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At least 289 records · Page 16

A Simplified Approach Based on Cellular Automata for Describing Direct Reduced Iron Production in Different Reducing Conditions

A quick computation approach based on cellular automata is developed and implemented to describe the reduction of iron ore pellets by a mixture of reducing agents featured by different H 2 /CO ratios. The evolution of oxygen concentration inside the pellet is followed from the beginning to the end of contact between reducing agent and pellet. The variation of thermal state of pellets and gas mixture is computed based on their initial temperature, considering the heat involved and the convective heat exchange between pellet and gas mixture. The use of cellular automata and finite‐difference method to solve the diffusion equation point out the absence of any diffusion coefficient value, allowing to make the model fit the experimental trial, because the problem is that it is not ruled just by diffusion but also by the concentration variation of reducing agent inside the pellet due to porosity increasing during reduction. The updating of the reducing agents concentration implies a sharp decrease of oxygen concentration that the cellular automata model considers. The developed model is able to provide the in‐line control of reduction process and could be used to adjust the chemical concentration and temperature of injected reducing agents.

Metallurgy & Metallurgical Engineering↗

Are the high-latitude torsional oscillations of the sun real

A numerical test is made to determine if the high-latitude torsional wave is generated from the low-latitude torsional pattern as a result of reduction procedures. The results indicate that the high-latitude motions are not an artifact of the analysis, but are true solar features. It is also demonstrated that the one-wave-per-hemisphere torsional oscillation does not result from the reduction procedure. These results place the observations in conflict with the predictions of alpha-omega models of the solar cycle.

Labonte, B. J.↗

Tunable Multisite Proton-Coupled Electron Transfer Mediators: Distinct Pathways for Substrate Reduction Versus Competing Hydrogen Evolution

Proton-coupled electron transfer (PCET) reagents have emerged as powerful tools for transferring net H atoms to organic substrates from relatively weak X–H bonds. One advantage of employing PCET reagents is the tunability of the X–H bond strength by independently varying their redox potential and/or p K a for selective substrate reductions; however, the rational development of modular catalytic PCET reagents based on these features remains underdeveloped. In this work, we address important mechanistic questions relevant to a dimethylaniline-appended cobaltocene PCET mediator that our lab has previously introduced. Specifically, we examine where protonation occurs within the reactive Co(II, NH) + intermediate of a Brønsted-base modified cobaltocene mediator, whether substrate reduction and hydrogen evolution reaction (HER) proceed by a common or bifurcated mechanistic pathway, and how the redox, acid–base, and structural properties of PCET mediators can dictate their reactivity and selectivity. We show that substrate compatibility can be tuned and, via a model study with N -aryl imine substrates, provide data pointing to a multisite PCET (MS-PCET) pathway. Moreover, we rigorously characterize the site of protonation in the reactive reduced, protonated form of the mediator, and through kinetic analysis establish that the pathway for undesired competing HER is fundamentally different and involves Cp-ring protonation. Our findings point to a high degree of flexibility in the design of reductive PCET mediators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single-Event Upset and Scaling Trends in New Generation of the Commercial SOI PowerPC Microprocessors

SEU from heavy-ions is measured for SOI PowerPC microprocessors. Results for 0.13 micron PowerPC with 1.1V core voltages increases over 1.3V versions. This suggests that improvement in SEU for scaled devices may be reversed. In recent years there has been interest in the possible use of unhardened commercial microprocessors in space because of their superior performance compared to hardened processors. However, unhardened devices are susceptible to upset from radiation space. More information is needed on how they respond to radiation before they can be used in space. Only a limited number of advanced microprocessors have been subjected to radiation tests, which are designed with lower clock frequencies and higher internal core voltage voltages than recent devices [1-6]. However the trend for commercial Silicon-on-insulator (SOI) microprocessors is to reduce feature size and internal core voltage and increase the clock frequency. Commercial microprocessors with the PowerPC architecture are now available that use partially depleted SOI processes with feature size of 90 nm and internal core voltage as low as 1.0 V and clock frequency in the GHz range. Previously, we reported SEU measurements for SOI commercial PowerPCs with feature size of 0.18 and 0.13 m [7, 8]. The results showed an order of magnitude reduction in saturated cross section compared to CMOS bulk counterparts. This paper examines SEUs in advanced commercial SOI microprocessors, focusing on SEU sensitivity of D-Cache and hangs with feature size and internal core voltage. Results are presented for the Motorola SOI processor with feature sizes of 0.13 microns and internal core voltages of 1.3 and 1.1 V. These results are compared with results for the Motorola SOI processors with feature size of 0.18 microns and internal core voltage of 1.6 and 1.3 V.

Irom, Farokh↗

DC-Link Current Minimization Control for Current Source Converter-Based Solid-State Transformer

This article proposes a fast predictive control method and a small DC-link inductor to minimize the DC-link current in current-source converter (CSC)-based solid-state transformer. The DC-link current minimization can significantly reduce power loss and improve efficiency. The challenge of this problem is on improving both steady-state and dynamic performance. PI control methods and large DC-link inductors are conventionally used in the CSC but have limited dynamic performance. A model predictive control (MPC) method is proposed to achieve switching-cycle-level settling time, and the DC-link inductor is sized for 40% ripple to enable fast current change. Importantly, this article also proposes to minimize the DC-link current by varying the current even within a line cycle under single-phase load to improve the steady-state performance, in contrast with the reduction to a constant value in the literature. The proposed MPC features a constant switching frequency without weighting factors. The MPC does not have a high computational burden and is implemented in a regular digital controller for a prototype of soft-switching solid-state transformer (S4T) with reduced conduction loss. The effectiveness of the proposed method has been experimentally verified on the SiC S4T prototype during steady-state and dynamics under different multiport power flow conditions up to 2 kV peak. Here, the DC-link current in the experiments is close to the minimum current with a short zero-vector duration, which further verifies the performance of the proposed method.

14 SOLAR ENERGY↗

Effects of convection electric field on the distribution of ring current type protons

The topology of the boundaries of penetration (or, inversely, the boundaries of the forbidden regions) of 90-deg pitch-angle equatorial protons with energies less than 100 keV are explored for an equatorial convection E-field which is directed in general from dawn to dusk. Due to the dependence of drift path on energy (or magnetic moment), complex structural features are expected in the proton energy spectra detected by satellites since the penetration distance of a proton is not a monotonically increasing or decreasing function of energy. During a storm when the convection E is enhanced, model calculations predict elongations of the forbidden regions analogous to tail extensions of the plasmasphere. Following a reduction in the convection field, spiral-structured forbidden regions can occur. Structural features inherent to large-scale convection field changes may be seen in the nose-like proton spectrograms observed near dusk by instrumentation on Explorer 45. These nose events are modelled by using an electric field model developed originally by Volland (1973). The strength of the field is related to the Kp index through night-time equatorial plasmapause measurements.

Grebowsky, J. M.↗

Dual-atom Ag 2 /graphene catalyst for efficient electroreduction of CO 2 to CO

Electrochemical reduction of CO 2 into value-added carbon compounds offers a promising strategy to mitigate global warming, but present challenges for chemistry due to the poor selectivity and stability of electrocatalysts. In this work, we report a dual-atom Ag 2 /graphene catalyst featuring well-defined AgN 3 -AgN 3 active site for CO 2 electrochemical reduction. This dual-atom catalyst can drive CO 2 reduction reaction at a potential as high as -0.25 V, and exhibit excellent CO Faradic efficiency up to 93.4 % with a current density of 11.87 mA cm -2 at -0.7 V and long-term stability, far surpassing the single-atom Ag 1 /graphene and the traditional silver nanoparticle catalysts. Finally, DFT calculations reveal that the dual-atom Ag site lowers the barrier for the formation of *COOH by stabilizing the *CO 2 through the concomitant interactions with the C and an O atom of CO 2 , resulting in excellent catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sterically attenuated electronic communication in cobalt complexes of meridional isoquinoline-derived ligands for applications in electrocatalysis

The ability to synthetically tune the ligand frameworks of redox-active molecules is of critical importance to the economy of solar fuels because manipulating their redox properties can afford control over the operating potentials of sustained electrocatalytic or photoelectrocatalytic processes. The electronic and steric properties of 2,2′:6′,2″-terpyridine (Terpy) ligand frameworks can be tuned by functional group substitution on ligand backbones, and these correlate strongly to their Hammett parameters. The synthesis of a new series of tridentate meridional ligands of 2,4,6-trisubstituted pyridines that engineers the ability to finely tune the redox potentials of cobalt complexes to more positive potentials than that of their Terpy analogs is achieved by aryl-functionalizing at the four-position and by including isoquinoline at the two- and six-positions of pyridine (Aryl-DiQ). Their cobalt complex syntheses, their electronic properties, and their catalytic activity for carbon dioxide (CO2) reduction are reported and compared to their Terpy analogs. The cobalt derivatives generally experience a positive shift in their redox features relative to the Terpy-based analogs, covering a complementary potential range. Although those evaluated fail to produce any quantifiable products for the reduction of CO2 and suffer from long-term instability, these results suggest possible alternate strategies for stabilizing these compounds during catalysis. We speculate that lower equilibrium association constants to the cobalt center are intrinsic to these ligands, which originate from a steric interaction between protons on the pyridine and isoquinoline moieties. Nevertheless, the new Aryl-DiQ ligand framework has been engineered to selectively tune homoleptic cobalt complexes’ redox potentials.

Chemistry↗

El Niño Related Tropical Land Surface Water and Energy Response in MERRA-2

The El Niño Southern Oscillation (ENSO) is a coupled Earth system circulation phenomena that reaches all around the globe. The heat added to the atmosphere by increased precipitation produces circulation changes that have global reach and, over time, warms the entire tropical band, and much of the Earth. Many studies have noted that El Niño causes warm and dry (and sometimes drought) conditions over tropical land masses. We develop a composite analysis of El Niño to identify the predominate features of tropical land response. This analysis shows that the land’s lagged response is related to a reduction clouds that leads to increase surface shortwave radiation that increases the surface temperature. The precipitation lag is somewhat longer, and then leads to a reduction in soil water and, in concert with increased SW induced surface warming, leads to increased sensible heating of the atmosphere above. The M2AMIP simulation generally captures these features, but the response is strongest with increased temporal and spatial proximity to the El Niño peak warming. The regionality of these features is also discussed, and it is noted that even the strongest individual El Niño events can vary from this composite mechanistic paradigm.

Bosilovich, Michael G.↗

The Interplay Between Ferroelectricity and Electrochemical Reactivity on the Surface of Binary Ferroelectric Al x B 1–x N

Polarization dynamics and domain structure evolution in ferroelectric Al 0.93 B 0.07 N are studied using piezoresponse force microscopy and spectroscopies in ambient and controlled atmosphere environments. The application of negative unipolar and bipolar first-order reverse curve (FORC) waveforms leads to a protrusion-like feature on the Al 0.93 B 0.07 N surface and a reduction of electromechanical response due to electrochemical reactivity. A surface change is also observed on the application of fast alternating current bias. At the same time, the application of positive biases does not lead to surface changes. Comparatively in a controlled glove box atmosphere, stable polarization patterns can be observed, with minuscule changes in surface morphology. This surface morphology change is not isolated to applying biases to free surface, a similar topographical change is also observed at the electrode edges when cycling a capacitor in an ambient environment. The study suggests that surface electrochemical reactivity may have a significant impact on the functionality of this material in the ambient environment. However, even in the controlled atmosphere, the participation of the surface ions in polarization switching phenomena and ionic compensation is possible.

36 MATERIALS SCIENCE↗

Machine learning pipeline for denoising low signal-to-noise ratio and out-of-distribution transmission electron microscopy datasets

High-resolution transmission electron microscopy (HRTEM) is crucial for observing material’s structural and morphological evolution at Angstrom scales, but the electron beam can alter these processes. Devices such as CMOS-based direct-electron detectors operating in electron-counting mode can be utilized to substantially reduce the electron dosage. However, the resulting images often lead to a low signal-to-noise ratio, which requires frame integration that sacrifices temporal resolution. Several machine learning (ML) models have been recently developed to successfully denoise HRTEM images. Yet, these models are often computationally expensive, and their inference speeds on GPUs are outpaced by the imaging speed of advanced detectors, precluding in situ analysis. Furthermore, the performance of these denoising models on datasets with imaging conditions that deviate from the training datasets has not been evaluated. To mitigate these gaps, we propose a new self-supervised ML denoising pipeline specifically designed for time-series HRTEM images. This pipeline integrates a blind-spot convolution neural network with pre-processing and post-processing steps, including drift correction and low-pass filtering. Results demonstrate that our model outperforms various other ML and non-ML denoising methods in noise reduction and contrast enhancement, leading to improved visual clarity of atomic features. Additionally, the model is drastically faster than U-Net-based ML models and demonstrates excellent out-of-distribution generalization. The model’s computational inference speed is in the order of milliseconds per image, rendering it suitable for application in in-situ HRTEM experiments.

36 MATERIALS SCIENCE↗

Photosynthetic biohybrid systems for solar fuels catalysis

Photosynthetic reaction center (RC) proteins are finely tuned molecular systems optimized for solar energy conversion. RCs effectively capture and convert sunlight with near unity quantum efficiency utilizing light-induced directional electron transfer through a series of molecular cofactors embedded within the protein core to generate a long-lived charge separated state with a useable electrochemical potential. Of current interest are new strategies that couple RC chemistry to the direct synthesis of energy-rich compounds. This Feature Article highlights recent work from our lab on RC and RC-inspired hybrid systems that capture the Sun's energy and convert it to chemical energy in the form of H2, a carbon-neutral energy source derived from water. Further, biohybrids made from the Photosystem I (PSI) RC are among the best photocatalytic H2-producing protein hybrids to date. Targeted self-assembly strategies that couple abiotic catalysts to PSI translate to catalyst incorporation at intrinsic PSI sites within thylakoid membranes to achieve complete solar water-splitting systems. RC-inspired biohybrids interface synthetic photosensitizers and molecular catalysts with small proteins to create photocatalytic systems and enable the spectroscopic discernment of the structural features and electron transfer processes that underpin solar-driven proton reduction. In total, these studies showcase the incredible scientific opportunities photosynthetic biohybrid research provides for harnessing the optimal qualities of both artificial and natural photosynthetic systems and developing materials that capture, convert, and store solar energy as a fuel.

14 SOLAR ENERGY↗

Future development programs

A company program was planned which has a main drive to develop those emission reduction concepts that have the promise of earliest success. These programs were proposed in an attempt to enhance existing engine systems, exploiting their potential for emission reduction as far as is compatible with retaining the well established features in them that are well understood and in current production. The intended programs identified in the area of new concepts were: (1) upgrading the TCM fuel system, (2) evaluation of accelerator pump, (3) reduced cooling requirement, and (4) variable spark timing.

Waters, L.↗

AC motor and generator requirements for isolated WECS

After surveying electrically driven loads used on productive farms, the investigators chose three pumps for testing at voltages and frequencies far outside the normal operating range. These loads extract and circulate water and move heat via air, and all are critical to farm productivity. The object was to determine the envelope of supply voltage and frequency over which these loads would operate stably for time intervals under 1 hour. This information is among that needed to determine the feasibility of supplying critical loads, in case of a utility outage, from a wind driven alternator whose output voltage and frequency will vary dramatically in most continental wind regimes. Other related work is surveyed. The salient features and limitations of the test configurations used and the data reduction are described. The development of simulation models suitable for a small computer are outlined. The results are primarily displayed on the voltage frequency plane with the general conclusion that the particular pump models considered will operate over the range of 50 to 90 Hz and a voltage band which starts below rated, decreases as frequency decreases, and is limited on the high side by excessive motor heating. For example, centrifugal pump operating voltage ranges as extensive .4 to 1.4 appear possible. Particular problems with starting, stalling due to lack of motor torque, high speed cavitation, and likely overheating are addressed in a listing of required properties for wind driven alternators and their controllers needed for use in the isolated or stand alone configuration considered.

Park, G. L.↗

PLAN-IT-2: The next generation planning and scheduling tool

PLAN-IT is a scheduling program which has been demonstrated and evaluated in a variety of scheduling domains. The capability enhancements being made for the next generation of PLAN-IT, called PLAN-IT-2 is discussed. PLAN-IT-2 represents a complete rewrite of the original PLAN-IT incorporating major changes as suggested by the application experiences with the original PLAN-IT. A few of the enhancements described are additional types of constraints, such as states and resettable-depletables (batteries), dependencies between constraints, multiple levels of activity planning during the scheduling process, pattern constraint searching for opportunities as opposed to just minimizing the amount of conflicts, additional customization construction features for display and handling of diverse multiple time systems, and reduction in both the size and the complexity for creating the knowledge-base to address the different problem domains.

Eggemeyer, William C.↗

Altair Lander Life Support: Design Analysis Cycles 1, 2, and 3

NASA is working to develop a new lunar lander to support lunar exploration. The development process that the Altair project is using for this vehicle is unlike most others. In Lander Design Analysis Cycle 1 (LDAC-1), a single-string, minimum functionality design concept was developed, including life support systems for different vehicle configuration concepts, first for a combination of an ascent vehicle and a habitat with integral airlocks, and then for a combined ascent vehicle-habitat with a detachable airlock. In LDAC-2, the Altair team took the ascent vehicle-habitat with detachable airlock and analyzed the design for the components that were the largest contributors to the risk of loss of crew (LOC). For life support, the largest drivers were related to oxygen supply and carbon dioxide control. Integrated abort options were developed at the vehicle level. Many life support failures were not considered to result in LOC because they had a long enough time to effect that abort was considered a feasible option to safely end the mission before the situation became life threatening. These failures were then classified as loss of mission (LOM) failures. Many options to reduce LOC risk were considered, and mass efficient solutions to the LOC problems were added to the vehicle design at the end of LDAC-2. In LDAC-3, the new design was analyzed for large contributors to the risk of LOM. To avoid ending the mission early or being unable to accomplish goals like performing all planned extravehicular activities (EVAs), various options were assessed for their combination of risk reduction and mass cost. This paper outlines the major assumptions, design features, and decisions related to the development of the life support system for the Altair project through LDAC-3.

Anderson, Molly↗

The residue-measure criterion for model reduction in the analysis of the NASA Space Shuttle's digital flight control system

A residue-measure criterion model reduction technique is applied to the vehicle dynamics model used in the design and analysis of the NASA Space Shuttle's digital flight control system. As implemented in this study the residue-measure technique involved an a priori residue calculation with control system biasing. The predictions of the reduced model are compared to vehicle level dynamic stability test data. These comparisons show an excellent correlation of the dominant spectral and response features between the model and test data. In addition, the application of the reduction technique to various Shuttle mission flight phases is demonstrated.

Gluch, D. P.↗