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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Bioproduction, bioprotection, and biocontainment in multi-kingdom microbial systems with 3D spatial control

Engineered living materials (ELMs) are a class of hybrid materials that include engineered microbes encapsulated by a polymer matrix. The biotic and abiotic components define the ELMs design space and can be altered to improve performance and function. While current synthetic materials in the field display robust biocompatibility with both native and engineered living systems, we have a limited understanding of how to leverage three-dimensional (3D) form factors to spatially organize and control microbial dynamics within the material. Motivated by this knowledge gap, we employed extrusion-based 3D printing to fabricate multi-kingdom hydrogel constructs for the encapsulation of both single and multi-kingdom microbial systems. Core–shell cubic constructs enabled the spatial organization of a constitutive multi-kingdom system of levodopa (L-DOPA)-producing E. coli and betaxanthins (BXN)-producing S. cerevisiae. This spatial organization in 3D materials can introduce precise control over bioproduction, bioprotection, and biocontainment features that are critical to the efficacy of current ELMs. The relative spatial organization of the organisms, as well as the surface area-to-volume ratio were investigated to determine how these design elements impact microbial behavior (metabolite production, growth, expression, and cell distribution) over time. We demonstrated that F127-bis-urethane methacrylate (F127-BUM) core–shell geometries enable the hierarchical 3D printing of multi-kingdom constructs, offering customizable control over bioproduction, bioprotection, and biocontainment. With the optimization of these core–shell structures for continuous bioproduction, these ELMs could be deployed as compact and sustainable bioreactors in remote environments.

additive manufacturing↗
DOE OSTI2023

Causal interaction in high frequency turbulence at the biosphere–atmosphere interface: Structure–function coupling

At the biosphere–atmosphere interface, nonlinear interdependencies among components of an ecohydrological complex system can be inferred using multivariate high frequency time series observations. Information flow among these interacting variables allows us to represent the causal dependencies in the form of a directed acyclic graph (DAG). Here, we use high frequency multivariate data at 10 Hz from an eddy covariance instrument located at 25 m above agricultural land in the Midwestern US to quantify the evolutionary dynamics of this complex system using a sequence of DAGs by examining the structural dependency of information flow and the associated functional response. We investigate whether functional differences correspond to structural differences or if there are no functional variations despite the structural differences. We base our analysis on the hypothesis that causal dependencies are instigated through information flow, and the resulting interactions sustain the dynamics and its functionality. To test our hypothesis, we build upon causal structure analysis in the companion paper to characterize the information flow in similarly clustered DAGs from 3-min non-overlapping contiguous windows in the observational data. We characterize functionality as the nature of interactions as discerned through redundant, unique, and synergistic components of information flow. Through this analysis, we find that in turbulence at the biosphere–atmosphere interface, the variables that control the dynamic character of the atmosphere as well as the thermodynamics are driven by non-local conditions, while the scalar transport associated with CO and H 2 O is mainly driven by short-term local conditions.

58 GEOSCIENCES↗
DOE OSTI2022

Simulating Extreme Precipitation in the United States in the Energy Exascale Earth System Model: Investigating the Importance of Representing Convective Intensity versus Dynamic Structure (Final Report)

Weather events that produce extreme precipitation are associated with severe flooding and winds that result in thousands of deaths and billions of dollars in damages annually in the United States (U.S.). This project aims to improve understanding of the small- and large-scale processes that govern these events and improve our ability to project changes in these extreme events under the influences of natural variability and human activities. We focus on two promising directions in the development of the U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) to investigate the tradeoffs between resolving the convective-scale processes that control the intensity versus the intermediate-scale processes that control the dynamic structure of the most prominent extreme precipitation events that impact the U.S. throughout the year (i.e., mesoscale convective systems, tropical cyclones, and extratropical cyclone).

58 GEOSCIENCES↗
DOE OSTI2025

Autonomous Infrared and Small (Wide) Angle X-Ray Scattering (IR-S(W)AXS) Capability

Thin water films are 2-D, nanoconfined layers that form on solid surfaces exposed to humid atmospheres—environments ubiquitous across catalysis, corrosion science, soil science, and subsurface geochemistry. At relative humidity (RH) values below saturation, these films are Å–nm thick and exhibit properties that differ sharply from bulk water, including disrupted H-bonding and impeded mass transport. Owing to their high surface-to-volume ratio, dissolution of the solid can rapidly drive strong supersaturation with respect to secondary phases. Reactivity in thin water films is highly sensitive to film thickness, and critically, thickness evolves during reaction because the hygroscopicity of the interfacial system changes as ions accumulate or diminish in the film and as reaction products transform. To accurately probe and control these dynamics, a capability is needed that can measure and automatically maintain a constant water-film thickness while simultaneously monitoring solid dissolution, nucleation, and growth. This project developed an autonomous Infrared/Small Angle X-ray Scattering-Wide Angle X-ray Scattering (IR/(W)SAXS) for investigating reactivity in thin water films on solid surfaces exposed to humidified gases. The capability consists of an IR spectrometer, a (W)SAXS instrument, and a mass flow controller system for generating variably humidified gas flows to a custom reaction cell. Progress on each of the major components of the capability are detailed below.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Manipulation of Exciton Dynamics in Single-Layer WSe 2 Using a Toroidal Dielectric Metasurface

Recent advances in emerging atomically thin transition metal dichalcogenide semiconductors with strong light–matter interactions and tunable optical properties provide novel approaches for realizing new material functionalities. Coupling two-dimensional semiconductors with all-dielectric resonant nanostructures represents an especially attractive opportunity for manipulating optical properties in both the near-field and far-field regimes. In this work, by integrating single-layer WSe 2 and titanium oxide (TiO 2 ) dielectric metasurfaces with toroidal resonances, we realized robust exciton emission enhancement over 1 order of magnitude at both room and low temperatures. Furthermore, we could control exciton dynamics and annihilation by using temperature to tailor the spectral overlap of excitonic and toroidal resonances, allowing us to selectively enhance the Purcell effect. Our results provide rich physical insight into the strong light–matter interactions in single-layer TMDs coupled with toroidal dielectric metasurfaces, with important implications for optoelectronics and photonics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exact reaction coordinates for flap opening in HIV-1 protease

The primary goal of protein science is to understand how proteins function, which requires understanding the functional dynamics responsible for transitions between different functional structures of a protein. A central concept is the exact reaction coordinates that can determine the value of committor for any protein configuration, which provide the optimal description of functional dynamics. Despite intensive efforts, identifying the exact reaction coordinates (RCs) in complex molecules remains a formidable challenge. Using the recently developed generalized work functional, we report the discovery of the exact RCs for an important functional process—the flap opening of HIV-1 protease. Our results show that this process has six RCs, each one is a linear combination of ~240 backbone dihedrals, providing the precise definition of collectivity and cooperativity in the functional dynamics of a protein. Applying bias potentials along each RC can accelerate flap opening by 10 3 to 10 4 folds. The success in identifying the RCs of a protein with 198 residues represents a significant progress beyond that of the alanine dipeptide, currently the only other complex molecule for which the exact RCs for its conformational changes are known. Our results suggest that the generalized work functional (GWF) might be the fundamental operator of mechanics that controls protein dynamics.

Science & Technology - Other Topics↗
DOE OSTI2025

From TPL assessment to design optimization: Wave energy converter control co-design applied to the RM3

The Reference Model (RM) project developed six marine energy converter concepts using a sequential design methodology, which, while widely adopted in the industry, often overlooks interactions between system components, resulting in suboptimal designs. One such example is the Reference Model 3 (RM3), a two-body point absorber wave energy converter (WEC). An assessment using the Technology Performance Level (TPL) revealed that RM3’s low power-to-cost ratio, partly due to expensive steel construction, limits its techno-economic performance. Here, this study aims to redesign RM3 by reducing its scale and employing control co-design to integrate WEC and Power Take-Off (PTO) dynamics, constraints, and cost considerations within an optimization framework. We demonstrate the limitations of RM3’s current PTO design and explore the benefits of scaling down to enhance techno-economic viability by lowering material costs. Using WecOptTool, we conduct a parameter sweep over gear ratios and spring stiffnesses for various Commercial Off-The-Shelf generators in irregular wave conditions. Our findings emphasize the importance of aligning PTO components with WEC dynamics, showing that control co-design and strategic scaling can improve RM3’s power-to-cost ratio. This study presents a transferable example of applied control co-design for other WECs, supporting early-stage developers in their design decisions.

Off the shelf components↗
DOE OSTI2021

Solving the Dynamics-Aware Economic Dispatch Problem with the Koopman Operator

The dynamics-aware economic dispatch (DED) problem embeds low-level generator dynamics and operational constraints to enable near real-time scheduling of generation units in a power network. DED produces a more dynamic supervisory control policy than traditional economic dispatch (T-ED) that reduces overall generation costs. However, in contrast to T-ED, DED is a nonlinear, non-convex optimization problem that is computationally prohibitive to solve. We introduce a machine learning-based operator-theoretic approach for solving the DED problem efficiently. Specifically, we develop a novel discrete-time Koopman Operator (KO) formulation that embeds domain information into the structure of the KO to learn high-fidelity approximations of the generator dynamics. Using the KO approximation, the DED problem can be reformulated as a computationally tractable linear program (abbreviated DED-KO). We demonstrate the high solution quality and computational-time savings of the DED-KO model over the original DED formulation on a 9-bus test system.

King, Ethan↗
DOE OSTI2024

Novel plasma actuator for mitigation of dynamic stall

A novel plasma actuator, the Linear Counter-flow using a Point Embedded Electrode (LCPEE), is developed for the prevention of dynamic stall for a sinusoidal pitching movement between α = 4° and α = 18°. The LCPEE is implemented on a NACA0012 airfoil and tested at a Reynolds Number of Re c = 2 × 105 and reduced frequency of k = π/16. Prior investigations using a standard linear actuator showed that the exposed electrode introduced perturbations passively which delayed dynamic stall when the actuator was off. For the LCPEE actuator, when turned off, there is least passive delay. When the LCPEE is turned on at St f = 50, the dynamic stall is prevented for the sinusoidal pitching motion of the airfoil. The LCPEE actuator is also tested for the same sinusoidal motion between α = 6° and α = 20°. Four cases are considered for the higher α range of motion: actuator off, actuator on at St f = 50 with a sinusoidal input waveform, actuator on at St f = 50 with a triangular input waveform, and actuator on at Stf = 100 with a sinusoidal input waveform. Specifically for the last case, experiment shows no flow reversal demonstrating the efficacy of LCPEE in controlling the dynamic stall. The effects of LCPEE on the flow energy distribution have also been studied by using proper orthogonal decomposition (POD) method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Light-Driven Ultrafast Polarization Manipulation in a Relaxor Ferroelectric

Relaxor ferroelectrics have been intensely studied for decades based on their unique electromechanical responses which arise from local structural heterogeneity involving polar nanoregions or domains. Here, we report first studies of the ultrafast dynamics and reconfigurability of the polarization in freestanding films of the prototypical relaxor 0.68PbMg 1/3 Nb 2/3 O 3 -0.32PbTiO 3 (PMN-0.32PT) by probing its atomic-scale response via femtosecond-resolution, electron-scattering approaches. By combining these structural measurements with dynamic phase-field simulations, we show that femtosecond light pulses drive a change in both the magnitude and direction of the polarization vector within polar nanodomains on few-picosecond time scales. This study defines new opportunities for dynamic reconfigurable control of the polarization in nanoscale relaxor ferroelectrics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro‐Continuum Reactive Transport Model

Abstract In multi‐mineral fractured rocks, the altered porous layer on the fracture surface resulting from preferential dissolution of the fast‐reacting minerals can have profound impacts on subsequent chemical‐physical alteration of the fractures. This study adopts the micro‐continuum approach to provide further understanding of reactive transport processes in the altered layer (AL), and mass exchanges with the bordering matrix and fracture. The modeling framework couples the Darcy‐Brinkman‐Stokes (DBS) solver in COMSOL Multiphysics and the geochemical modeling capability of CrunchFlow. Three‐dimensional steady state simulations with systematically varied chemical‐physical parameters of the AL were performed to examine the impacts of individual factors and processes. Our simulation results confirm previous observations that dissolution of the fast‐reacting mineral (i.e., calcite) is largely controlled by diffusion across the AL. We also show that dissolution of the slow‐reacting mineral (i.e., dolomite), which controls AL development and fracture enlargement, increases with surface area and has a complex dependence on different local rate‐limiting processes. In particular, advection can result in evident spatial variations in the local dissolution rates of dolomite, although it does not affect the bulk chemistry significantly. The difference in the spatial patterns between simulations with and without advection in the AL is more noticeable in the locations with smaller apertures, with up to 20% difference in local reaction rates. Therefore, it is important to include a full depiction of advection, diffusion, and reactions for accurately capturing local dynamics that control long‐term fracture evolution.

58 GEOSCIENCES↗
DOE OSTI2024

Enhancing actuation control in monolithic liquid crystal elastomer films with dual heat and light responsiveness

This study presents a dual heat and light-responsive monolithic liquid crystal elastomers (LCEs) film designed to enhance actuation control. The LCE films were capable of various motion types, including curvature reversal, oscillation, and sustainable flipping. By incorporating an azobenzene compound, the films exhibited additional functionalities such as enhanced curvature reversal, accelerated oscillation, and the ability to lock continuous flipping motion upon light stimulation. Furthermore, by adjusting the aspect ratio (AR) of a single film, different thermal motion states were realized, demonstrating the flexibility of this approach. Observations using an NIR camera confirmed temperature fluctuations corresponding to thermal exchange, and the influence of UV light on motion regulation was quantitatively analyzed. In conclusion, the ability to regulate motion through dual stimuli paves the way for improved dynamic motion control and thermal management in advanced robotic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Semicoherent symmetric quantum processes: Theory and applications

Discovering pragmatic and efficient approaches to construct ε-approximations of quantum operators such as real (imaginary) time-evolution propagators in terms of the basic quantum operations (gates) is challenging. Prior ε-approximations are invaluable, in that they enable the compilation of classical and quantum algorithm modeling of, e.g., dynamical and thermodynamic quantum properties. In parallel, symmetries are powerful tools concisely describing the fundamental laws of nature; the symmetric underpinnings of physical laws have consistently provided profound insights and substantially increased predictive power. In this work, we consider the interplay between the ε-approximate processes and the exact symmetries in a semicoherent context—where measurements occur at each logical clock cycle. Here we draw inspiration from Pascual Jordan's groundbreaking formulation of nonassociative, but commutative, symmetric algebraic form. Our symmetrized formalism is then applied in various domains such as quantum random walks, real-time evolutions, variational algorithm ansatzes, and efficient entanglement verification. Our work paves the way for a deeper understanding and greater appreciation of how symmetries can be used to control quantum dynamics in settings where coherence is a limited resource.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Generation and Control of Self-Organized Nonlinear Kinetic Structures in High Energy Density Plasmas in the Presence of Intense Magnetic Fields and Ultrashort Laser Pulses

Goals were to study the interplay between electron plasma waves (EPW), KEEN waves and externally generated magnetic fields. In particular, the Weibel instability B field generation process and its interrelationship with the existence of nonlinear EPWs in high energy density plasmas. We focused on a number of models of how Kinetic, Nonlinear Electron Plasma Waves, KNL-EPW and KEEN waves create anisotropic electron velocity distribution functions, e- VDF, and how these anisotropic e- VDFs in turn drive the Weibel instability and generate B fields. Our goal is to control the SRS and SKEENS processes that generate the KNL-EPW, control the anisotropy, and thus also control the dynamics of the resulting B fields, their influence on the transport coefficients and heat transport that results, their modification of SRS itself and the reinforced anisotropy driven loop gain.

(Kinetic electrostatic electron nonlinear) KEEN wa↗
DOE OSTI2020

Linking low and high temperature NO oxidation mechanisms over Brønsted acidic chabazite to dynamic changes of the active site

The oxidation of NO over Brønsted acid sites in chabazite (CHA) zeolites shows an atypical temperature dependence; at low temperature the apparent activation energy is negative, but it becomes positive as the temperature exceeds a transition temperature. To explain this behavior we used density functional theory and statistical mechanics to investigate high and low temperature mechanisms for this reaction and propose a dynamic active site change in response to temperature variation. Our simulations show that the apparent activation barrier in the low temperature regime is more negative over Brønsted acidic CHA as compared to the siliceous zeolite framework. This effect is attributed to further enthalpic stabilization of the transition states by physical interaction with the H-CHA Brønsted acid sites. At elevated temperature, our calculations support both the existence and the significant catalytic role of NO+ in providing a modified active site. The temperature dependent transformation of the active site from H-CHA to NO-CHA sites may occur via two plausible ion-exchange mechanisms that define a transition temperature for the reaction. This transition temperature can be tuned by incorporating different trivalent metal atoms (B, Al, Ga or In) within the CHA framework. We found the lowest transition temperature for H-[In] CHA and H-[Ga]CHA. Here, the ability to control the dynamic response of the active site and the associated switch between low and high temperature mechanism with negative and positive apparent activation energy, respectively, is of fundamental interest for the design of zeolite catalysts operating in the presence of NO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dynamic Formation of a Transient Jet from Arched Magnetized Laboratory Plasma

Abstract A laboratory plasma experiment was built to explore the eruptive behavior of arched magnetized plasmas with dimensionless parameters relevant to the Sun’s photosphere ( β ≈ 10 −3 , Lundquist number ≈10 4 , plasma radius/ion gyroradius ≈20, ion–neutral collision frequency ≫ion cyclotron frequency). Dynamic formation of a transient plasma jet was observed in the presence of the strapping magnetic field. The eruption leading to the jet is unintuitive because the arched plasma is both kink- and torus-stable. The jet structure erupts within a few Alfvén transit times from the formation of the arched plasma. Extensive measurements of plasma temperature, density, magnetic field, and flows are presented. In its early stages, the jet plasma flows away from the arch with supersonic speeds (Mach 1.5). This high-speed flow persists up to the resistive diffusion time in the arched plasma and is driven by large gradients in the magnetic and thermal pressures near the birthplace of jets. There are two distinct electric current channels within the jet, one consisting of outgoing electrons and another composed of electrons returning to the anode footpoint. Significant current density around the jet is a consequence of the diamagnetic current produced by a large thermal pressure gradient in the jet. Ion–neutral charge-exchange collisions provide an efficient mechanism to produce the cross-field current and control the dynamics of the complex current channels of the jet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Opposite Response of DNA and RNA Viruses to Soil Warming and Implications for Microbial Functions

Soil viruses control the dynamics and metabolism of their hosts, strongly modifying carbon and nutrient cycling as well as soil biochemistry. Warming specifically affects viruses and their hosts, but the consequences of climate warming on the virus–host interactions, and for soil functions, remain unknown. Here, we investigated the viral communities and the virus–host interactions under warming in situ based on a forest soil column translocation experiment. The abundance of the Petitvirales (DNA viruses) decreased by 25%, but that of the Durnavirales and Martellivirales (RNA viruses) strongly increased. The DNA viral lysogenic signals and RNA viral lytic proteins increased in soil, indicating the opposite lifestyles of DNA and RNA viruses. Correspondingly, the DNA abundance of viral hosts increased, whereas RNA viral hosts remained stable. The high DNA viruses/host ratios reflect very intensive interactions between the virus and host, leading to the drop in the host functions (such as carbon metabolism processes and nitrogen and phosphorus cycles) up to 43%. In contrast, the functions of the hosts for RNA viruses increased by up to 48%. The fundamental difference in behaviour of DNA and RNA viruses is that the former use mainly lysogenic, whereas the latter lytic, lifestyles and thus control the responses of host communities to warming. Conclusively, the opposite response of DNA and RNA viruses to warming in abundance, lifestyle, and interactions with hosts leads to divergent changes in nutrient fluxes in soil. These new perspectives on viral regulations of microbial communities and their function under soil warming reveal the undeniable role of viruses in microbial ecology.

forest soil↗
DOE OSTI2025

Dynamic Modeling, Trajectory Optimization, and Linear Control of Cable-Driven Parallel Robots for Automated Panelized Building Retrofits

The construction industry faces a growing need for automation to reduce costs, improve accuracy and productivity, and address labor shortages. One area that stands to benefit significantly from automation is panelized prefabricated building envelope retrofits, which can improve a building’s energy efficiency in heating and cooling interior spaces. In this paper, we propose using cable-driven parallel robots (CDPRs), which can effectively lift and handle large objects, to install these panels. However, implementing CDPRs presents significant challenges because of their nonlinear dynamics, complex trajectory planning, and precise control requirements. To tackle these challenges, this work focuses on a new application of established control and trajectory optimization theories in a CDPR simulation of a building envelope retrofit under real-world conditions. We first model the dynamics of CDPRs, highlighting the critical role of damping in system behavior. Building on this dynamic model, we formulate a trajectory optimization problem to generate feasible and efficient motion plans for the robot under operational and environmental constraints. Given the high precision required in the construction industry, accurately tracking the optimized trajectory is essential. However, challenges such as partial observability and external vibrations complicate this task. To address these issues, a Linear Quadratic Gaussian control framework is applied, enabling the robot to track the optimized trajectories with precision. Simulation results show that the proposed controller enables precise end effector positioning with errors under 4 mm, even in the presence of external wind disturbances. Through comprehensive simulations, our approach allows for an in-depth exploration of the system’s nonlinear dynamics, trajectory optimization, and control strategies under controlled yet highly realistic conditions. The results demonstrate the feasibility of CDPRs for automating panel installation and provide insights into their practical deployment.

CDPR↗