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At least 577 records · Page 32

Muconic acid production from algae hydrolysate as a high-value co-product of an algae biorefinery

Muconic acid is an attractive bio-derived product because it can be easily converted to adipic acid, a high-value and high-volume monomer used in the production of nylon and other valuable consumer plastics. As such, production of muconic acid from algae hydrolysate was explored to expand the suite of products available from algal biomass. Here we have established initial performance parameters and have shown that the range of substrates present in algae hydrolysate that are consumed by Pseudomonas putida includes at least glucose, mannose, glycerol, acetic acid, and lactic acid. We achieved complete utilization of these major carbon sources found in Scenedesmus acutus hydrolysate with a maximum muconic acid productivity of 0.25 g/L h. Final titer was 13.0 g/L (27% molar process yield) at approximately 50 h. In addition, algae hydrolysate does not require any additional nutrients to achieve these performance metrics. Techno-economic analysis showed the potential to support up to 150 algal biorefineries at this yield with significant greenhouse gas reductions.

09 BIOMASS FUELS↗

Failure Modes of Platinized pn+-GaInP Photocathodes for Solar-Driven H2 Evolution

The long-term stability for the hydrogen-evolution reaction (HER) of homojunction pn+-Ga0.52In0.48P photocathodes (band gap = 1.8 eV) with an electrodeposited Pt catalyst (pn+-GaInP/Pt) has been systematically evaluated in both acidic and alkaline electrolytes. Electrode dissolution during chronoamperometry was correlated with changes over time in the current density-potential (J-E) behavior to reveal the underlying failure mechanism. Pristine pn+-GaInP/Pt photocathodes yielded an open-circuit photopotential (Eoc) as positive as >1.0 V vs the potential of the reversible hydrogen electrode (RHE) and a light-limited current density (Jph) of >12 mA cm-2 (1-sun illumination). However, Eoc and Jph gradually degraded at either pH 0 or pH 14. The performance degradation was attributed to three different failure modes: (1) gradual thinning of the n+-emitter layer due to GaInP dissolution in acid; (2) active corrosion of the underlying GaAs substrate at positive potentials causing delamination of the upper GaInP epilayers; and (3) direct GaAs/electrolyte contact compromising the operational stability of the device. This work reveals the importance of both substrate stability and structural integrity of integrated photoelectrodes toward stable solar fuel generation.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,S↗

Systematic improvement of redox potential calculation of Fe(III)/Fe(II) complexes using a three-layer micro-solvation model

Electrochemical transformations of metal ions in aqueous media are challenging to model accurately due to the dynamic solvation structure surrounding ions at different charge states. Predictive modeling at the atomistic scale is essential for understanding these solvation architectures but is often computationally prohibitive. In this contribution, we present a simple, fast, and accurate three-layer micro-solvation model to evaluate the redox potential of metal ions in aqueous solutions. Our model, developed and validated for Fe 3+ /Fe 2+ redox potentials, combines the DFT-based geometry optimizations of the octahedral Fe complex with two layers of explicit water molecules to capture solute–solvent interactions and an implicit solvation model to account for bulk solvent effects. This approach yields accurate predictions for Fe 3+ /Fe 2+ redox potentials in water, achieving errors of 0.02 V with ωB97X-V, 0.01 V with ωB97X-D3, 0.04 V with ωB97M-V, and 0.02 V with B3LYP-D3 functionals. We further demonstrate the generality of our model by applying it to additional metal complexes, including the challenging Fe(CN) 6 3−/4− system, where our model successfully achieves close agreement with experimental values, with an error of 0.07 V and an average error of 0.21 V for all five systems. In summary, the presented simple solvation model has broad applicability and potential for enhancing computational efficiency in redox potential predictions across various chemical and industrial processes of metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bipolar membrane polarization behavior with systematically varied interfacial areas in the junction region

The palette of applications for bipolar membranes (BPMs) has expanded recently beyond electrodialysis as they are now being considered for fuel cell and electrolysis applications. Their deployment in emerging electrochemical technologies arises from the need to have a membrane separator that provides disparate pH environments and to prevent species crossover. Most materials research for BPMs has focused on water dissociation catalysts and less emphasis has been given to the design of the polycation–polyanion interface for improving BPM performance. Here, soft lithography fabricated a series of micropatterned BPMs with precise control over the interfacial area in the bipolar junction. Polarization experiments showed that a 2.28× increase in interfacial area led to a 250 mV reduction in the onset potential. Additionally, the same increase in interfacial area yielded marginal improvements in current density due to the junction region being under kinetics-diffusion control. A simple physics model based on the electric field of the junction region rationalized the reduction in the overpotential for water dissociation as a function of interfacial area. Finally, the soft lithography approach was also conducive for fabricating BPMs with different chemistries ranging from perfluorinated polymer backbones to alkaline stable poly(arylene) hydrocarbon polymers. These polymer chemistries are better suited for fuel cell and electrolysis applications. The BPM featuring the alkaline stable poly(terphenyl) anion exchange membrane had an onset potential of 0.84 V, which was near the thermodynamic limit, and was about 150 mV lower than a commercially available variant.

25 ENERGY STORAGE↗

Impacts of 1.5 °C and 2.0 °C global warming above pre-industrial on potential winter wheat production of China

Keeping global temperatures below 2.0 °C above pre-industrial condition and pursuing efforts toward the more ambitious 1.5 °C goal in the late 21st century was the main target from the Paris Agreement in 2015. Here we assessed the likely challenges for the China’s winter wheat production under 1.5 °C and 2.0 °C increase of global temperature, with four wheat crop models (CERES-Wheat, Nwheat, WheatGrow, and APSIM-Wheat) and the latest climate projections from the Half a degree Additional warming, Prognosis and Projected Impacts project (HAPPI). Instead of using average “winter type” wheat cultivar, and same management and soil inputs for whole region, location-specific winter wheat cultivars with local agronomic information were calibrated for each of the representative wheat growing area of China, allowing a better spatial agronomic representation of the whole wheat planting area. The mean growing season temperature (GST) during the winter wheat vegetative stage was projected to increase by 0.6 to 1.4 °C for the 1.5 °C scenario, and 0.9 to 1.8 °C for the 2.0 °C scenario, while during the reproductive stage was decreased between 0 and 0.9 °C for the 1.5 °C scenario and -0.3 and 1.1 °C for the 2.0 °C scenario. Growing season duration (GSD) for the whole period was shortened by 6 to 15 days for the 1.5 °C scenario and 8 to 18 days for the 2.0 °C scenario, as a result of higher GST under global warming. Increase in GST and decrease in GSD was more obvious in the Southwest Subregion (SWS) than subregions in the north. The shortening GSD for the whole wheat growth period was mostly from the shortening vegetative period, as no appreciable difference in number of days from anthesis to maturity was found for the whole regions. Although there is variability among models, the indication is that wheat yields were projected to increase in the North Subregion (NS), the Huang-Huai Subregion (HHS), and the Middle-lower Researches of Yangzi River Subregion (MYS), but to decrease in the SWS under two warming scenarios. The effects of elevated CO2 concentration were mostly beneficial and tended to offset the negative impacts of increasing temperature at both global warming scenarios, with a rate of 7-14% yield increase per 100-ppm, except for locations with GST of baseline higher than 11 °C. Aggregating to regional wheat production, the total winter wheat production of China was projected to increase by 2.8% (1.6% to 3.0%, 25th percentile to 75th percentile) and 8.3% (7.0% to 9.6%, 25th percentile to 75th percentile) under 1.5 °C and 2.0 °C scenarios, and most of increase was observed in the north subregions due to the largest wheat planting area. Our results will lay the foundation for developing adaptation strategies to future climate change to ensure China and global wheat supply and food security.

Winter wheat↗

Direct Evidence of Charge Transfer upon Anion Intercalation in Graphite Cathodes through New Electronic States: An Experimental and Theoretical Study of Hexafluorophosphate

Graphite intercalation compounds continue to be central to technologies for electrochemical energy storage from anodes in established Li-ion batteries to cathodes in beyond Li-ion concepts paired with multivalent anodes. When used as a cathode, graphite intercalates a variety of anions with PF 6 - being among the most common. Paired with Li intercalation at the anode, the corresponding dual carbon battery yields high energy and power densities. Given the available choice of anions as intercalants, it is important to elucidate how the graphite structure accommodates them in order to tailor the molecular species to maximize charge and reversibility. However, the changes in electronic structure of the host graphite lattice upon anion intercalation are poorly understood compared to cations, which represent a fundamentally different reaction. Herein, PF 6 -intercalated graphite has been studied using techniques sensitive to electronic structure, namely, X-ray Raman spectroscopy (XRS), X-ray absorption near-edge spectroscopy (XANES), and X-ray emission spectroscopy (XES). Complementary full-potential, all-electron density functional theory calculations yielded excellent agreement with the spectra, thus providing insight into charge compensation in the graphite lattice. In particular, a pre-$π^*$ feature emerged in XRS/XANES, which is direct evidence of the removal of charge from the host lattice to compensate the intercalated anions, leading to an overall lowering of the Fermi energy level. This is expected to be characteristic of many intercalants in anion-intercalated graphite. The unambiguous identification of the origin of the pre-$π^*$ spectral feature, which is frequently seen in graphitic systems, is of broad interest to the spectroscopy of graphitic systems beyond the practical implications of anion-induced changes in the electronic properties for real devices.

36 MATERIALS SCIENCE↗

Magnetostriction and magnetoelastic quantum oscillations in P-type lead telluride

A detailed experimental and theoretical study of quantum oscillations in the magnetostriction and Young's modulus of p-PbTe is presented. The valance band of PbTe is approximated by a spheroidal, nonparabolic model in which the effects of strain on the valance band parameters are described by a deformation potential model. Using appropriate thermodynamic derivatives of the modified Lifshitz-Kosevich expression for the oscillatory parts of the electronic free energy, it is shown that both types of oscillations arise mainly from relative shifts of the valance band maxima due to shear strains, accompanied by intervalley charge transfer. Band parameters derived from the periods, phases, and spin splitting of the oscillations are in generally good agreement with values reported by other workers. A detailed comparison is made of the experimentally observed oscillation amplitudes with those predicted by theory, and satisfactory agreement is found. The ratio of the amplitudes of the two effects yields a value of the valance band deformation potential in good agreement with a value found from piezoresistance experiments by Burke.

Thompson, T. E.↗

Crop status evaluations and yield predictions

One phase of the large area crop inventory project is presented. Wheat yield models based on the input of environmental variables potentially obtainable through the use of space remote sensing were developed and demonstrated. By the use of a unique method for visually qualifying daily plant development and subsequent multifactor computer analyses, it was possible to develop practical models for predicting crop development and yield. Development of wheat yield prediction models was based on the discovery that morphological changes in plants are detected and quantified on a daily basis, and that this change during a portion of the season was proportional to yield.

Haun, J. R.↗

Comparative Study of Wind Energy Potential Estimation Methods for Wind Sites in Togo and Benin (West Sub-Saharan Africa)

The characterization of wind speed distribution and the optimal assessment of wind energy potential are critical factors in selecting a suitable site for wind power plants (WPP). The Weibull distribution law has been used extensively to analyze the wind characteristics of candidate WPP sites, and to estimate the available and deliverable energy. This paper presents a comparative study of five wind energy resource assessment methods as they applied to the context of wind sites in West Sub-Saharan Africa. We investigated three numerical approaches, namely, the adaptive neuro-fuzzy inference system (ANFIS), the multilayer perceptron method (MLP), and support vector regression (SVR), to derive the distribution law of wind speeds and to optimally quantify the corresponding wind energy potential. Next, we compared these three approaches to two well-known Weibull distribution law-based methods: the empirical method of Justus (EMJ) and the maximum likelihood method (MLM). Case study results indicated that the neural network-based methods, ANFIS and MLP, yielded the most accurate distribution fits and wind energy potential estimates, and consequently, are the most recommended methods for the wind sites in Togo and Benin. The orders of magnitude of the root mean squared error (RMSE) in estimating the recoverable energy using ANFIS were, respectively, 10-4 and 10-5 for Lomé and Cotonou, while MLP achieved an RMSE order of magnitude of 10-3 for both sites.

17 WIND ENERGY↗

Modeling Si/SiGe quantum dot variability induced by interface disorder reconstructed from multiperspective microscopy

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. By convolving data from scanning tunneling microscopy and high-angle annular dark field scanning transmission electron microscopy, we reconstruct 3D interfacial atomic structure and employ an atomistic multi-valley effective mass theory to quantify qubit spectral variability. The results indicate (1) appreciable valley splitting (VS) variability of ~50% owing to alloy disorder and (2) roughness-induced double-dot detuning bias energy variability of order 1–10 meV depending on well thickness. For measured intermixing, atomic steps have negligible influence on VS, and uncorrelated roughness causes spatially fluctuating energy biases in double-dot detunings potentially incorrectly attributed to charge disorder. Our approach yields atomic structure spanning orders of magnitude larger areas than post-growth microscopy or tomography alone, enabling more holistic predictions of disorder-induced qubit variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Science Yield Estimates and Sensitivities With the AstroPIC Integrated Photonic Coronagraph for the Habitable Worlds Observatory

The Habitable Worlds Observatory (HWO) flagship has a goal to survey ~100 of the nearest stellar systems and their habitable zones in order to detector and spectroscopically characterize ~25 potentially “Earth-like planets” (or “Exoearths”). The HWO telescope will feature a >6-m diameter aperture and a coronagraph that will suppress starlight by ten orders of magnitude to enable the detection and characterization of Earth analogues in the habitable zone. Three Exploratory Analytic Cases (EACs) are currently considering different aperture configurations for HWO including on-axis and off-axis apertures and both different hexagonal and keystone segmentation configurations. Photonic Integrated Circuits (PICs) offer a path to miniaturize traditional, bulk optics coronagraph functionality reducing risk margins and increasing mission science exoearth yields for the HWO mission. We have developed a simulation pipeline that enables evaluation of the AstroPIC photonic integrated coronagraph through to estimates mission yields. We present sensitivities to aberrations for different types of segmentation and low-order aberrations for HWO EACs demonstrating that AstroPIC is suitable for both on-axis and off-axis configurations. We perform a parametric sweep of the exoearth science yield sensitivities in terms of key coronagraph parameters including coronagraphic end-to-end throughput, inner working angle, robustness to aberrations, and bandwidth. We consider both a hybrid and a pure photonic architecture; a pure integrated photonic architecture provides the greatest potential in science yield improvements, although a hybrid PIC limited in its numbers of modes can provide complementary science to a traditional, bulk-optic coronagraph and increasing the estimated science yield when operated jointly.

Photonics↗

Three-dimensional numerical simulation of current collection by a probe in a magnetized plasma

A three-dimensional numerical model for current collection in a magnetized plasma is reported. The model is based on an electrostatic particle-in-cell code. The model yields self-consistent sheath structure including distributions of plasma and the electric potential around the body and the collection of electrons. The analytical theory of current collection by a body in a magnetized plasma yields an upper bound for the collected current determined by the conservation of energy and canonical angular momentum. The theory shows that the collected charged particles come from a cylindrical volume aligned with the magnetic shadow of the body; the maximum radius r(sub o) of this volume is determined by the body size, body potential, and the ambient magnetic field. This theory does not deal with the sheath structure around the body. The condition for the actual current to approach the upper-bound value has been a matter of debate. Our simulations reveal when and why the collected current becomes equal to its upper-bound value. Sheath size in the radial direction perpendicular to the axial ambient magnetic field is determined by the current-limiting radius r(sub o). Our simulation yields time-average current in good agreement with its upper bound. This feature of the current collection is explained as follows: Once electrons enter the sheath, some of them are freely accelerated perpendicular to the magnetic field because they are demagnetized by the large gradients in the perpendicular electric fields. Simulations show a large perpendicular acceleration, producing perpendicular energy as large as that determined by the potential on the body, especially in the region where perpendicular electric fields (E perpendicular) are the strongest. An analysis shows that the demagnetization of electrons occurs above a threshold potential on the body. This threshold condition follows from the breakdown of the adiabaticity of the electron dynamics inside the sheath.

Singh, Nagendra↗

Rewiring cell-free metabolic flux in E. coli lysates using a block—push—pull approach

Abstract Cell-free systems can expedite the design and implementation of biomanufacturing processes by bypassing troublesome requirements associated with the use of live cells. In particular, the lack of survival objectives and the open nature of cell-free reactions afford engineering approaches that allow purposeful direction of metabolic flux. The use of lysate-based systems to produce desired small molecules can result in competitive titers and productivities when compared to their cell-based counterparts. However, pathway crosstalk within endogenous lysate metabolism can compromise conversion yields by diverting carbon flow away from desired products. Here, the ‘block—push—pull’ concept of conventional cell-based metabolic engineering was adapted to develop a cell-free approach that efficiently directs carbon flow in lysates from glucose and toward endogenous ethanol synthesis. The approach is readily adaptable, is relatively rapid and allows for the manipulation of central metabolism in cell extracts. In implementing this approach, a block strategy is first optimized, enabling selective enzyme removal from the lysate to the point of eliminating by-product-forming activity while channeling flux through the target pathway. This is complemented with cell-free metabolic engineering methods that manipulate the lysate proteome and reaction environment to push through bottlenecks and pull flux toward ethanol. The approach incorporating these block, push and pull strategies maximized the glucose-to-ethanol conversion in an Escherichia coli lysate that initially had low ethanologenic potential. A 10-fold improvement in the percent yield is demonstrated. To our knowledge, this is the first report of successfully rewiring lysate carbon flux without source strain optimization and completely transforming the consumed input substrate to a desired output product in a lysate-based, cell-free system.

59 BASIC BIOLOGICAL SCIENCES↗

Standard Evaluation of exoplanet Yield for the LUVOIR and HabEx Concept Studies

The HabEx and LUVOIR mission concepts aim to directly image and spectrally characterize potentially habitable exoplanets. We use EXOSIMS to simulate design reference missions with observation scheduling to determine yield of exoplanets detected, spectrally characterized, and orbits determined. EXOSIMS performs dynamically responsive scheduling with realistic mission observing constraints on Monte Carlo universes of synthetic planets around known nearby stars. We use identical astrophysical inputs and the individual observing scenarios of each concept to evaluate a common comparison of the detection and spectral characterization yields of HabEx and LUVOIR. HabEx is evaluated for the 4m hybrid starshade and coronagraph architecture, the 4m coronagraph only architecture, and the 4 m starshade only architecture. LUVOIR is evaluated for the 8 m architecture of their final report. Yield analysis shows that both concepts can directly image and spectrally characterize earth-like planets in the habitable zone and that each concept has complementary strengths.

Keithly, Dean↗

Advanced Air Bag Technology Assessment

As a result of the concern for the growing number of air-bag-induced injuries and fatalities, the administrators of the National Highway Traffic Safety Administration (NHTSA) and the National Aeronautics and Space Administration (NASA) agreed to a cooperative effort that "leverages NHTSA's expertise in motor vehicle safety restraint systems and biomechanics with NASAs position as one of the leaders in advanced technology development... to enable the state of air bag safety technology to advance at a faster pace..." They signed a NASA/NHTSA memorandum of understanding for NASA to "evaluate air bag to assess advanced air bag performance, establish the technological potential for improved technology (smart) air bag systems, and identify key expertise and technology within the agency (i.e., NASA) that can potentially contribute significantly to the improved effectiveness of air bags." NASA is committed to contributing to NHTSAs effort to: (1) understand and define critical parameters affecting air bag performance; (2) systematically assess air bag technology state of the art and its future potential; and (3) identify new concepts for air bag systems. The Jet Propulsion Laboratory (JPL) was selected by NASA to respond to the memorandum of understanding by conducting an advanced air bag technology assessment. JPL analyzed the nature of the need for occupant restraint, how air bags operate alone and with safety belts to provide restraint, and the potential hazards introduced by the technology. This analysis yielded a set of critical parameters for restraint systems. The researchers examined data on the performance of current air bag technology, and searched for and assessed how new technologies could reduce the hazards introduced by air bags while providing the restraint protection that is their primary purpose. The critical parameters which were derived are: (1) the crash severity; (2) the use of seat belts; (3) the physical characteristics of the occupants; (4) the proximity of the occupants to the airbag module; (5) the deployment time, which includes the time to sense the need for deployment, the inflator response parameters, the air bag response, and the reliability of the air bag. The requirements for an advanced air bag technology is discussed. These requirements includes that the system use information related to: (1) the crash severity; (2) the status of belt usage; (3) the occupant category; and (4) the proximity to the air bag to adjust air bag deployment. The parameters for the response of the air bag are: (1) deployment time; (2) inflator parameters; and (3) air bag response and reliability. The state of occupant protection advanced technology is reviewed. This review includes: the current safety restraint systems, and advanced technology characteristics. These characteristics are summarized in a table, which has information regarding the technology item, the potential, and an date of expected utilization. The use of technology and expertise at NASA centers is discussed. NASA expertise relating to sensors, computing, simulation, propellants, propulsion, inflatable systems, systems analysis and engineering is considered most useful. Specific NASA technology developments, which were included in the study are: (1) a capacitive detector; (2) stereoscopic vision system; (3) improved crash sensors; (4) the use of the acoustic signature of the crash to determine crash severity; and (5) the use of radar antenna for pre-crash sensing. Information relating to injury risk assessment is included, as is a summary of the areas of the technology which requires further development.

Phen, R. L.↗

Automatic Control of Arc Process for Making Carbon Nanotubes

An automatic-control system has been devised for a process in which carbon nanotubes are produced in an arc between a catalyst-filled carbon anode and a graphite cathode. The control system includes a motor-driven screw that adjusts the distance between the electrodes. The system also includes a bridge circuit that puts out a voltage proportional to the difference between (1) the actual value of potential drop across the arc and (2) a reference value between 38 and 40 V (corresponding to a current of about 100 A) at which the yield of carbon nanotubes is maximized. Utilizing the fact that the potential drop across the arc increases with the interelectrode gap, the output of the bridge circuit is fed to a motor-control circuit that causes the motor to move the anode toward or away from the cathode if the actual potential drop is more or less, respectively, than the reference potential. Thus, the system regulates the interelectrode gap to maintain the optimum potential drop. The system also includes circuitry that records the potential drop across the arc and the relative position of the anode holder as function of time.

Scott, Carl D.↗

Analysis of Potential Target Materials for the Mu2e Production Target

The need for high intensity secondary beams in particular muon beams is becoming increasingly evident, necessitating innovation in target design. Ideal muon production targets are temperature stable while producing high muon yields. We have identified radiation length and nuclear interaction length as proxies for these parameters, with longer radiation length decreasing energy deposition in the target and shorter nuclear interaction length increasing muon yield. In this poster, we summarize some of our analysis of potential target materials in relation to these factors.

43 PARTICLE ACCELERATORS↗

Phase-based velocity extraction method for photonic Doppler velocimetry with potential higher time resolution

We present an extension of the [Takeda et al., J. Opt. Soc. Am. 72, 156 (1982)] phase extraction method to heterodyne photonic Doppler velocimetry applications. The method yields results equivalent to those obtained by the short-time Fourier transform (STFT), while offering potential improvements in time resolution. Unlike STFT, which relies on window functions, such as the Hamming window, that emphasize central data points and diminish the influence of edges, the extended Takeda method utilizes all data uniformly. This uniform treatment allows for the derivation of empirical equations that directly relate velocity error to the actual time resolution rather than to the local analysis duration. The established equation provides a useful metric for both optimizing hardware configuration and guiding data analysis. Simulation and experimental results confirm that, for a given dataset, specifying a target time resolution yields consistent velocity errors for both methods. These findings underscore the Takeda method’s advantages, particularly its potential higher time resolution and reduced computational burden, making it a valuable tool for high-throughput applications such as laser dynamic compression experiments.

Computer simulation↗