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795 records · Page 13

Methanol mixing−controlled compression ignition enabled via homogeneous charge compression ignition of dimethyl ether through catalytic decomposition of methanol

Methanol is a potentially attractive fuel for marine and off−road engines owing to its availability at bunkering and global distribution locations. Although methanol is well−distributed worldwide, its fuel chemistry and ignition properties make it poorly suited as a direct drop−in replacement for diesel fuel in compression−ignition engines. However, industrial processes are regularly used to convert methanol, via catalytic dehydration, to dimethyl ether (DME) over nonprecious metal catalysts. This chemical conversion can occur at relatively low pressures, temperatures, and catalyst space velocities, highlighting a potential opportunity to generate DME via onboard catalytic dehydration of methanol. DME’s fuel kinetic and ignition properties for compression ignition are much more favorable than those of methanol or even diesel fuel, but DME is more challenging than diesel fuel or methanol to pump, store, and deliver through conventional diesel fueling injection hardware. Thus, a potential opportunity exists to use the ignition and kinetic properties of DME, with the transportation and delivery advantages of methanol, in a methanol−fueled mixing−controlled compression−ignition engine. The present work explores performance, combustion behavior, and emissions reduction opportunities for methanol mixing−controlled combustion, enabled by a HCCI of DME that represents a small fraction of the total fuel energy that can be generated onboard via catalytic dehydration of methanol.

Splitter, Derek [ORNL] (ORCID:0000000174044047)

Adaptation of virtual synchronous generators to dynamic conditions in power grids

Virtual synchronous generators (VSGs) are widely adopted as grid-forming controls for inverter-based resources. However, when grid conditions vary significantly as characterized by changes in short-circuit ratio (SCR) and the reactance-to-resistance (X/R) ratio, fixed-gain designs and the commonly used P–Q decoupling assumption can become inaccurate. Such conditions can degrade transient power performance, leading to oscillations, prolonged settling, and overshoot, particularly in stiff-grid operating points. This paper quantifies how grid strength and impedance-dependent coupling affect the active–reactive power dynamics of a conventional VSG over a broad range of SCR and X/R values. An adaptive VSG tuning framework is then developed by combining (i) a coupling-explicit, impedance-parameterized state-space model to enable systematic controller synthesis, (ii) a full-state-feedback law designed via pole placement to meet prescribed damping and settling-time specifications, and (iii) a physics-informed neural network (PINN)–based online grid-impedance estimator that updates controller gains in real time as grid conditions vary. Offline simulations in MATLAB/Simulink and real-time validation on an OPAL-RT platform show that the proposed method preserves consistent damping and settling behavior with reduced overshoot across wide SCR and X/R ranges, compared with fixed-gain VSG baselines.

Adaptive control

Controlled Parametric Forcing During Directional Solidification of a Bulk Organic Alloy Under Microgravity

The response of dendritic microstructures to step-like pulling velocity conditions is investigated using microgravity directional solidification experiments conducted on DECLIC-DSI combined with phase-field simulations. Under a constant pulling velocity of 1.5 µm/s, the evolution toward steady-state growth is characterized in terms of primary spacing, dendrite drift, and tip dynamics. For the first time, side-view observations enabled direct measurement of tip radius and sidebranching frequency. When step-like oscillations of the pulling velocity are imposed, the dendritic array exhibits a strongly period-dependent response: short periods lead to rapid tip adaptation, whereas longer periods induce a phase lag between tip position and morphology, resulting in progressive tip flattening and, above a critical period, interface destabilization and dendrite splitting. Quantitative phase-field simulations, including a realistic thermal field and stochastic noise, reproduce the experimental observations and provide insight into the governing mechanisms, highlighting the role of characteristic relaxation times, sequence-dependent effects, and the irreversible reorganization of the microstructure following splitting.

Microgravity

Revealing key structures for reversible sulfur redox in amorphous polymeric sulfur

Amorphous polymeric sulfur cathodes, such as sulfurized polyacrylonitrile (SPAN), enable high-energy lithium-sulfur batteries without cobalt or nickel, leveraging abundant sulfur. However, the limited in situ understanding of their synthesis and electrochemistry has impeded targeted optimization. Here, in this study, we integrate operando high-energy total scattering with sulfur K-edge X-ray absorption spectroscopy to monitor SPAN's formation and cycling in real time. Our results show that S-C bond formation halts further fusion of cyclized polyacrylonitrile, fostering π-π stacking and a transition from long-chain to short-chain sulfur-critical for reversible sulfur redox. These features synergistically minimize polysulfide dissolution and charge-transfer resistance, enabling optimized SPAN to achieve high capacity retention over 1,000 cycles. Operando X-ray absorption spectroscopy reveals that residual protons drive thiol-thione tautomerism, with lithium replacement during the first discharge causing ~20% irreversible capacity loss. To enhance performance, minimizing -NH groups and expanding pyridine networks are key. These findings transform SPAN optimization from empirical tuning to mechanism‑guided engineering and point the way towards sulfur loadings and energy densities competitive with state‑of‑the‑art Li‑ion cathodes.

25 ENERGY STORAGE

The ReSWARM microgravity flight experiments: Planning, control, and model estimation for on‐orbit close proximity operations

Abstract On‐orbit close proximity operations involve robotic spacecraft maneuvering and making decisions for a growing number of mission scenarios demanding autonomy, including on‐orbit assembly, repair, and astronaut assistance. Of these scenarios, on‐orbit assembly is an enabling technology that will allow large space structures to be built in situ, using smaller building block modules. However, like many of these scenarios, robotic on‐orbit assembly involves several technical hurdles, such as changing system models. For instance, grappled modules moved by a free‐flying “assembler” robot can cause significant changes in the combined system inertia, which have cascading impacts on motion planning and control portions of the autonomy stack. Further, on‐orbit assembly and other scenarios require collision‐avoiding motion planning, particularly when operating in a “construction site” scenario of multiple assembler robots and structures. Multiple key technologies that address these complicating factors for autonomous microgravity close proximity operations are detailed in this work, in particular: (1) application of global long‐horizon planning, accomplished using offline and online sampling‐based planner options that consider the system dynamics; (2) adaptation of the recently proposed RATTLE information‐aware planning framework for on‐orbit reconfiguration model learning; and (3) connection with robust control tools to provide low‐level control robustness using current system knowledge. These approaches were demonstrated for an autonomous on‐orbit assembly use case by the RElative Satellite sWarming and Robotic Maneuvering (ReSWARM) experiments using NASA's Astrobee robots on the International Space Station. Results of the ReSWARM experiments are provided along with significant operational and implementation detail discussing the practicalities of hardware implementation and unique aspects of working with the Astrobee free‐flyer robots in microgravity. ReSWARM provides a base set of planning and control tools for robotic close proximity operations, demonstrates them in microgravity, and outlines some of the important hardware aspects that future autonomous free‐flyers will need to consider.

Robotics

Quantum control of Hubbard excitons

Quantum control of the many-body wavefunction is a central challenge in quantum materials research, as it could yield a precise control knob to manipulate emergent phenomena. Floquet engineering, the coherent dressing of quantum states with periodic non-resonant optical fields, has become an important strategy for quantum control. Most applications to solid-state systems have targeted weakly interacting or single-ion states, leaving the manipulation of many-body wavefunctions largely unexplored. Here, in this work, we use Floquet engineering to achieve quantum control of a strongly correlated Hubbard exciton in the one-dimensional Mott insulator Sr 2 CuO 3 . A nonresonant midinfrared optical field coherently dresses the exciton wavefunction, driving its rotation between bright and dark states. We use resonant third-harmonic generation to quantify ultrafast π/2 rotations on the Bloch sphere spanned by these exciton states. Our work advances the quest towards programmable control of correlated states and exciton-based quantum sensing.

36 MATERIALS SCIENCE

Carbon Tetrachloride Degradation Results for 200-ZP-1 Operable Unit

Carbon tetrachloride (CT) contamination in the 200-ZP-1 Operable Unit (OU) at the Hanford Site originated from large-volume discharges to the subsurface during plutonium production operations between 1955 and 1973. Contamination migrated through more than 70 meters of unsaturated sediment to reach the underlying unconfined aquifer, where it persists as a large and complex groundwater plume. The 200-ZP-1 OU Record of Decision (ROD) requires that groundwater CT concentrations be reduced to 3.4 µg/L within 125 years. Current groundwater modeling projections estimate that the existing pump-and-treat, even when combined with monitored natural attenuation (specifically hydrolysis), will not achieve this target within the designated timeframe. A fundamental contributor to this shortfall is the extremely slow rate of CT hydrolysis under Hanford aquifer conditions, which has been estimated to have a half-life of 630 years. If faster-acting biotic and abiotic degradation processes are operating within the aquifer, their contribution to CT mass reduction could have a meaningful impact. However, site-specific measurements of these processes and their rates have not previously been performed. This report documents the results of a two-phase laboratory investigation designed to characterize and quantify the capacity of site-specific 200-ZP-1 OU sediments and groundwater to support natural attenuation of CT through biotic and abiotic pathways. In this context, degradation capacity is defined as the intrinsic potential of the subsurface matrix to transform CT under optimized, controlled conditions. System capacity is evaluated in two ways: (1) as rate-limited capacity, which establishes the maximum kinetic velocity of CT transformation and is measured using half-lives and first order rate constants; and (2) as mass limited capacity, which defines the total contaminant mass the batch experimental system can degrade before reactants are exhausted, representing the maximum amount of contaminant the microbial community and reactive mineral phases can transform under the experimental conditions.

abiotic degradation

Direct Visualization of Defect‐Controlled Diffusion in van der Waals Gaps

Abstract Diffusion processes govern fundamental phenomena such as phase transformations, doping, and intercalation in van der Waals (vdW) bonded materials. Here, the diffusion dynamics of W atoms by visualizing the motion of individual atoms at three different vdW interfaces: hexagonal boron nitride (BN)/vacuum, BN/BN, and BN/WSe 2 , by recording scanning transmission electron microscopy movies is quantified. Supported by density functional theory (DFT) calculations, it is inferred that in all cases diffusion is governed by intermittent trapping at electron beam‐generated defect sites. This leads to diffusion properties that depend strongly on the number of defects. These results suggest that diffusion and intercalation processes in vdW materials are highly tunable and sensitive to crystal quality. The demonstration of imaging, with high spatial and temporal resolution, of layers and individual atoms inside vdW heterostructures offers possibilities for direct visualization of diffusion and atomic interactions, as well as for experiments exploring atomic structures, their in situ modification, and electrical property measurements of active devices combined with atomic resolution imaging.

Chemistry

A Machine Learning Framework for Error Compensation in Radiative Transfer Calculations

Radiative heat transfer influences the amount of heat flux transferred to the surface of the hypersonic vehicle, which is essential to evaluate the performance of thermal protection systems. The radiative heat flux is found to be computationally prohibitive while accounting for the variation in spatial, angular, and spectral domains. A new methodology has been recently developed to alleviate the cost of computation in the spectral domain by constructing flow-agnostic reduced-order models (ROMs). The developed spectral ROM databases provide grouping strategies that account for non-equilibrium absorption and emission as well as interaction between disparate species due to spectral overlap in associated radiative processes. However, the developed ROMs need to be optimized for a specific combination of interacting gas species and would need to re-calibrated in case individual species are added/omitted. In this work, we use various machine learning (ML) techniques to approximate the radiative intensities determined by a ROM optimized for a specific gas mixture. The ML model relies on the ROM databases developed for a single species which ignores any spectral overlap. Thus, radiation evaluation starts with a simple summation of radiative intensities predicted using these non-calibrated ROMs for the contributing species. The ML framework then provides a correction to account for the interplay in the frequency, i.e., emission of photons by one species and absorption by another, and yields mixture-specific radiation fields. Once trained on the individual ROM databases, the ML framework offers instantaneous corrections that serves as a time/cost effective alternative to the optimization of ROMs for a specific gas mixture. The ML framework is trained on both the high fidelity and ROM evaluated line of sight (LOS) data from Orion, Stardust, and FIRE II cases to obtain a general purpose correction model for earth re-entry scenarios when radiation contributions from both atomic nitrogen and atomic oxygen are considered. A geometric length scale parameter is used in the training process to account for errors introduced in the ROM databases as a consequence of high optical thickness. The efficacy of the ML framework is underscored through extensive analysis of train and test errors with respect to all the re-entry scenarios. The applicability of such an ML framework was further corroborated by embedding it in a state-of-the-art US3D - NERO system for determining the radiative heat flux transferred to the hypersonic vehicle surface.

Radiation

A molecular conveyor belt-associated protein controls the rotational direction of the bacterial type 9 secretion system

ABSTRACT Many bacteria utilize the type 9 secretion system (T9SS) for gliding motility, surface colonization, and pathogenesis. This dual-function motor supports both gliding motility and protein secretion, where rotation of the T9SS plays a central role. Fueled by the energy of the stored proton motive force and transmitted through the torque of membrane-anchored stator units, the rotary T9SS propels an adhesin-coated conveyor belt along the bacterial outer membrane like a molecular snowmobile, thereby enabling gliding motion. However, the mechanisms controlling the rotational direction and gliding motility of T9SS remain elusive. Shedding light on this mechanism, we find that in the gliding bacteriumFlavobacterium johnsoniae, deletion of the C-terminus of the conveyor belt-associated protein GldJ controls and, in fact, reverses the rotational direction of T9SS from counterclockwise (CCW) to clockwise (CW). This suggests that the interface between the conveyor belt-associated protein GldJ and the T9SS ring protein GldK plays an important role in controlling the directionality of T9SS, potentially by modulating its interaction with the stator complex GldLM, which drives motor rotation. Combined with MD simulation of the T9SS stator units GldLM, we suggest a “tri-component gearset” model where GldJ controls the rotational direction of its driver, the T9SS, thus providing adaptive sensory feedback to influence the motility of the gliding bacterium. IMPORTANCE The type 9 secretion system (T9SS) is fundamental to bacterial gliding motility, pathogenesis, and surface colonization. Our findings reveal that the C-terminal region of the conveyor belt-associated protein GldJ functions as a molecular switch which is capable of reversing the rotational direction of T9SS. Through the coordinated actions of the T9SS stator units (akin to a driving motor), the GldK ring (the gear that converts rotational energy into linear movement), and GldJ, this machinery forms a smart conveyor belt system reminiscent of flexible or cognitive mechanical conveyors. Such advanced conveyors can alter their direction to adapt to shifting demands. Here, we show that the bacterial T9SS similarly adjusts its rotational bias based on feedback from the conveyor belt-associated protein GldJ. This dual-role feedback mechanism underscores an evolved, controllable biological snowmobile, offering new avenues for studying how bacteria fine-tune motility in dynamic environments.

Microbiology

A Review of Pump Package Assembly Anomalies and Demonstration to Gain Motor Controller Replacement Capability

The International Space Station (ISS) generates heat within the US modules from systems used to operate the station, maintain crew health, and conduct science experiments in the orbiting laboratory. The Internal Thermal Control System (ITCS) collects this heat in water loops and transfers it to the external ammonia system for rejection to space. The ITCS uses six Pump Package Assemblies (PPA) as the motive force to circulate the water within the Lab, Node 2, and Node 3 (Node 1 is parasitic to the Lab and Node 3 ITCS loops). In the life of ISS, 3 PPAs have had to be replaced and 2 PPAs are currently showing signs of degradation. The first PPA to fail in 2003 was due to early coolant chemistry issues; the remaining pump failures and current pump degradations are determined to be related to the Pump/Fan Motor Controller (PFMC), with their individual signatures all being unique to this point. The PFMC of one of the failed PPAs was returned and testing confirmed its sub-components to be the root cause of the PPA failure. Due to the relative size and weight of the standalone PFMC in comparison to the integrated assembly, it is desired, from a launch and on-orbit stowage perspective, to replace the PFMC component of the degraded PPA instead of the entire PPA. The PPA was not designed for this capability, so on the ground demonstrations are planned using crew tools to show that the PFMC can be replaced on-orbit while maintaining full functionality. This paper will focus on the signatures of the two most recent PPA failures and the two PPAs showing signs of degradation, in addition to presenting the findings from the PFMC demonstration effort.

Aaron Rodriguez

A Review of Pump Package Assembly Anomalies and Demonstration to Gain Motor Controller Replacement Capability

The International Space Station (ISS) generates heat within the US modules from systems used to operate the station, maintain crew health, and conduct science experiments in the orbiting laboratory. The Internal Thermal Control System (ITCS) collects this heat in water loops and transfers it to the external ammonia system for rejection to space. The ITCS uses six Pump Package Assemblies (PPA) as the motive force to circulate the water within the Lab, Node 2, and Node 3 (Node 1 is parasitic to the Lab and Node 3 ITCS loops). In the life of ISS, 3 PPAs have had to be replaced and 2 PPAs are currently showing signs of degradation. The first PPA to fail in 2003 was due to early coolant chemistry issues; the remaining pump failures and current pump degradations are determined to be related to the Pump/Fan Motor Controller (PFMC), with their individual signatures all being unique to this point. The PFMC of one of the failed PPAs was returned and testing confirmed its sub-components to be the root cause of the PPA failure. Due to the relative size and weight of the standalone PFMC in comparison to the integrated assembly, it is desired, from a launch and on-orbit stowage perspective, to replace the PFMC component of the degraded PPA instead of the entire PPA. The PPA was not designed for this capability, so on the ground demonstrations are planned using crew tools to show that the PFMC can be replaced on-orbit while maintaining full functionality. This paper will focus on the signatures of the two most recent PPA failures and the two PPAs showing signs of degradation, in addition to presenting the findings from the PFMC demonstration effort.

Aaron Rodriguez

Microbiological Characterization and Concerns of the International Space Station Internal Active Thermal Control System

Since January 1999, the chemical the International Space Station Thermal Control System (IATCS) and microbial state of (ISS) Internal Active fluid has been monitored by analysis of samples returned to Earth. Key chemical parameters have changed over time, including a drop in pH from the specified 9.5 +/- 0.5 ta = 58.4, an increase in the level of total inorganic carbon (TIC), total organic carbon (TOC) and dissolved nickel (Ni) in the fluid, and a decrease in the phosphate (PO,) level. In addition, silver (AS) ion levels in the fluid decreased rapidly as Ag deposited on internal metallic surfaces of the system. The lack of available Ag ions coupled with changes in the fluid chemistry has resulted in a favorable environment for microbial growth. Counts of heterotrophic bacteria have increased from less than 10 colony-forming units (CFUs)/l00 mL to l0(exp 6) to l0(exp 7) CFUs/100 mL. The increase of the microbial population is of concern because uncontrolled microbiological growth in the IATCS can contribute to deterioration in the performance of critical components within the system and potentially impact human health if opportunistic pathogens become established and escape into the cabin atmosphere. Micro-organisms can potentially degrade the coolant chemistry; attach to surfaces and form biofilms; lead to biofouling of filters, tubing, and pumps; decrease flow rates; reduce heat transfer; initiate and accelerate corrosion; and enhance mineral scale formation. The micro- biological data from the ISS IATCS fluid, and approaches to addressing the concerns, are summarized in this paper.

Monsi C Roman

Smart Process Planning for Automated Fiber Placement

Many industries, including aerospace, automotive, wind energy, maritime, and sporting goods, rely on strong, lightweight materials called composites. These materials are made by layering fibers, which can come in the form of narrow strips or wider sheets, and setting them in a polymer matrix. One of the most advanced ways to make these parts is through automated fiber placement, where a machine lays down the fibers in precise patterns. This method can create very efficient and strong designs, but it is complex, expensive, and often depends heavily on the experience of skilled engineers. Today, the design, manufacturing, and inspection stages of composite production are usually handled separately. This separation means that important information, such as how a part will be built or what defects might occur, is not always shared between stages. As a result, parts may not be as lightweight, strong, or defect-free as possible, and the process can take longer and cost more. This research develops a smart process planning system that connects design, manufacturing, and inspection into one continuous process. Built as software that works with existing tools, the system can automatically plan how the fibers are placed, predicting and reducing defects while improving both manufacturability and strength. The system optimizes not only individual layers but also how defects are distributed across all layers, preventing them from stacking up in ways that weaken the final part. It also uses inspection results from completed parts to improve future designs, creating a feedback loop where each stage informs the others. The system was tested by designing a composite panel using this new approach and comparing it to a panel made with state-of-the-art manual planning methods. The results showed that the system could intentionally control where defects appeared and increase the efficiency of the planning process. By unifying design, manufacturing, and inspection, this research shows a way to make advanced composite manufacturing more efficient, consistent, and cost-effective. This approach lowers the barrier to using automated fiber placement and opens the door for its wider adoption not only in aerospace but also in industries such as automotive, wind energy, maritime, and sporting goods, where strong and lightweight structures are essential.

Computer-Aided Process Planning

Thermal Cycle and Capacitance Testing of Mezzo Industries Phase Changer Material Heat Capacitor

Effective Thermal management is essential for the safety and performance of human spacecraft, especially during long-duration missions with fluctuating heat loads. Phase Change Material (PCM) heat exchangers offer a compact, efficient solution by storing and releasing thermal energy through latent heat during phase transitions. This allows PCM systems to buffer transient thermal loads without immediate heat rejection, reducing the need for oversized radiators – particularly critical during ascent and re-entry when radiators are stowed. By maintaining stable temperatures in crew cabins and equipment bays, PCM technology enhances crew comfort, protects sensitive systems, and supports long-term mission sustainability with minimal mass and volume impact. A phase change material heat capacitor prototype, designed and built under a NASA Small Business Innovation Research grant by Mezzo Technologies, utilizes a laser welding microtube manufacturing process that promises increased reliability and performance over current manufacturing methods like brazing. This heat exchanger was tested through coolant thermal cycling within the expected flow rates and temperature range of the Orion spacecraft, the crewed spacecraft taking NASA astronauts to the moon under the Artemis Program. The useful heat storage capacitance was measured and compared to Orion spacecraft requirements.

Active Thermal Control Systems

Customizable wave tailoring nonlinear materials enabled by bilevel inverse design

Abstract Passive wave transformation via nonlinearity is ubiquitous in settings from acoustics to optics and electromagnetics. It is well known that different nonlinearities yield different effects on propagating signals, which raises the question of “what precise nonlinearity is the best for a given wave tailoring application?” In this work, considering a one-dimensional spring-mass chain connected by polynomial springs (a variant of the Fermi-Pasta-Ulam-Tsingou system), we introduce a bilevel inverse design method which couples the shape optimization of structures for tailored constitutive responses with reduced-order nonlinear dynamical inverse design. We apply it to two qualitatively distinct problems—minimization of peak transmitted kinetic energy from impact, and pulse shape transformation—demonstrating our method’s breadth of applicability. For the impact problem, we obtain two fundamental insights. First, small differences in nonlinearity can drastically change the dynamic response of the system, from severely under- to outperforming a comparative linear system. Second, the oft-used strategy of impact mitigation via “energy locking” bistability can be significantly outperformed by our optimal nonlinearity. We validate this case with impact experiments and find excellent agreement. This study establishes a framework for broader passive nonlinear mechanical wave tailoring material design, with applications to computing, signal processing, shock mitigation, and autonomous materials.

Science & Technology - Other Topics

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)