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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Optimized coplanar waveguide resonators for a superconductor–atom interface

We describe the design and characterization of superconducting coplanar waveguide cavities tailored to facilitate strong coupling between superconducting quantum circuits and single trapped Rydberg atoms. For initial superconductor–atom experiments at 4.2 K, we show that resonator quality factors above 10{sup 4} can be readily achieved. Furthermore, we demonstrate that the incorporation of thick-film copper electrodes at a voltage antinode of the resonator provides a route to enhance the zero-point electric fields of the resonator in a trapping region that is 40 μm above the chip surface, thereby minimizing chip heating from scattered trap light. The combination of high resonator quality factor and strong electric dipole coupling between the resonator and the atom should make it possible to achieve the strong coupling limit of cavity quantum electrodynamics with this system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

A Cognitive-System Model for En Route Air Traffic Management

NASA Ames Research Center has been engaged in the development of advanced air traffic management technologies whose basic form is cognitive aiding systems for air traffic controller and flight deck operations. In the design and evaluation of such systems the dynamic interaction between the airborne aiding system and the ground-based aiding systems forms a critical coupling for control. The human operator is an integral control element in the system and the optimal integration of human decision and performance parameters with those of the automation aiding systems offers a significant challenge to cognitive engineering. This paper presents a study in full mission simulation and the development of a predictive computational model of human performance. We have found that this combination of methodologies provide a powerful design-aiding process. We have extended the computational model Man Machine Integrated Design and Analysis System (N13DAS) to include representation of multiple cognitive agents (both human operators and intelligent aiding systems), operating aircraft airline operations centers and air traffic control centers in the evolving airspace. The demands of this application require the representation of many intelligent agents sharing world-models, and coordinating action/intention with cooperative scheduling of goals and actions in a potentially unpredictable world of operations. The operator's activity structures have been developed to include prioritization and interruption of multiple parallel activities among multiple operators, to provide for anticipation (knowledge of the intention and action of remote operators), and to respond to failures of the system and other operators in the system in situation-specific paradigms. We have exercised this model in a multi-air traffic sector scenario with potential conflict among aircraft at and across sector boundaries. We have modeled the control situation as a multiple closed loop system. The inner and outer loop alerting structure of air traffic management has many implications that need to be investigated to assure adequate design. First, there are control and stability factors implicit in the design. As the inner loop response time approaches that of the outer loop, system stability may be compromised in that controllers may be solving a problem the nature of which has already been changed by pilot action. Second, information exchange and information presentation for both air and ground must be designed to complement as opposed to compete with each other. Third, the level of individual and shared awareness in trajectory modification and flight conformance needs to be defined. Fourth, the level of required awareness and performance impact of mixed fleet operations and failed-mode recovery must be explored.

Corker, Kevin M.↗
DOE OSTI2018

Improved electrical properties of lead-free neodymium doped Ba0.85Ca0.15Zr0.1Ti0.9O3 piezoceramics

Highlights: • Ba{sub 0.85-x}Nd{sub x}Ca{sub 0.15}Zr{sub 0.1}Ti{sub 0.9}O{sub 3}(x = 0,0.005,0.01,0.015,0.02,0.025) ceramics prepared. • Ceramic with x = 0.01 is found to be a mixed phase of cubic and tetragonal phases. • All ceramics are relaxors with diffusivity (γ) increasing with increasing x. • Dielectric, ferroelectric, piezoelectric properties are optimized at x = 0.01. • The increased properties are attributed to crystal structure and microstructure. - Abstract: Lead-free Ba{sub (0.85-x)}Nd{sub x}Ca{sub 0.15}Zr{sub 0.1}Ti{sub 0.9}O{sub 3} (x = 0.000, 0.005, 0.010, 0.015, 0.020, and 0.025 mol%) ceramics were prepared following conventional solid state reaction route. Dielectric, ferroelectric and piezoelectric properties of the ceramics sintered at 1400 °C were studied. All the samples were found to be the relaxors with diffusivity lying in the range 1.58 ≤ γ ≤ 1.77. γ increases with increasing x. The spontaneous polarization (P{sub s}) increases to the maximum value of 8.65 μC/cm{sup 2} for x = 0.010, before it decreases with further increase in x. The remnant polarization (P{sub r}), which is ∼4.2 μC/cm{sup 2} for the undoped sample, increases with x to 4.8 μC/cm{sup 2} corresponding to x = 0.010 and then decreases with increasing x. The coercive field (E{sub c}) follows the opposite trend, showing a minimum of 2.052 kV/cm at x = 0.010. The piezoelectric charge coefficient (d{sub 33}) and electromechanical coupling factor (k{sub p}) peak at the high values of 275 pC/N and 0.36 respectively for the ceramics having the optimum Nd content of x = 0.010.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Engineering Rhodosporidium toruloides for production of 3-hydroxypropionic acid from lignocellulosic hydrolysate

Microbial production of valuable bioproducts is a promising route towards green and sustainable manufacturing. The oleaginous yeast, Rhodosporidium toruloides, has emerged as an attractive host for the production of biofuels and bioproducts from lignocellulosic hydrolysates. 3-hydroxypropionic acid (3HP) is an attractive platform molecule that can be used to produce a wide range of commodity chemicals. This study focuses on establishing and optimizing the production of 3HP in R. toruloides. As R. toruloides naturally has a high metabolic flux towards malonyl-CoA, we exploited this pathway to produce 3HP. Upon finding the yeast capable of catabolizing 3HP, we then implemented functional genomics and metabolomic analysis to identify the catabolic pathways. Deletion of a putative malonate semialdehyde dehydrogenase gene encoding an oxidative 3HP pathway was found to significantly reduce 3HP degradation. We further explored monocarboxylate transporters to promote 3HP transport and identified a novel 3HP transporter in Aspergillus pseudoterreus by RNA-seq and proteomics. Combining these engineering efforts with media optimization in a fed-batch fermentation resulted in 45.4 g/L 3HP production. This represents one of the highest 3HP titers reported, and the highest titer produced from lignocellulosic hydrolysate to the best of our knowledge. This work demonstrates microbial production of 3HP in R. toruloides from lignocellulosic hydrolysate at high titers, and it represents a significant step toward enabling industrial production of 3HP in the future.

3-Hydroxypropionic acid↗
DOE OSTI2022

Plant-based engineering for production of high-valued natural products

Plants are a unique source of complex specialized metabolites, many of which play significant roles in human society. In many cases, however, the availability of these metabolites from naturally occurring sources fails to meet current demands. Thus, there is much interest in expanding the production capacity of target plant molecules. Traditionally, plant breeding, chemical synthesis, and microbial fermentation are considered the primary routes towards large scale production of natural products. Here, in this paper, we explore the advances, challenges, and future of plant engineering as a complementary path. Although plants are an integral part of our food and agricultural systems and sustain an extensive array of chemical constituents, their complex genetics and physiology have prevented the optimal exploitation of plants as a production chassis. We highlight emerging engineering tools and scientific advances developed in recent years that have improved the prospects of using plants as a sustainable and scalable production platform. We also discuss technological limitations and overall economic outlook of plant-based production of natural products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

In situ studies of a platform for metastable inorganic crystal growth and materials discovery

Rapid shifts in the energy, technological, and environmental demands of materials science call for focused and efficient expansion of the library of functional inorganic compounds. To achieve the requisite efficiency, we need a materials discovery and optimization paradigm that can rapidly reveal all possible compounds for a given reaction and composition space. Here we provide such a paradigm via in situ X-ray diffraction measurements spanning solid, liquid flux, and recrystallization processes. We identify four new ternary sulfides from reactive salt fluxes in a matter of hours, simultaneously revealing routes for ex situ synthesis and crystal growth. Changing the flux chemistry, here accomplished by increasing sulfur content, permits comparison of the allowable crystalline building blocks in each reaction space. The speed and structural information inherent to this method of in situ synthesis provide an experimental complement to computational efforts to predict new compounds and uncover routes to targeted materials by design.

Shoemaker, D. P.↗
DOE OSTI2024

High Temperature Copper Metallization: Demand, Hurdles and Reliability

As newer cells structures come online, the pressing need to replace silver in the metallization pastes has renewed interest in alternative technologies employing base metals. Copper typically leads the charge with its abundance and lower cost but has faced numerous obstacles from relatively higher oxidation and diffusion rates which can damage the lifetime of the devices. In this study, a low-cost alternative to silver metallization pastes has been shown on PERC cells. The screen printable copper paste can be fired in air at temperatures >500 degrees C, and the impact of processing conditions and equipment on the performance and reliability of 274 cm2 cells have been evaluated. Through damp heat testing of micro-modules using 16 cm2 cells, routes that can lead to both the failure and success of durable contacts have been demonstrated.

copper↗
DOE OSTI2026

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗
DOE OSTI2019

Development of a Solvent-Free Process to Prepare DNAN

Objectives: Additive-free, solvent-free chemical reactions are generally more environmentally benign than alternative processes that involve these reaction components. 2,4-Dinitroanisole (DNAN) is of interest to the military and to industry as a replacement for trinitrotoluene (TNT) in melt-cast explosives. As anisole is a widely used feedstock chemical, the development of an efficient, additive-free, solvent-free method for its dinitration could lead to adoption of a new “green” synthetic route for DNAN manufacture. Technical Approach: Our goal is the scale-up (from the previously demonstrated one gram scale to a 500 gram scale) of the additive-free, solvent-free dinitration of anisole using the equipment and facilities available at the Los Alamos National Laboratory. Results: Through a series of simple optimization process, we have been successful at scaling demonstrating the development of a solvent-free process for the synthesis of 2,4-dinitroanisole using a batch process. The overall method involves the use of a mixture of propionic anhydride and 98% nitric acid to form the reactive nitrating species, proprionyl nitrate. This nitrating reagent is then added to a highly concentrated solution mixture of anisole and proprionic anhydride slowly over time to produce the desired 2,4-dinitroanisole product. This batch process could be scaled-up to the 270g scale. Flow-reaction methods should allow for larger scale production of DNAN. Benefits: This work has addressed the SERDP SEED Statement Of Need regarding environmentally benign methods for the synthesis of DNAN. Having achieved our goal, the next step will be to partner with a commercial manufacturer of explosive materials to scale the synthesis up to production levels.

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

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2019

Scenario Complexity for Unmanned Aircraft System Traffic

This work introduces an approach to estimate the complexity of a low-altitude air traffic scenario involving multiple UASs using mathematical programming. Given a set of multi-point UAS flight trajectories, vehicle dynamics, and a conflict resolution algorithm, an abstract model is developed such that it can be solved quickly using a mathematical programming optimization software without running high-fidelity simulations that can be computationally expensive and may not suit real-time applications. In the abstract model, each vehicle is represented by a time-varied vector associated with position, speed, and heading information. The total extra distance that aircraft need to divert from their original routes to avoid collisions is computed and used to setup a quadratic programming formula. The metrics including the number of conflicts and extra distances travelled by all vehicles are then utilized to estimate the complexity of a given UAS flight scenario. Results and verification against high-fidelity simulations will be provided in the final draft.

UTM↗
NASA NTRSDate not supplied

Advances in Modeling Solar System Internet Structures and their Data Flows

With an ever-increasing presence in space, there is also an increasing burden on existing communications infrastructure. We are heading towards an inflection point where the traditional approach of scheduled, single-path communications for space will no longer be viable. One answer is Delay Tolerant Networking (DTN), which takes the once disparate system of point-to-point links and unifies them in a networked architecture, thereby making communications more scalable. However, much work remains for discovering and harnessing the underlying theory of DTN. For example, in the terrestrial setting the interplay between routing domains is well-understood, however this is not the case in DTNs. In this paper, we build up the fundamental foundations of DTN, with an emphasis on modeling time varying networks and data flows across them, with examples of cross-domain routing in a DTN. A lofty goal of DTN is to enable the so-called Solar System Internet (SSI), which implies a standardized and robust suite of protocols. These protocols include routing across disconnected networks using store, carry, and forward mechanisms, which is necessary due to the disconnections, delays, and mobility intrinsic to space networks. Due to these factors, each of which generalize traditional networking, there is a deep and rich theory of DTNs. Here we build off of past successes to broaden this theory while striving to keep actionable results a goal for future implementations and operations. The approach includes modeling the unicast, broadcast, and multicast communications using the language of hypergraphs, which capture the geometric properties of such networked communications algebraically. Also inherent to these networks is their time-varying nature, particularly given mobility, and hence we also cultivate modeling techniques that respect this time dependence. This leads us to develop models using tools from category theory and algebraic geometry, which provide a language well-suited to describing synchronization and optimization over such networks. We also introduce and study a novel generalization of curvature applicable to time-evolving networks, which provides quantitative controls on diffusion processes on the network. Because an interplanetary network would feature links with propagation delays the preclude discovery (feedback) mechanisms, they will always feature a scheduled component. However, it is beneficial to support discovery where possible. While DTNs do not yet have strong definitions for their analogues of autonomous systems or network areas, we show how to join dynamic and schedule-based routing domains, using the language of sheaves, which marks progress towards such definitions. We conclude with a discussion of the progress made, as well as suggestions for future work.

Delay Tolerant Networking↗
DOE OSTI2024

Design of AlGaN-Zn(Si,Ge)N2 quantum wells for high-efficiency ultraviolet light emitters

The effect of inserting a nm-scale layer of Zn(Si,Ge)N2 into an AlGaN quantum well structure designed for light emission in the wavelength range from 255 to 305 nm is investigated here. The enhanced confinement of the hole within the quantum well results in an enhancement of the overlap of the hole and electron wave functions, resulting in an enhancement of the radiative recombination rate. In this theoretical calculation, for emission at a 270 nm wavelength, the enhancement in the wavefunction overlap can reach a factor of 7 when compared to an AlGaN quantum well device specifically engineered for optimal emission at the identical wavelength. Increases of almost an order of magnitude in both the peak spontaneous emission intensity and the radiative recombination rate are predicted. The peak emission wavelength can be tuned from 255 to 305 nm by adjusting the width and/or the composition of the inserted layer. The proposed structures provide a route to higher efficiency ultraviolet practical light emitting diodes and lasers.

Physics↗
NASA NTRS1993

Weasel works SA-150: Design study of a 100 to 150 passenger transport aircraft

As the year 2000 rapidly approaches, the airlines are faced with an extremely competitive and environmentally restrictive marketplace. In order to survive, commercial air carriers will need to find new ways to lower their direct operating costs, increase load factors and comply with tightening federal and international constraints. The SA-150 has been designed to meet these demands by focusing on the areas of aerodynamic efficiency, an improved level of passenger comfort, and a limited application of advanced technology. The SA-150 has been optimized for a 500 nmi. mission to help the airlines meet the challenges of the short haul, quick turnaround flight. With a maximum capacity of 124 passengers, and full baggage, the SA-150 is also capable of covering a range of 1500 nmi. This additional range capability will provide the airlines with flexibility when scheduling their routes. The aircraft features a 'V' tail, fly-by-wire system and is powered by two turbofans mounted under a twelve aspect ratio wing. The SA-150 will have an initial production run of 800 units and have a purchase price of $37.7 million in 1993 dollars.

Alkema, Kevin↗
DOE OSTI2025

Pathway to tune sputter coated Nb$_3$Sn with Zr

Superconducting radio frequency (SRF) cavities are essential elements of many modern-day particle accelerators such as, European XFEL (DESY), LCLS II-HE (SLAC) and PIP II (Fermilab). Nb$_3$Sn superconducting material promises significant potential to exceed the performance of conventional niobium based SRF cavities. We aim to advance the ongoing R$&$D efforts to achieve Nb$_3$Sn coated cavities with high material quality. In this work, we have developed to achieve a route for effectively reducing the intrinsic defects in magnetron sputter coated Nb$_3$Sn SRF cavities and eventually improve the overall RF performance. We have observed that Zr is mainly being incorporated as ZrO$_2$ precipitates of average dimensions ranging from 20-100nm. By increasing the concentration of Zr, we have three major effects in the physical properties. Firstly, we noted that the density of the surface and bulk voids as well as their average dimensions are dramatically reduced on increasing the Zr content in Nb$_3$Sn. These surface voids are believed to be detrimental to cavity applications due to increase the local dissipation of electric and magnetic fields. These results indicate that inclusion of Zr in Nb$_3$Sn sputtered coating will improve the material quality and might help to reduce the overall RF power dissipation. Secondly, we observed that increasing Zr concentration from 0 to 2.4% substantially improves both superconducting transition temperature (Tc) and upper critical magnetic field (Hc2). However, on further increasing the Zr concentration to 24%, we noticed a small decrement in the Hc2 value. These results infer that the increase in Zr concentration up to an optimal concentration will be beneficial to enhance the superconducting properties. Increase in Tc promises lesser RF losses and improvement in accelerating gradient, whereas the increase in Hc2 suggests more efficient flux pinning which could give rise to high quality factors in presence of multi-Tesla magnetic field. Additionally, we also observed that increasing Zr concentration possibly prevents the oxygen diffusion and leads to thinner formation of primary surface oxide (Nb$_2$O$_5$ and SnO). This study gives a route to tune Zr fraction in Nb3Sn to modify the physical properties that control the high field performance of Nb3Sn RF cavities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

The Performance of CH3NH3PbI3 - Nanoparticles based – Perovskite Solar Cells Fabricated by Facile Powder press Technique

Highlights: • Perovskite nanoparticles (PNs) were prepared using simple solid-state technique. • Perovskite layer has been deposited by facile powder press technique - a solution cum vacuum-free. • Fabricated device structure: FTO/c-TiO{sub 2}/mp-TiO{sub 2}/Perovskite/CuI/Cr/Pt-coated FTO. • 1:3 M ratio of PbI{sub 2} in MAI resulted in achieving a PCE of 3.90%. • From the stability test, it is inferred that deterioration in ‘η’ and ‘V{sub OC}’ was by 27.87% and 29.23% respectively. - Abstract: Here, we have introduced a facile solid-state route assisted method to prepare CH{sub 3}NH{sub 3}PbI{sub 3} perovskite nanoparticles (PNs) and together with a facile - powder press technique, for the deposition of prepared PNs - a solution cum vacuum-free route. The perovskite layer was prepared using different lead iodide (PbI{sub 2}) precursor molar concentrations (0.5, 1, 1.5, 2 mmol) and the PbI{sub 2} concentration was found to have a significant impact on the structural, optical, morphological and electrical properties. The sample prepared using molar ratio PbI{sub 2}: MAI at 1:3 shows the optimal bandgap value (∼1.51 eV), broader band edge peak at 755 nm and found have good optical property for photovoltaic (PV) applications. The J–V performance of the fabricated perovskite device with FTO/c-TiO{sub 2}/mp-TiO{sub 2}/Perovskite/CuI/ Cr/Pt-coated FTO counter electrode has been studied. The device fabricated using the concentration at PbI{sub 2}:MAI 1:3 achieved a PCE of 3.9% and resulted in better long-term stability with deterioration in η and V{sub OC} by 27.87% and 29.23% after 15 days.

14 SOLAR ENERGY↗
DOE OSTI2017

Phosphoketolase overexpression increases biomass and lipid yield from methane in an obligate methanotrophic biocatalyst

Microbial conversion of methane to high-value bio-based chemicals and materials offers a path to mitigate GHG emissions and valorize this abundant-yet -underutilized carbon source. In addition to fermentation optimization strategies, rational methanotrophic bacterial strain engineering offers a means to reach industrially relevant titers, carbon yields, and productivities of target products. The phosphoketolase pathway functions in heterofermentative bacteria where carbon flux through two sugar catabolic pathways to mixed acids (lactic acid and acetic acid) increases cellular ATP production. Importantly, this pathway also serves as an alternative route to produce acetyl-CoA that bypasses the CO 2 lost through pyruvate decarboxylation in the Embden-Meyerhof-Parnas pathway. Thus, the phosphoketolase pathway can be leveraged for carbon efficient biocatalysis to acetyl-CoA-derived intermediates and products. Here, we show that the industrially promising methane biocatalyst, Methylomicrobium buryatense , encodes two phosphoketolase isoforms that are expressed in methanol- and methane-grown cells. Overexpression of the PktB isoform led to a 2-fold increase in intracellular acetyl-CoA concentration, and a 2.6-fold yield enhancement from methane to microbial biomass and lipids compared to wild-type, increasing the potential for methanotroph lipid-based fuel production. Off-gas analysis and metabolite profiling indicated that global metabolic rearrangements, including significant increases in post-translational protein acetylation and gene expression of the tetrahydromethanopterin-linked pathway, along with decreases in several excreted products, coincided with the superior biomass and lipid yield observed in the engineered strain. Further, these data suggest that phosphoketolase may play a key regulatory role in methanotrophic bacterial metabolism. As a result, given that acetyl-CoA is a key intermediate in several biosynthetic pathways, phosphoketolase overexpression offers a viable strategy to enhance the economics of an array of biological methane conversion processes.

09 BIOMASS FUELS↗
DOE OSTI2026

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗