, the saturation magnetic induction (Bs) is 242.3 mT, the coercive force (Hc) is 135 A/m, the square ratio (Br/Bs) is 0.87 and the ferromagnetic resonance line-width (Δ H) is 143.2 Oe. These results represented very good properties for an X-band phase shifter material and indicated that the MS method is a potentially important technique for fabricating low temperature co-fired ceramics (LTCC).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1994

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗

NASA NTRS1989

A numerical study of a class of TVD schemes for compressible mixing layers

At high Mach numbers the two-dimensional time-developing mixing layer develops shock waves, positioned around large-scale vortical structures. A suitable numerical method has to be able to capture the inherent instability of the flow, leading to the roll-up of vortices, and also must be able to capture shock waves when they develop. Standard schemes for low speed turbulent flows, for example spectral methods, rely on resolution of all flow-features and cannot handle shock waves, which become too thin at any realistic Reynolds number. The performance of a class of second-order explicit total variation diminishing (TVD) schemes on a compressible mixing layer problem was studied. The basic idea is to capture the physics of the flow correctly, by resolving down to the smallest turbulent length scales, without resorting to turbulence or sub-grid scale modeling, and at the same time capture shock waves without spurious oscillations. The present study indicates that TVD schemes can capture the shocks accurately when they form, but (without resorting to a finer grid) have poor accuracy in computing the vortex growth. The solution accuracy depends on the choice of limiter. However a larger number of grid points are in general required to resolve the correct vortex growth. The low accuracy in computing time-dependent problems containing shock waves as well as vortical structures is partly due to the inherent shock-capturing property of all TVD schemes. In order to capture shock waves without spurious oscillations these schemes reduce to first-order near extrema and indirectly produce clipping phenomena, leading to inaccuracy in the computation of vortex growth. Accurate simulation of unsteady turbulent fluid flows with shock waves will require further development of efficient, uniformly higher than second-order accurate, shock-capturing methods.

Sandham, N. D.↗