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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31

SPE-CZE-MS Quantifies Zeptomole Amounts of Phosphorylated Peptides

Capillary zone electrophoresis (CZE) is gaining attention in the field of single-cell proteomics for its ultralow-flow and high-resolution separation abilities. Even more sample-limited yet rich in biological information are phosphoproteomics experiments, as the phosphoproteome composes only a fraction of the whole cellular proteome. Rapid analysis, high sensitivity, and maximization of sample utilization are paramount for single-cell analysis. Some challenges of coupling CZE analysis with mass spectrometry analysis (MS) of complex mixtures include 1. sensitivity due to volume loading limitations of CZE and 2. incompatibility of MS duty cycles with electropherographic time scales. Here, we address these two challenges as applied to singlecell- equivalent phosphoproteomics experiments by interfacing a microchip-based CZE device integrated with a solid-phaseextraction (SPE) bed with the Orbitrap Astral mass spectrometer. Using 225 phosphorylated peptide standards and phosphorylated peptide-enriched mouse brain tissue, we investigate microchip-based SPE-CZE functionality, quantitative performance, and complementarity to nano-LC-MS (nLC-MS) analysis. We highlight unique SPE-CZE separation mechanisms that can empower fitfor- purpose applications in single-cell-equivalent phosphoproteomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving Bending Moment Measurements on Wind Turbine Blades

Full-scale fatigue testing of wind turbine blades is conducted using resonance test techniques where the blade plus additional masses is excited at its first resonance frequency to achieve the target loading amplitude. Because there is not a direct relationship between the force applied by an actuator and the bending moment, the blade is instrumented with strain gauges that are calibrated under static loading conditions to determine the sensitivity or relationship between strain and applied moment. Then, during dynamic loading the applied moment is calculated using the strain response of the structure. A similar procedure is also used in the field to measure in-service loads on turbine blades. Because wind turbine blades are complex twisted structures and the deflections are large, there is often significant cross-talk coupling in the sensitivity of strain gauges placed on the structure. Recent work has shown that a sensitivity matrix with nonzero cross terms must be employed to find constant results when a blade is subjected to both flap and lead-lag loading. However, even under controlled laboratory conditions, potential for errors of 3 percent or more in the measured moment exist when using the typical cross-talk matrix approach due to neglecting the influence of large deformations and torsion. This is particularly critical when considering a biaxial load as would be applied on the turbine or during a biaxial fatigue test. This presentation describes these results demonstrating errors made when performing current loads measurement practices on wind turbine blades in the lab and evaluating potential improvements using enhanced cross-talk matrix approaches and calibration procedures.

17 WIND ENERGY↗

An intelligent energy router for managing behind-the-meter resources and assets

With increase in distributed energy resources (DERs) and smart loads, each energy resource and load need a separate power conversion system leading to complex coordination and interaction, reduced energy conversion efficiency, coordinating compliance to grid standards (IEEE 1547) from multiple sources, reduced security. Also, multiple vendors with legacy system designs and proprietary communications interfaces result in redundancy and increase in cost of power electronics systems. This paper presents an energy router concept for buildings applications which provides autonomous power flow between sources and loads with a novel agent-based software interface.

Chinthavali, Madhu Sudhan↗

The heterogeneous nature of mechanically accelerated grain growth

Abstract While grain growth is traditionally viewed as a purely thermally driven process, nanocrystalline metals can undergo grain growth under mechanical loads, even at room temperature. We performed a detailed atomistic study of the heterogeneous nature of mechanically accelerated grain growth in a polycrystalline Pt nanowire. Using molecular dynamics simulations, we compared the grain-growth behavior of individual grains during tensile and shear cyclic loading, for three different equivalent strain levels, and at two temperatures. Pure thermal grain growth with no mechanical loading provided a baseline reference case. On average, grains that were already susceptible to thermal grain growth were stimulated to grow faster with mechanical loading, as expected. However, when analyzed on a grain-by-grain basis, the results were far more complex: grains that grew fastest under one stimuli were less accelerated under other stimuli. Even when the magnitude of loading changed, the relative growth of individual grains was distorted. We interpret this complexity from the perspective of superimposed growth mechanisms.

Chen, Elton Y.↗

Phosphate and phytate adsorption and precipitation on ferrihydrite surfaces

Phosphorous (P) sorption on mineral surfaces largely controls P mobility and bioavailability, hence its pollution potential, but the sorption speciation and mechanism remain poorly understood. In this study, we have identified and quantified the speciation of both phosphate and phytate sorbed on ferrihydrite with various P loadings at pH 3–8 using differential atomic pair distribution function (d-PDF) analysis, synchrotron-based X-ray diffraction (XRD), and P and Fe K-edge X-ray absorption near edge structure (XANES) and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy. With increasing P sorption loading for both phosphate and phytate, the sorption mechanism transits from bidentate-binuclear surface complexation to unidentified ternary complexation and to precipitation of amorphous FePO 4 and amorphous Fe-phytate. At a given P sorption loading, phosphate precipitates more readily than phytate. Both phosphate and phytate promote ferrihydrite dissolution with phytate more intensively, but the dissolved FeIII concentration in the bulk solution is low because the majority of the released Fe III precipitate with the anions. Results also show that amorphous FePO 4 and amorphous Fe-phytate have similar PO 4 local coordination environment. In conclusion, these new insights into the P surface complexation and precipitation, and the ligand-promoted dissolution behavior improve our understanding of P fate in soils, aquatic environment and water treatment systems as mediated by mineral-water interfacial reactions.

54 ENVIRONMENTAL SCIENCES↗

Wind turbine generator application places unique demands on tower design and materials

The most relevant contractual tower design requirements and goal for the Mod-1 tower are related to steel truss tower construction, cost-effective state-of-the-art design, a design life of 30 years, and maximum wind conditions of 120 mph at 30 feet elevation. The Mod-1 tower design approach was an iterative process. Static design loads were calculated and member sizes and overall geometry chosen with the use of finite element computer techniques. Initial tower dynamic characteristics were then combined with the dynamic properties of the other wind turbine components, and a series of complex dynamic computer programs were run to establish a dynamic load set and then a second tower design.

Kita, J. P.↗

Virtual diffraction simulations using the quasi-coarse-grained dynamics method to understand and interpret plasticity contributions during in situ shock experiments

The dynamic deformation response of metallic materials has contributions from dislocations, deformation twinning, and plastic deformation. The current state-of-art techniques can detail the complex mechanistic history of deformation modes under shock loading in real-time using in situ X-ray diffraction (XRD). However, the capability of these experiments to unravel plasticity contributions is challenging due to limitations in interpreting results and the lack of validation from atomistic simulations. Molecular dynamics (MD) simulations can successfully capture various deformation modes in metals and complement experiments using simulated diffractograms at various stages of evolution. However, the difference in length and time scales of MD simulations and experiments is a substantial obstacle in completing and interpreting in situ diffractograms. Therefore, the existing modeling methods require various approximations to model defect evolution and interaction at the mesoscales. However, while using approximations to correlate the peak broadening behavior to the density of dislocations or the shifts/splitting due to the presence of twins, the interpretations of the plasticity contributions from diffractograms are non-trivial, especially when multiple modes of deformation may be operating. This viewpoint discusses combining a mesoscale modeling method called quasi-coarse-grained dynamics and virtual XRD to characterize the plasticity contributions in BCC metals from slip, twinning, and phase transformation behavior. Furthermore, the combined approach shows promise in bridging the mesoscale gap between the capabilities of atomic-scale simulations and in situ experiments to characterize the dynamic deformation of materials.

36 MATERIALS SCIENCE↗

In-situ observations of cyclic deformation in an extruded Mg-2Nd-1Y-0.1Zr-0.1Ca alloy

In this study, the evolution of deformation mechanisms during cyclic loading in an extruded, solution-treated Mg–2Nd–1Y–0.1Zr–0.1Ca alloy was investigated using a combination of in-situ loading, scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), and focused ion beam (FIB) nanofabrication. The initial microstructure exhibited a random crystallographic texture with no preferred grain orientation. Flat, rectangular dog-bone specimens were subjected to load-controlled, fully reversed fatigue for 50 cycles, during which the same region was sequentially mapped to track microstructural changes. After 10 cycles of loading deformation twins were observed. During tensile reloading detwinning or narrowing of those twinned regions occurred. After 20 cycles, detwinning ceased and residual twins remained in the material. SEM imaging revealed numerous surface slip traces after cyclic loading. EBSD-assisted slip trace analysis identified the activation of prismatic and pyramidal < c+a> slip systems during low-cycle fatigue. Site-specific scanning transmission electron microscopy (STEM) further revealed that deformation was also accommodated by basal < a> slip and the dissociation of < c+a> dislocations. Center-of-symmetry (COS) analysis confirmed that the dissociation of < c+a> dislocations resulted in the formation of I₁ intrinsic stacking faults after cyclic loading. These findings provide new insights into the complex interplay of dislocation mechanisms governing fatigue deformation in rare-earth-containing Mg alloys.

Cyclic deformation↗

Confinement effects and acid strength in zeolites

Chemical reactivity and sorption in zeolites are coupled to confinement and—to a lesser extent—to the acid strength of Brønsted acid sites (BAS). In presence of water the zeolite Brønsted acid sites eventually convert into hydronium ions. The gradual transition from zeolite Brønsted acid sites to hydronium ions in zeolites of varying pore size is examined by ab initio molecular dynamics combined with enhanced sampling based on Well-Tempered Metadynamics and a recently developed set of collective variables. While at low water content (1–2 water/BAS) the acidic protons prefer to be shared between zeolites and water, higher water contents (n > 2) invariably lead to solvation of the protons within a localized water cluster adjacent to the BAS. At low water loadings the standard free energy of the formed complexes is dominated by enthalpy and is associated with the acid strength of the BAS and the space around the site. Conversely, the entropy increases linearly with the concentration of waters in the pores, favors proton solvation and is independent of the pore size/shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Active disturbance rejection controller for chemical reactor

In the petrochemical industry, the synthesis of 2 ethyl-hexanol-oxo-alcohols (plasticizers alcohol) is of high importance, being achieved through hydrogenation of 2 ethyl-hexenal inside catalytic trickle bed three-phase reactors. For this type of processes the use of advanced control strategies is suitable due to their nonlinear behavior and extreme sensitivity to load changes and other disturbances. Due to the complexity of the mathematical model an approach was to use a simple linear model of the process in combination with an advanced control algorithm which takes into account the model uncertainties, the disturbances and command signal limitations like robust control. However the resulting controller is complex, involving cost effective hardware. This paper proposes a simple integer-order control scheme using a linear model of the process, based on active disturbance rejection method. By treating the model dynamics as a common disturbance and actively rejecting it, active disturbance rejection control (ADRC) can achieve the desired response. Simulation results are provided to demonstrate the effectiveness of the proposed method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interleaved dual-species arrays of single atoms using a passive optical element and one trapping laser

We demonstrate trapping of individual rubidium (Rb) and cesium (Cs) atoms in an interleaved array of bright tweezers and dark bottle-beam traps, using a microfabricated optical element illuminated by a single-laser beam and a 4f system with spatial filtering. Our approach exploits the opposite-sign dynamic polarizabilities of Rb and Cs, ensuring that each species is exclusively trapped in either bright or dark sites. The passive optical mask creates optimal trap depths for both species using three transmittance levels while minimizing the optical phase difference, implemented using a variable-thickness absorbing layer of amorphous germanium. This trapping architecture achieves atom loading rates close to 50% while reducing system complexity compared to conventional methods using active optoelectronic components and/or multiple-laser wavelengths.

Fang, Chengyu [Univ. of Wisconsin, Madison, WI (Un↗

Documentation for MeshKit - Reactor Geometry (&mesh) Generator

This report gives documentation for using MeshKit’s Reactor Geometry (and mesh) Generator (RGG) GUI and also briefly documents other algorithms and tools available in MeshKit. RGG is a program designed to aid in modeling and meshing of complex/large hexagonal and rectilinear reactor cores. RGG uses Argonne’s SIGMA interfaces, Qt and VTK to produce an intuitive user interface. By integrating a 3D view of the reactor with the meshing tools and combining them into one user interface, RGG streamlines the task of preparing a simulation mesh and enables real-time feedback that reduces accidental scripting mistakes that could waste hours of meshing. RGG interfaces with MeshKit tools to consolidate the meshing process, meaning that going from model to mesh is as easy as a button click. This report is designed to explain RGG v 2.0 interface and provide users with the knowledge and skills to pilot RGG successfully. Brief documentation of MeshKit source code, tools and other algorithms available are also presented for developers to extend and add new algorithms to MeshKit. RGG tools work in serial and parallel and have been used to model complex reactor core models consisting of conical pins, load pads, several thousands of axially varying material properties of instrumentation pins and other interstices meshes.

Jain, Rajeev↗

Advanced SOFC quality control and the role of manufacturing defects on stack reliability

Atrex Energy rolled out first commercial SOFC generator products in 2013. Following that we embarked on implementation of mass production in order to ramp up productivity and lower the costs in the meantime. To ensure the goal of mass production, an accurate, cost effective and consistent quality control methodology needs to be in place. The aim of this DOE funded project is to devise a machine and methodology for cell quality control using modern non-destructive testing methods and cell rejection criterion based on the empirical determination of the role of manufacturing flaws on stack degradation and reliability. The work scope encompasses two goals aimed at 1) developing automatable techniques for objective flaw detection and 2) developing an understanding of the ramifications of flaws on stack and cell reliability. By accomplishing these two goals it is likely that an advanced stage Quality Control (QC) device can be developed. This project scope encompasses: 1) Invention of a high speed automated instrument for spatial mapping of surface and sub-surface imperfections in production cells (ex situ) using modern imaging techniques. 2) Identification of rejection criteria upon which to screen cells from production by: a. Magnification of the effect of production defects on cell degradation through fabrication and testing of micro-cells which encompass these imperfections. b. The long term testing of full size production cells both as single cells and in small stacks, in order to correlate the (in situ) performance and degradation with the imperfection type (identified ex-situ) and hence be able to classify imperfections as actual defects. We first built a defect library with the cells containing imperfections classified and documented. The cells with various imperfections were tested to evaluate the imperfection potential impact on cell electrochemical performance. Evaluations were conducted on minicell, single cell and stack levels. On minicell level, pinhole, scratch, crack, contamination, and pop-out were investigated. We found: (1) none of the imperfections causes calamity type failure, (2) pinholes do not show measurable effect on minicell performance, (3) imperfection such as electrolyte abrasion, scratch, and pop out cause minicell potential to fluctuate by different degrees; the cells with such imperfections exhibit sensitivity of potential to high fuel utilization and “self healing” behavior. On single cell level we evaluated the effect of long crack and high population pinholes. The cell with a long crack does not show performance compromise at start. There is no potential fluctuation or sensitivity to high fuel utilization or catastrophic failure. The voltage degradation due to thermal cycle is slightly higher than normal cells. The cells with high population pinholes perform surprisingly as well as normal cells over a period of 3,500h. Even when subjected to cyclic load condition, the cells 4 show negligible degradation. Our cells appear to have “self immunization” feature which fends off the adversary effects of certain imperfections. Defects were also evaluated on stack level. Two stacks were made each with ten defect cells. The first stack was tested for 13,2000h under steady load condition while the second was tested for 9,000h under transient load conditions. We found: (1) voltage fluctuation and sensitivity to thermal cycle were not observed in contrast to minicell test, (2) of the various cracks examined, including longitudinal cracks, circumferential crack, crack near closed and open ends, none exhibited distinguishable impact on performance, (3) defect cells exhibited higher degradation rates on average under steady load condition; Individually some defect cells performed similarly or better than reference cells, (4) under steady load condition all the cells degrade monotonically with degradation rate increasing with time, (5) under cyclic (transient) load condition, both defect and reference cells exhibit complex dynamic behaviors, (6) fuel loss (leak) was measured occasionally for stack 1, the cells with crack showed the highest fuel loss increase, nevertheless, no correlation with performance degradation could be established with certainty, and (7) no catastrophic failure ever happened other than incremental degradation. Posttest inspection and microanalysis were carried out; the observations are summarized in what follows: (1) Electrolyte pinholes, some scratches and IC porosity became undetectable after testing. (2) The cathode covering the popout defects is intact without any cracking or delamination. (3) The scratch was covered by cathode in pristine state; Ni oxide or NiO-YSZ filled the space where electrolyte was missing. After >10,000h operation, the cathode that used to cover the scratch was missing but the size of the scratch remains unchanged; there is a fairly dense Ni oxide layer on top of the scratch. (4) All of the cracks remain their original dimensions. Current collector kept longitudinal cracks closed which mitigated the adversary effect of crack on cell performance/durability. (5) The crack at open end showed some deterioration manifested by a small oxidation zone in the vicinity of the crack. Wide spectrum of imaging techniques were surveyed and evaluated to detect tubular SOFC defects. Optical methods, with and without assistance of expression technique, were applied to detect all kinds of defects. Thermograph method in combination of CO2 leak, ultra-sound and electric potential was also extensively evaluated to detect surface and under-surface defects such as short circuit. Based on these works, laser camera has been selected to build the final QC machine vision inspection system. The Gocator laser profile sensor was setup to generate 2D surface intensity images of tubular SOFC surface which were analyzed with Sherlock machine vision software supplied by Teledyne Dalsa. The Gocator output was integrated with the Sherlock software and enabled live images to be imported by a Common Vision Blox driver. The Sherlock software was programmed to detect various surface defects from the surface intensity images generated by the Gocator. These measurements are subsequently used to make pass or fail decisions.

01 COAL, LIGNITE, AND PEAT↗

Polyalkylene Glycol (PAG) Based Lubricant for Light & Medium Duty Axles

The axle lubricant (SAE 75W-140) widely used in the market place over the last few years is primarily formulated from polyalpha olefin (PAO) basestock. This investigation focused on polyalkylene glycol (PAG) base stock which is significantly different chemically from PAO and because of their polar nature it is hypothesized that it can adsorb relatively easily on contacting surfaces resulting in significant friction reduction and improve fuel economy. Axle efficiency is generally quite high at high torque range but it could be quite low at low torque range representative of EPA drive cycles. Therefore, this project primarily focus on improving axle efficiency in the low torque range while maintaining all durability attributes. The objective of this project is to develop novel lubricant formulations that are expected to improve the fuel efficiency of light, medium, heavy-duty, and military vehicles by at least 2% over Society of Automotive Engineers (SAE) 75W-140 axle lubricants (improvement based on comparative results from engine dynamometer testing, chassis dynamometer testing or test track, e.g., SAE J1321) without adverse impacts on vehicle performance or durability. The proposed research project followed a structured approach beginning with lubricant formulations by varying base oil chemistry and additive components followed by physical property characterization. Lubricant performance evaluations started with simple laboratory friction, wear, oxidation, and corrosion tests which guided into identification of performance areas requiring improvements. This required an iterative lubricant reformulation. Once a few acceptable formulations were identified, they are evaluated in more complex component tests including ASTM tests (L-37 - load carrying capacity under low speed and high torque, L42 – load carrying properties under high speed and shock loading, L-60 - thermal and oxidative stability, and L-33-1 moisture corrosion resistance). Two issues were observed following L-42 tests; toxicological and foaming. This required reformulation and repeating all ASTM tests. During repeat tests it was observed that some of the additives precipitated out of solution. Since it was discovered quite late in the program, and the time it may need to find a solution to this issue, the team changed direction of the program to switch to use of an oil soluble PAG as a co-basestock (15-30%) with mineral oil used in a commercial formulation (SAE 75W-85). This formulation strategy helped passing all ASTM tests. This was followed by Ford proprietary axle efficiency, gear wear, and chassis roll dynamometer tests for fuel economy evaluations. Axle efficiency was improved up to 7% when a full PAG formulation was used but no such significant improvement was observed with PAG as co-basestock formulation. Chassis roll fuel economy improved by 1.9% with PAG co-basestock formulation (conforming to SAE 75W-85) compared to SAE 75W-140 baseline. However, it was observed that the improvement is mostly due to reduced viscosity of candidate formulation when compared to a full mineral oil based SAE 75W-85 formulation. PAG as co-basestock also exhibited unacceptable wear in proprietary gear wear test. This investigation highlighted challenges with PAG formulations including identification of additive components that stay in PAG solution for intended duration, and meeting component durability requirement.

36 MATERIALS SCIENCE↗

Machine Learning Solutions for a Stable Grid Recovery

Grid operating security studies are typically employed to establish operating boundaries, ensuring secure and stable operation for a range of operation under NERC guidelines. However, if these boundaries are severely violated, existing system security margins will be largely unknown, as would be a secure incremental dispatch path to higher security margins while continuing to serve load. As an alternative to the use of complex optimizations over dynamic conditions, this work employs the use of machine learning to identify a sequence of secure state transitions which place the grid in a higher degree of operating security with greater static and dynamic stability margins. Several reinforcement learning solution methods were developed using deep learning neural networks, including Deep Q-learning, Mu-Zero, and the continuous algorithms Proximal Reinforcement Learning, and Advantage Actor Critic Learning. The work is demonstrated on a power grid with three control dimensions but can be scaled in size and dimensionality, which is the subject of ongoing research.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Structure parameters in rotating Couette-Poiseuille channel flow

It is well-known that a number of steady state problems in fluid mechanics involving systems of nonlinear partial differential equations can be reduced to the problem of solving a single operator equation of the form: v + lambda Av + lambda B(v) = 0, v is the summation of H, lambda is the summation of one-dimensional Euclid space, where H is an appropriate (real or complex) Hilbert space. Here lambda is a typical load parameter, e.g., the Reynolds number, A is a linear operator, and B is a quadratic operator generated by a bilinear form. In this setting many bifurcation and stability results for problems were obtained. A rotating Couette-Poiseuille channel flow was studied, and it showed that, in general, the superposition of a Poiseuille flow on a rotating Couette channel flow is destabilizing.

Knightly, George H.↗

Response of discretely stiffened structures

This paper presents a theoretical study on dynamic response of complex discretely stiffened and interconnected structures to random loads. Modal and transfer matrix techniques are utilized to analyze these multidimensional structures. Application of this formulation for response and noise generation studies in space station and fuselage-wing design is discussed. The response spectral densities are calculated for several typical discretely stiffened and interconnected structural systems. It is found that this approach allows for easy parametric evaluation and that by proper selection of structural parameters and loading conditions, the vibration response can be reduced.

Vaicaitis, R.↗

Fuzzy logic based robotic controller

Existing Proportional-Integral-Derivative (PID) robotic controllers rely on an inverse kinematic model to convert user-specified cartesian trajectory coordinates to joint variables. These joints experience friction, stiction, and gear backlash effects. Due to lack of proper linearization of these effects, modern control theory based on state space methods cannot provide adequate control for robotic systems. In the presence of loads, the dynamic behavior of robotic systems is complex and nonlinear, especially where mathematical modeling is evaluated for real-time operators. Fuzzy Logic Control is a fast emerging alternative to conventional control systems in situations where it may not be feasible to formulate an analytical model of the complex system. Fuzzy logic techniques track a user-defined trajectory without having the host computer to explicitly solve the nonlinear inverse kinematic equations. The goal is to provide a rule-based approach, which is closer to human reasoning. The approach used expresses end-point error, location of manipulator joints, and proximity to obstacles as fuzzy variables. The resulting decisions are based upon linguistic and non-numerical information. This paper presents a solution to the conventional robot controller which is independent of computationally intensive kinematic equations. Computer simulation results of this approach as obtained from software implementation are also discussed.

Attia, F.↗