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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Coconut oil derived five‐component synthetic oviposition deterrent for oriental fruit fly, Bactrocera dorsalis

Abstract BACKGROUND Bactrocera dorsalis, oriental fruit fly (OFF), is one of the most destructive agricultural pests. Although bait sprays can effectively control OFF,resistance development has been a concern. We evaluated the oviposition deterrent activity of coconut free fatty acids (CFFA), a mixture of eight coconut oil‐derived fatty acids known to repel hematophagous insects and deter their feeding and oviposition, against OFF females. RESULTS In laboratory 72‐h two‐choice assays using guava‐juice infused‐agar as an oviposition substrate, CFFA deterred OFF oviposition in a dose‐dependent manner with the greatest reduction of 87% at 20 mg dose compared to the control. When the eight CFFA components were tested individually, four compounds (caprylic, capric, oleic, and linoleic acids) significantly reduced OFF oviposition (‘negative‐compounds’), two (lauric and myristic acids) had no effect (‘neutral‐compounds’), and two (palmitic and stearic acids) stimulated OFF oviposition (‘positive‐compounds’). In two‐choice tests, the ‘negative‐compounds’ blend failed to elicit the same level of oviposition reduction as CFFA at equivalent concentrations found in CFFA. Adding the two ‘neutral‐compounds’ recovered the oviposition deterrence similar to CFFA. Subsequent subtraction tests showed that four ‘negative‐compounds’ plus lauric acid was as effective as CFFA in reducing OFF oviposition in guava‐juice agar. This five‐component key‐deterrent blend also reduced OFF oviposition by 95 and 72% on papaya and tomato fruit, respectively. CONCLUSION CFFA acts as an oviposition deterrent for OFF. Given that CFFA compounds are generally regarded as safe for humans and the environment, CFFA and its bioactive components have potential use in behavioral control strategies against OFF. © 2023 Society of Chemical Industry. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.

Agriculture↗
DOE OSTI2022

Local conformations and heterogeneities in structures and dynamics of isotactic polypropylene adsorbed onto carbon fiber

Carbon fiber (CF) reinforced polymers (CFRPs) have experienced widespread use in various industries. One of the most important parameters that controls the macroscopic property of CFRPs is the interface between a polymer matrix and CF. There is growing evidence to suggest the formation of a bound polymer layer (BPL), i.e., polymer chains that physically adsorb on a filler surface. However, this interface is always in contact with the thicker part of a polymer matrix, rendering its understanding a difficult task. Therein, we use CF-reinforced isotactic polypropylene (iPP) as a rational CFRP. To characterize the BPL on the CF surface, we extracted it from the CFRP using solvent-rinsing with p-xylene. The physical and thermal properties of the BPL were characterized by differential scanning calorimetry and thermogravimetric analysis, while its microscopic structures and dynamics were probed by small-angle neutron scattering and quasi-elastic neutron scattering (QENS) techniques. Subsequently, we employed atomistic molecular dynamics (MD) simulations to complement the QENS results above the bulk melting temperature and reveal details that were experimentally inaccessible. In this work, we observed that the degree of crystallinity of the BPL was quite lower than the bulk, while the melting temperature of the BPL remained the same as the bulks. Within the given length and time scales probed by QENS and MD, we also observed that most of the bound chains were mobile, with the formation of a high-density region (less than 1 nm in thickness) near the CF surface. The segmental dynamics of the bound chains probed by both QENS and MD were also much faster than those of the free chains, possibly due to the presence of a free surface region at the topmost surface of the BPL. Furthermore, the MD results demonstrated that the backbone chains and side groups lie nearly flat on the CF surface, which is the driving force for the flattening process of the iPP BPL to overcome the conformational entropy loss in the total free energy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Direct Observation of 2DEG States in Shallow Si:Sb δ-Layers

We investigate the electronic structure of high-density layers of Sb dopants in a silicon host, so-called Si:Sb δ-layers. We show that, in spite of the known challenges in producing highly confined Sb δ-layers, sufficient confinement is created such that the lowest conduction band states (Γ states, studied in depth in other silicon δ-layers), become occupied and can be observed using angle-resolved photoemission spectroscopy. The electronic structure of the Si:Sb δ-layers closely resembles that of Si:P systems, where the observed conduction band is near-parabolic and slightly anisotropic in the k ∥ plane. The observed Γ state extends ∼1 nm in the out-of-plane direction, which is slightly wider than the 1/3 monolayer thick dopant distribution. This is caused by a small segregation of the dopant layer, which is nevertheless minimal when comparing with earlier published attempts. Our results serve to demonstrate that Sb is still a feasible dopant alternative for use in the semiconductor δ-layer platform, providing similar electronic functionality to Si:P systems. Additionally, it has the advantages of being less expensive, more controllable, safer to handle, and more compatible with industrial patterning techniques. Si:Sb is therefore a viable platform for emerging quantum device applications.

Deposition↗
DOE OSTI2025

Unraveling Anion-Specific Inhibition and Structural Modulation of Gibbsite Crystallization: Implications for Aluminum Mobility in Natural and Engineered Systems

Gibbsite (α-Al(OH) 3 , sometimes designated as γ-Al(OH) 3 ) plays a crucial role in the chemistry of aluminum in the environment and industry, yet its crystallization behavior under multianionic conditions is not well understood. Here, in this study, we investigate how six common anions─fluoride (F – ), chloride (Cl – ), bromide (Br – ), nitrate (NO 3 – ), sulfate (SO 4 2– ), and phosphate (PO 4 3– )─influence the mineralization, structure, and morphology of gibbsite at room temperature. The results show that PO 4 3– , SO 4 2– , and F – strongly inhibit gibbsite formation, stabilizing amorphous or alternative crystalline phases such as nordstrandite and cryolite. On the contrary, Cl – , Br – , and NO 3 – allow partial to complete crystallization of gibbsite without significant morphological changes. Solid-state 27 Al magic angle spinning nuclear magnetic resonance provides crucial insight into aluminum coordination environments in both crystalline and amorphous phases, distinguishing between octahedral, pentahedral, and tetrahedral Al species. The density functional theory calculations reveal a direct correlation between the Al–X bond strength and the inhibition of crystallization, following the order: PO 4 3– > SO 4 2– > F – > NO 3 – > Cl – > Br – . These findings offer molecular-scale insights into anion-specific effects on aluminum hydroxide nucleation and transformation, improving the understanding of gibbsite formation and aluminum cycling in soils, phosphate retention, contaminant immobilization, and waste treatment strategies in nuclear and industrial settings. These insights can also guide the controlled synthesis of aluminum hydroxide materials with tailored crystallinity and morphology via liquid-assisted methods.

Anions effect↗
DOE OSTI2020

Nanoscale Spatial Distribution of Supported Nanoparticles Controls Activity and Stability in Powder Catalysts for CO Oxidation and Photocatalytic H 2 Evolution

Here we discuss, supported metal nanoparticles are essential components of high-performing catalysts, and their structures are intensely researched. In comparison, nanoparticle spatial distribution in powder catalysts is conventionally not quantified, and the influence of this collective property on catalyst performance remains poorly investigated. Here, we demonstrate a general colloidal self-assembly method to control uniformity of nanoparticle spatial distribution on common industrial powder supports. We quantify distributions on the nanoscale using image statistics and show that the type of nanospatial distribution determines not only the stability, but also the activity of heterogeneous catalysts. Widely investigated systems (Au–TiO 2 for CO oxidation thermocatalysis and Pd–TiO 2 for H 2 evolution photocatalysis) were used to showcase the universal importance of nanoparticle spatial organization. Spatially and temporally resolved microkinetic modeling revealed that nonuniformly distributed Au nanoparticles suffer from local depletion of surface oxygen, and therefore lower CO oxidation activity, as compared to uniformly distributed nanoparticles. Nanoparticle spatial distribution also determines the stability of Pd–TiO 2 photocatalysts, because nonuniformly distributed nanoparticles sinter while uniformly distributed nanoparticles do not. This work introduces new tools to evaluate and understand catalyst collective (ensemble) properties in powder catalysts, which thereby pave the way to more active and stable heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A scalable, biopolymer-based microenvironment for electrochemical CO 2 conversion to multicarbon products with current densities over 2 A cm −2

The electrochemical CO 2 reduction reaction (CO 2 RR) relies heavily on the surrounding microenvironment to promote formation of desirable multicarbon (C 2+ ) products. However, microenvironment control to achieve high C 2+ yields at industrially relevant current densities remains a crucial challenge. We report that chitosan, cellulose and chitin biopolymer coatings on CO 2 RR electrocatalysts enhance the microenvironment by increasing local CO 2 /CO concentration, reducing local water activity and providing suitable ion conductivity and local pH. This facile approach achieves C 2+ Faradaic efficiencies of 90 ± 1.7% at 1.6 A cm −2 and C 2+ Faradaic efficiency = 83 ± 3.2% at 2.2 A cm −2 with a formation rate of 5,926 μmol h −1 cm −2 . Importantly, within the cathode, these ion-conductive hydrophilic biopolymers can fully substitute traditional hydrophobic ionomers/binders, such as Nafion, challenging previous assumptions about the non-viability of hydrophilic materials for selective CO 2 RR due to excess interfacial H 2 O. These findings unveil key insights into microenvironment design to enhance C–C coupling through a simple method.

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

Kinetic modelling of an environmentally friendly carbamazepine synthesis via urea and iminostilbene in batch and continuous processes

Accurate kinetic models for reaction systems allow for improved process understanding and greater quality control, which is particularly beneficial as the pharmaceutical industry shifts from batch to continuous manufacturing (CM). In this work, a first principles kinetic model has been developed for the synthesis of carbamazepine (CBZ) from iminostilbene and urea, starting in a batch reactor and subsequently in a continuous flow reactor. An eco-friendly reaction pathway using urea was selected to avoid the toxic reagents that are typically used for synthesis of CBZ. The kinetic parameters determined from batch reactions were utilized in a MATLAB based kinetic model to simulate the yield for the continuous process. Overall, good agreement between the model prediction and corresponding experimental values was observed for the batch and continuous reaction systems within the full factorial design space. However, the model slightly overpredicted the yield of the continuous reaction system for higher conversion values (>60%) since it did not account for the reverse reaction that can occur at the studied reaction conditions. Here, the use of broken order kinetics was compared with whole number orders, and it was determined that the whole number orders resulted in better agreement at all conversion values for the continuous system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Cellulose nanofibrils and nanocrystals in confined flow: Single-particle dynamics to collective alignment revealed through scanning small-angle x-ray scattering and numerical simulations

Nanostructured materials made through flow-assisted assembly of proteinaceous or polymeric nanosized fibrillar building blocks are promising contenders for a family of high-performance biocompatible materials in a wide variety of applications. Optimization of these processes relies on improving our knowledge of the physical mechanisms from nano- to macroscale and especially understanding the alignment of elongated nanoparticles in flows. Here, we study the full projected orientation distributions of cellulose nanocrystals (CNCs) and nanofibrils (CNFs) in confined flow using scanning microbeam SAXS. For CNCs, we further compare with a simulated system of dilute Brownian ellipsoids, which agrees well at dilute concentrations. However, increasing CNC concentration to a semidilute regime results in locally arranged domains called tactoids, which aid in aligning the CNC at low shear rates, but limit alignment at higher rates. Similarly, shear alignment of CNF at semidilute conditions is also limited owing to probable bundle or flock formation of the highly entangled nanofibrils. Finally, this work provides a quantitative comparison of full projected orientation distributions of elongated nanoparticles in confined flow and provides an important stepping stone towards predicting and controlling processes to create nanostructured materials on an industrial scale.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Securing Smart Manufacturing: Detection of Cyber-Physical Attacks in CNC-Based Systems

As Industry 4.0 advances, the integration of computer numerical control (CNC) machines and advanced manufacturing technologies is transforming production into smart manufacturing systems that blend physical and digital processes as cyber-physical systems. However, this increased cyber-physical connectivity exposes manufacturing systems to cyber threats that can cause severe operational and financial disruptions. This paper presents a comparative study on cyber attacks and anomaly detection techniques in manufacturing, focusing on network traffic from CNC machines. The data extracted from network packets includes machine commands and control signals exchanged between the machine's interface and control system, crucial for maintaining operational integrity. We explore two types of cyber attacks, design modification and command injection, which pose substantial risks to CNC machine productivity and system integrity. Our investigation involves experiments on a real CNC system, highlighting the urgent need for effective detection mechanisms. To address these threats, we evaluate three anomaly detection methods: dynamic time warping (DTW), rolling average, and a deep learning, long short-term memory (LSTM) time-series-based autoencoder. Each is assessed for its effectiveness in identifying anomalous behaviors caused by the attacks. Our findings demonstrate the unique strengths and limitations of each detection technique, providing a deeper understanding of their applicability in realworld manufacturing environments. The comparative analysis indicates that while certain methods are highly effective against specific attack types, others offer broader applicability across different attacks. This study contributes to the accurate detection of anomalies in CNC machining processes, thereby enhancing the reliability and security of smart manufacturing systems against diverse cyber threats.

Williams, Bethanie [Tennessee Technological Univer↗
DOE OSTI2022

Polymeric multimaterials by photochemical patterning of crystallinity

An organized combination of stiff and elastic domains within a single material can synergistically tailor bulk mechanical properties. However, synthetic methods to achieve such sophisticated architectures remain elusive. We report a rapid, facile, and environmentally benign method to pattern strong and stiff semicrystalline phases within soft and elastic matrices using stereo-controlled ring-opening metathesis polymerization of an industrial monomer, cis -cyclooctene. Dual polymerization catalysis dictates polyolefin backbone chemistry, which enables patterning of compositionally uniform materials with seamless stiff and elastic interfaces. Visible light–induced activation of a metathesis catalyst results in the formation of semicrystalline trans polyoctenamer rubber, outcompeting the formation of cis polyoctenamer rubber, which occurs at room temperature. This bottom-up approach provides a method for manufacturing polymeric materials with promising applications in soft optoelectronics and robotics.

Science & Technology - Other Topics↗
DOE OSTI2021

Deletion of the A137R Gene from the Pandemic Strain of African Swine Fever Virus Attenuates the Strain and Offers Protection against the Virulent Pandemic Virus

African swine fever virus (ASFV) is causing a devastating pandemic in domestic and wild swine within an extended geographical area from Central Europe to East Asia, resulting in economic losses for the regional swine industry. There are no commercial vaccines; therefore, disease control relies on identification and culling of infected animals. We report here that the deletion of the ASFV gene A137R from the highly virulent ASFV-Georgia2010 (ASFV-G) isolate induces a significant attenuation of virus virulence in swine. A recombinant virus lacking the A137R gene, ASFV-G-DA137R, was developed to assess the role of this gene in ASFV virulence in domestic swine. Animals inoculated intramuscularly with 102 50% hemadsorption doses (HAD50) of ASFV-G-DA137R remained clinically healthy during the 28-day observational period. All animals inoculated with ASFV-G-DA137R had medium to high viremia titers and developed a strong virus-specific antibody response. Importantly, all ASFV-G-DA137Rinoculated animals were protected when challenged with the virulent parental strain ASFV-G. No evidence of replication of challenge virus was observed in the ASFV-GDA137R-inoculated animals. Therefore, ASFV-G-DA137R is a novel potential live attenuated vaccine candidate and one of the few experimental vaccine strains reported to induce protection against the highly virulent ASFV Georgia virus that is the cause of the current Eurasian pandemic.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

pbd-industrial-limit-of-performance (PBD limit of performance) v1.0.0

Software repository that contains models used for a paper about Platform-Based Design with limit of performance analysis for an industrial pilot study. This repository contains process and control models in Modelica and IDAES and scripts to develop an ML based controller that computes the control function that maximizes the techno-economic performance of cost and energy computed by the model. This software is meant to be released to reproduce the work described in a Journal publication that is now drafted with the working title "Energy System Limit of Performance Analysis using an Online Machine Learning Multi-Resolution Optimization Framework".

Amusat, Oluwamayowa [Lawrence Berkeley National La↗
DOE OSTI2020

Data from A Mass Spectrometry-Based High-Throughput Screening Method for Engineering Fatty Acid Synthases with Improved Production of Medium Chain Fatty Acids

Microbial cell factories have been extensively engineered to produce free fatty acids (FFAs) as key components of crucial nutrients, soaps, industrial chemicals, and fuels. However, our ability to control the composition of microbially synthesized FFAs is still limited, particularly, for producing medium‐chain fatty acids (MCFAs). This is mainly due to the lack of high‐throughput approaches for FFA analysis to engineer enzymes with desirable product specificity. Here we report a mass spectrometry (MS)‐based method for rapid profiling of MCFAs in Saccharomyces cerevisiae by using membrane lipids as a proxy. In particular, matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐ToF) MS was used to detect shorter acyl chain phosphatidylcholines from membrane lipids and a higher m/z peak ratio at 730 and 758 was used as an indication for improved MCFA production. This colony‐based method can be performed at a rate of ~2 s per sample, representing a substantial improvement over gas chromatography‐MS (typically >30 min per sample) as the gold standard method for FFA detection. To demonstrate the power of this method, we performed site‐saturation mutagenesis of the yeast fatty acid synthase and identified nine missense mutations that resulted in improved MCFA production relative to the wild‐type strain. Colony‐based MALDI‐ToF MS screening provides an effective approach for engineering microbial fatty acid compositions in a high‐throughput manner.

Conversion↗
DOE OSTI2020

Operation, Manufacturing, and Supply Chain of Lithium-ion Batteries for Electric Vehicles

The US Department of Energy (DOE) has a rich history of funding key innovations in batteries through multiple programs, including the Energy Efficiency and Renewable Energy programs sponsored by the Vehicle Technologies Office and Advanced Manufacturing Office. These DOE-sponsored innovations have been critical in lowering the cost of lithium-ion batteries to less than $160/kWh and increasing their energy density to more than 250 Wh/kg, enhancing the nation’s electrification system and achieving higher degrees of decarbonization. These investments continue to be crucial for positioning the United States as the hub for the most cumulative battery R&D programs worldwide. However, major breakthroughs in battery manufacturing are still needed to enable an electrified future evolving to predominantly incorporate rechargeable lithium-ion batteries. This will require a strong battery manufacturing base that will not only enable cutting-edge advancements in materials and manufacturing sciences but will also allow the United States to become a world leader in this fast-growing area. This review aims at supporting DOE’s Advanced Technology Vehicle Manufacturing Loan Program to give technology background and information that can be used to develop the basis for loan topics and evaluate battery applications. Such a program can represent a significant stride toward reinforcing the US position in advanced manufacturing by introducing artificial intelligence, machine learning, and sensing and smart controls to facilitate, expedite, and lead the battery industry by 2030.

25 ENERGY STORAGE↗
DOE OSTI2020

Computational Fluid Dynamics of Bioreactors with Micro-Aeration

Recent work has probed the potential for using Zymomonas mobilis as a flexible platform for the production of advanced fuels and intermediates. One set of recombinant organisms requires a micro-aerobic environment to promote the production of the desired product (2,3-BDO), but the economics and process-control implications of this approach are uncertain at industrial scale. Computational multi-physics models have the potential to describe the fermentation in detail at multiple scales, reducing the risk of scale-up. A two-phase Euler-Euler CFD model is used alongside a simple model of oxygen uptake to describe this bioreaction. A few reactor vessels, including airlift and CSTR bioreactors, are analyzed at multiple scales, regions of oxygen-depletion and over-oxygenation are characterized, and the bioreactors are compared. We show that it is difficult to achieve homogenous oxygen concentrations in industrial-scale CSTR reactors and that advanced bioreactor designs are needed for economical operation.

09 BIOMASS FUELS↗
DOE OSTI2020

Development and Test of High Temperature Surface Acoustic Wave Gas Sensors

The demand for sensors in hostile environments, such as power plant environments, aerospace environments, oil and gas extraction, and high-temperature metallurgy environments, has risen over the past decades in a continuous attempt to increase process control, improve energy and process efficiency in production, reduce operational and maintenance costs, increase safety, and perform condition-based maintenance in equipment and structures operating in high-temperature harsh-environment conditions. The increased reliability, improved performance, and development of new sensors and networks with a multitude of components, especially wireless networks, are the target for operation in harsh environments. Gas sensors, in particular H2 sensors, operating above 200 C are required in the instrumentation, process control and general safety of a number of industries including coal, natural gas, and nuclear power generation facilities, the aerospace and automotive industries, metallurgical production and defense-related applications. The surface acoustic wave (SAW) platform is a particularly promising option for high-temperature, harsh-environment gas sensing applications since the platform exhibits advantages, such as battery-free and wireless operation, small size, possibility for scale production using well-developed technologies from the semiconductor industry, and low cost of installation and operation. In this work, one-port SAW resonators (SAWRs) operating along five different orientations on a commercially available langasite (LGS) wafer employing Pt-Al2O3 electrodes and reflectors were designed, fabricated, and used as high-temperature H2 sensors. Two of the selected orientations were predicted and confirmed to have temperature-compensated operation above 150 C. A gas sensor test setup was developed, capable of gas cycling between N2, O2 and N2/H2 mixtures under extended high-temperature periods (up to 650 C for over 20 hours). Thin film Pt-Al2O3 was used as the electrode material for the transducers and reflectors capable of high-temperature operation, and also as H2 sensing film. In addition, yttria-stabilized zirconia (YSZ) thin films with Pt decoration were tested as sensing films aimed to enhance the SAWR sensor response to H2. The SAW devices were monitored in excess of 1700 hours in real-time during gas cycling sequences up to 600 C, leading to the following findings: i) the Pt-Al2O3 electrodes performed better for H2 sensing than the Pt-decorated YSZ sensing film, showing as much as 50% higher frequency variation response in the 200 C to 400 C range; ii) different crystallographic orientations operating on the same LGS wafer experienced different responses to H2 exposures up to 500 C; iii) the surface oxidation state of the SAWR sensors was shown to have an important impact on subsequent H2 exposure responses. In addition, a sensor system employing two LGS SAWRs, aligned along two different orientations, has been developed to simultaneously determine H2 presence and temperature. Finally, wireless interrogation of a SAWR sensor was successful within the gas cycling test fixture, and successful wireless H2 detection was achieved above 400 C.

Ayes Moncada, Armando↗