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

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At least 307 records · Page 17

Engineering Escherichia coli for Urease-Driven Synthesis of Metal Oxide Nanomaterials

The development of functional nanomaterials with controlled morphologies is essential for advancements in medicine, electronics and computing, energy, catalysis, and environmental applications. However, conventional synthesis methods often demand high energy input and pose significant environmental challenges. Urease-based biomineralization presents an efficient, eco-friendly alternative for nanomaterial production under mild conditions. In this study, we engineered Escherichia coli ( E. coli ) to express a urease gene cluster from Sporosarcina pasteurii using CRAGE-Duet technology. The engineered strain successfully synthesized calcium carbonate and calcium phosphate crystals. Expanding the approach, we synthesized metal oxide nanoparticles, including hematite (Fe 2 O 3 ), and nanocrystalline anatase titanium dioxide (TiO 2 ). These nanomaterials were characterized by electron microscopy, demonstrating the potential of E. coli as a sustainable and versatile platform for green nanomaterial synthesis.

bacteria↗

Internship Work Report

I worked on two projects during my summer internship at Sandia. My official title was “Intern - Mission Tech Electrical Eng./Computer Eng.- R&D Undergraduate Summer.” I worked at the central location, which is Albuquerque, New Mexico. The department you are placed in at Sandia doesn’t always correspond to the people you will be working with. For example, I only directly worked with one person from my department this summer. On one of my projects, I worked with a diverse team of engineers from many different departments. On my other project, I mainly worked with two departments, as the project had two distinct parts. As mentioned earlier, I worked on two projects during my summer at Sandia. The first project focused on a lightweight embedded controller in an advanced FPGA System-on-Chip for radar signal processing applications. The term “controller” refers to a hardware device that directs the flow of data between two entities. An FPGA is a reprogrammable integrated circuit (as opposed to an integrated circuit with one purpose). An FPGA was used on this project so in order to protype various ideas for our System-on-Chip. My role on the project was to implement designs on the fabric of the FPGA and design a state machine (written in C) for the processor. My second project was also heavily involved with embedded systems but had a different application. It focused on using a Newton-Raphson control algorithm to stabilize an inverted pendulum using a novel microcontroller. The pendulum dynamics were derived, and it was successfully simulated in MATLAB. I worked on integrating the microcontroller with the inverted pendulum machinery, and converting the Newton-Raphson control algorithm from MATLAB into C. The inverted pendulum was successfully stabilized using a simple PID controller and industry-standard microcontroller. The project is still ongoing, and the team is gearing up for more tests using the novel Newton-Raphson control algorithm and novel microcontroller

42 ENGINEERING↗

Influence of Combustion Gas Temperatures on Piston Deposits for Diesel and Ammonia Dual-Fuel Combustion

As new fuels are adopted for marine engines, it is necessary to understand their impact on lubricant performance. In order to evaluate the performance of existing lubricants and inform the development of new ones, a deposit control test protocol has been developed using the ExxonMobil Enterprise two-stroke marine diesel research engine. Repeated tests at the target speed/load operating condition but different thermal conditions show that the temperature of the combustion gases is a key driver in the formation of deposits on piston surfaces, impacting both the quantity of deposits and whether they are hard or gummy. These impacts are examined for diesel combustion as well as ammonia dual-fuel combustion. Among alternative marine fuels, ammonia has perhaps the most unanswered questions regarding interactions with cylinder lubricants. The influence of ammonia dual-fuel combustion on the thermal conditions experienced by the lubricant are discussed. Scrape down oil samples were collected after operation with ammonia for analysis and comparison with fresh oil. Chemical analysis using a GC/MS instrument did not show significant permanent chemical changes in the lubricant due to ammonia exposure.

Kaul, Brian [ORNL] (ORCID:0000000184813620)↗

High-Efficiency Mixing Controlled Compression Ignition Combustion of Propane DME Blends

The program is a multi-institutional effort led by the University of Wisconsin-Madison Engine Research Center, partnered with WM International and the University of Central Florida, aiming to revolutionize combustion technology for medium-duty commercial vehicles. The project’s primary objective is to develop a high-efficiency mixing controlled compression ignition (MCCI) combustion strategy utilizing propane and propane/DME blends. This development is crucial because current propane-fueled spark-ignited (SI) engines operate at substantially lower efficiencies (BTE of 31.5%) than comparable modern diesel engines (37.1%).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Physical & Cyber Security Modeling Interfacing Through Dante and ARCADE

Physical security is increasingly facing new threats from cyber attackers, for which there is little research in the way of characterizing this threat. This report discusses the efforts to combine cyber and physical security modeling tools to investigate this novel combinatorial threat space. To accomplish this, the Dante force-on-force modeling and simulation software and the Advanced Reactor Cyber Analysis and Development Environment (ARCADE) were integrated. Dante provides a 3D environment which models the physical world, while ARCADE provides the cyber and control systems world.

42 ENGINEERING↗

Evaluating the Thermal Impacts of Inadvertent Export on Service Transformers

As more DER interconnect to the system there are times where the total generation (or load) of a DER cannot be supported by the system. To more quickly allow these DER to interconnect they may need to regulate their output to a different export capacity than their nameplate capacity via a power control system (PCS). In the time it takes PCS to respond, however, an inadvertent export may occur, where the DER operates beyond its export limit. This report evaluates the potential thermal impact such momentary violations may have on service transformers, to determine whether response times should be more tightly controlled or not.

42 ENGINEERING↗

A tunable autonomous RNA-fueled micro-engine

Autonomous molecular machines capable of converting chemical energy into mechanical motion are foundational components for synthetic nanoscale systems. Inspired by biological motors, we report the construction of a tunable, RNA-fueled DNA origami engine that drives the cyclic movement of a 500 nm-diameter particle at the microscale. The engine operates via sequential RNA–DNA hybridization and enzymatic cleavage by RNase H, enabling reversible switching between folded and unfolded conformations without external intervention. By modulating RNA and enzyme concentrations and controlling temperature, we achieve tunable switching kinetics, with transition periods as short as ~10 s. Kinetic modeling reveals that the folding pathway is governed by both productive RNA binding and the enzymatic clearance of misfolded intermediates, while unfolding is primarily controlled by RNase H activity. Since the RNA fuel binds specifically to the DNA strands, each engine is addressable simply by changing the sequences. This work demonstrates a programmable, self-resetting molecular actuator and offers a blueprint for building more complex nanomechanical systems with forces and energies comparable to molecular motors.

DNA nanomachines↗

Defect Chemistry in High‐Voltage Cathode Materials for Lithium‐Ion Batteries

High-voltage cathodes (HVCs) have emerged as a paramount role for the next-generation high-energy-density lithium-ion batteries (LIBs). However, the pursuit of HVCs comes with inherent challenges related to defective structures, which significantly impact the electrochemical performance of LIBs. The current obstacle lies in the lack of a comprehensive understanding of defects and their precise effects. This perspective aims to provide insights into defect chemistry for governing HVCs. The classifications, formation mechanisms, and evolution of defects are outlined to explore the intricate relationship between defects and electrochemical behavior. The pressing need for cutting-edge characterization techniques that comprehensively investigate defects across various temporal and spatial scales is emphasized. Building on these fundamental understandings, engineering strategies such as composition tailoring, morphology design, interface modification, and structural control to mitigate or utilize defects are thoroughly discussed for enhanced HVCs performance. Furthermore, these insights are expected to provide vital guidelines for developing high-performance HVCs for next-generation high-energy lithium-ion batteries.

cross-scale characterization↗

Engineering Anti-Microbial Peptide Production in Fungi and Bioprocess Development (CRADA 502)

Crop Protection, specifically controlling agricultural diseases and pests, is essential for crop production at every agricultural scale. Biologics hold enormous potential in this equation to decrease use of more toxic pesticides. Currently, the widespread use of biologics in crop protection is severely hampered by the lack of available tools for their mass production. To ensure biologics are regulated under EPA Biopesticide regulations, the following must be true: The biopesticide is a naturally occurring substance or structurally similar and functionally identical to a naturally occurring substance with a history of exposure to humans and the environment demonstrating minimal toxicity. Since this pertains to the marketed product it is also essential that fermentation hosts have a history of exposure and safe use by humans This research focuses on developing a novel platform for the production and delivery of the cghSAMP peptide using the filamentous fungus Aspergillus niger. A. niger is a well-established industrial microorganism, widely recognized for its strong protein secretion capabilities, high-yield production of enzymes, and classification as a generally recognized as safe (GRAS) organism. By genetically modifying A. niger to express the cghSAMP peptide transgene, we aim to leverage the fungus's robust fermentation system to produce a high volume of the antimicrobial agent. This engineered system represents a potential breakthrough in sustainable disease management, offering an environmentally friendly method for localized application or large-scale production of a biopesticide designed to mitigate the effects of citrus greening disease. The main objectives of this project were: 1. Developing a high-yield and cost-efficient bioprocess to produce an AMP in a current ABF host or readily onboarded hosts. 2. Scale up the process in stirred tank reactors and produce at least 100 grams of AMP at 1- 5g/L

60 APPLIED LIFE SCIENCES↗

Identifying Strain Stacking Boundaries between Multiphase Domains in Atomically Thin Two-Dimensional Magnets

Stacking engineering of van der Waals materials is an important strategy to control the materials’ properties, such as electronic correlations, ferroelectricity, and layer-dependent two-dimensional magnetism. A timely testbed for the study of the latter is atomically thin chromium trihalides (CrX 3 , X = Cl, Br, I). Notably, by understanding the sliding mechanism between different stacking sequences, control of the stacking arrangement, and thus magnetic properties in CrX 3 , can be achieved. Such insight, however, is currently lacking. Here, in this study, advanced electron microscopy methods are used to identify multiple stacking sequences corresponding to different bulk phases in atomically thin CrX 3 (X = Cl and Br) down to bilayer thickness and with lateral domain sizes as small as tens of nanometers. Indications of nanometer scale transitions and interactions at the stacking boundaries are found, including a universally preferred sliding direction that is consistent with density functional theory calculations and the strain fields at lateral heterostructure boundaries. This study demonstrates the necessity to consider local stacking structures when interpreting averaged magnetic properties measured with macroscale probes. Additionally, the preferred sliding direction insight from this study provides a strategy to control stacking sequence in atomically thin CrX 3 samples during the exfoliation and sample fabrication process.

DFT calculations↗

Protein–Protein Complex Stability Controls Substrate Scope in a β‐Ketoacyl‐ACP Reductase Specific for Medium Chains

Assembly-line enzymes carry out multistep synthesis of important metabolites by using acyl carrier proteins (ACPs) to shuttle intermediates along defined sequences of active sites. Despite longstanding interest in reprogramming these systems for metabolic engineering and biosynthetic chemistry, the mechanisms underlying their reaction order remain poorly understood and difficult to control. In this work, we describe a β-ketoacyl-ACP reductase from Pseudomonas putida (PpFabG4) with an unusual selectivity for medium chains and use it to explore the molecular basis of substrate specificity in enzymes that pull intermediates from fatty acid synthesis, a common route to specialized products. X-ray crystallography shows no obvious barriers to short-chain binding. Molecular simulations and supporting mutational analyses indicate that substrate preference arises instead from a weak enzyme–ACP interaction that is stabilized by medium acyl chains but not by short chains. Indeed, mutations that strengthen this interaction for PpFabG4 or weaken it for EcFabG, an Escherichia coli β-ketoacyl-ACP reductase with a broad substrate specificity, can enhance or reduce activity on short-chain substrates by over 100-fold. Our findings show how the stability of enzyme-ACP interactions can control substrate scope in promiscuous enzymes and guide the exchange of intermediates between (and within) assembly-line systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hardware-Based Demonstration of Temperature Control Functions for Reactor Systems

Establishing autonomy in reactor control systems has become essential for the expansion of nuclear technologies. Thermal regulation in particular remains crucial for maintaining stable operation and ensuring the integrity of fuel. To alleviate public skepticism of the safety of nuclear reactors, demonstrating control over this key factor is pivotal. Utilizing electric heat pads to simulate the heat released in a reactor core, thermocouples for temperature monitoring, and an Arduino micro programmable logic controller (PLC) for control, a hardware-based demonstration of a reactor heating system validates the efficacy of reactor control over this key parameter. To improve precision, a proportional-integral-derivative (PID) algorithm was implemented in the heating control loop to ensure meticulous control of reactor functions. In addition, the integration of this physical system with a digital simulator tool such as RELAP5-3D establishes a foundation for a comprehensive testing environment. This allows for a refinement of temperature control under various simulated reactor conditions, bringing another layer of reliability to the operation of the system. By facilitating a physical demonstration of reactor thermal management and control strategies, this project provides a foundation for expanded testing and educational outreach. Ultimately, this system advances the broader goal of demonstrating the safety and viability of autonomous reactor operations, contributing to public trust and future reactor deployment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mixing-Controlled Compression Ignition Combustion with Low-Lifecycle-CO 2 Fuels

Reducing lifecycle carbon-dioxide (CO 2 ) and toxic emissions via electrification or switching to carbon-free fuels is not currently feasible for many off-road, rail, and marine applications. This is due to factors including excessive cost, weight, or size of a battery of sufficient capacity to meet the application requirements, lack of infrastructure, insufficient time for recharging, demanding duty cycles, and severe ambient conditions. The guiding vision for the activities described herein is to enable rapid, cost-effective reductions of the environmental impacts of such applications by using improved, high efficiency engine combustion strategies with currently available and emerging low lifecycle-CO 2 fuels (LLCFs). This report summarizes progress toward achieving this vision in two project areas. The first is a Technology Commercialization Fund (TCF) project focused on facilitating the commercialization of ducted fuel injection (DFI) with LLCFs. The second is a more fundamental, Advanced Combustion Engines (ACE) research project focused on elucidating a new strategy called lean mixing-controlled combustion (LMCC) for use with emerging LLCFs.

33 ADVANCED PROPULSION SYSTEMS↗

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗

Deuterium trapping mechanisms in reduced activation ferritic martensitic steels and their correlation with mechanical strengthening

Development of high-strength materials often involves introduction of additional strengthening microstructures that also serve as tritium trapping sites. Such additions in fusion material development could degrade the fuel efficiency in fusion reactors and raise radiological concerns. The contribution of individual microstructure features in hydrogen trapping must be evaluated to ensure fuel efficiency and radiological safety. This study explores the mechanistic origins of deuterium trapping in reduced-activation ferritic–martensitic steels and its correlation to mechanical strengthening. A series of model alloys and engineering steels were fabricated and subjected to different heat treatments to control deuterium trapping site density. Deuterium retention was evaluated using D 2 gas charging and thermal desorption spectroscopy, focusing on the role of grain boundary, dislocation, M 23 C 6 precipitates, and TiC precipitates. Multiscale microstructure characterization and synchrotron X-ray diffraction were performed to characterize microstructure, which was correlated to the deuterium retention property. Results show that TiC precipitates exhibit the highest deuterium trapping capacity, followed by M 23 C 6 precipitates. Dislocation and grain boundary demonstrate the lowest and similar efficiencies. Furthermore, the relationship of trapping quantity and mechanical strengthening of these microstructure features was quantified, demonstrating that TiC precipitates offer highest deuterium trapping per unit of mechanical strengthening.

Retention↗

Soft interface instability and gas flow channeling in low-permeability deformable media

Understanding gas percolation through a clay layer or a shale formation is of great importance for the development of a geologic repository for nuclear waste disposal, a subsurface system for gas storage, and an engineering approach for hydrocarbon extraction from unconventional reservoirs. Gas injection experiments have revealed complex dynamic behaviours of gas percolation through water saturated compacted bentonite, characterized by a high breakthrough pressure, rapid breakthrough, a pressure/stress decay after the breakthrough, a relatively high migration rate, high-frequency periodic/nonperiodic variations in flow rate, stepwise rate reductions during relaxation, and low gas saturation over the whole process, all indicating channelling nature of the processes. Using linear stability analyses, we show that this channelling can autonomously emerge from the instability of the deformable interface between the injected gas and the compacted bentonite matrix driven by local stress concentration, pore dilation, and hydrologic gradient. Channel patterns formed would possess a fractal geometry. We further show that, once a percolating channel is established, the gas injected would percolate through the channel in a chain of gas bubbles, also due to the interface instability, resulting in periodic/chaotic variations in gas flow rate. Our work provides a unified explanation for key features observed for gas percolation in low-permeability deformable media. The work also suggests a possibility of designing an engineered barrier system for a nuclear waste repository that can have controllable gas release while limit water transport.

Bentonite↗

Coherent and Dynamic Small Polaron Delocalization in CuFeO 2

Small polarons remain a bottleneck in realizing efficient transition metal oxide devices. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain unclear. Here, we measure small polaron formation in CuFeO 2 using transient extreme ultraviolet reflection spectroscopy and compare to theoretical predictions in realistically parametrized Holstein models, demonstrating that polaron localization depends on coupling to high-frequency versus low-frequency phonon bath components. We measure small polaron formation on a comparable ∼100 fs timescale to other Fe(III) compounds. Dynamic delocalization of the polaron follows formation through a coherent lattice expansion between Fe–O layers and charge-sharing with surrounding Fe(IV) states. Simulations reveal two major factors dictate polaron formation timescales: phonon density and reorganization energy distributions between acoustic and optical modes, matching experimental findings. Our work shows how electronic-structural coupling in a polaron-host material can be leveraged to suppress polaronic effects for various applications.

Hematite↗