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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Uniaxial stress effect on the electronic structure of quantum materials

Uniaxial stress has proven to be a powerful experimental tuning parameter for effectively controlling lattice, charge, orbital, and spin degrees of freedom in quantum materials. In addition, its ability to manipulate the symmetry of materials has garnered significant attention. Recent technical progress to combine uniaxial stress cells with quantum oscillation and angle-resolved photoemission techniques allowed to study the electronic structure as function of uniaxial stress. This review provides an overview on experimental advancements in methods and examines studies on diverse quantum materials, encompassing the semimetal WTe 2 , the unconventional superconductor Sr 2 RuO 4 , Fe-based superconductors, and topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Beyond Conventional Sensing: Hybrid Plasmonic Metasurfaces and Bound States in the Continuum

Fano resonances result from the strong coupling and interference between a broad background state and a narrow, almost discrete state, leading to the emergence of asymmetric scattering spectral profiles. Under certain conditions, Fano resonances can experience a collapse of their width due to the destructive interference of strongly coupled modes, resulting in the formation of bound states in the continuum (BIC). In such cases, the modes are simultaneously localized in the nanostructure and coexist with radiating waves, leading to an increase in the quality factor, which is virtually unlimited. In this work, we report on the design of a layered hybrid plasmonic-dielectric metasurface that facilitates strong mode coupling and the formation of BIC, resulting in resonances with a high quality factor. We demonstrate the possibility of controlling Fano resonances and tuning Rabi splitting using the nanoantenna dimensions. We also experimentally demonstrate the generalized Kerker effect in a binary arrangement of silicon nanodisks, which allows for the tuning of the collective modes and creates new photonic functionalities and improved sensing capabilities. Our findings have promising implications for developing plasmonic sensors that leverage strong light-matter interactions in hybrid metasurfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Physical Metric for Inertial Confinement Fusion Capsules

The performance of fusion capsules on the National Ignition Facility (NIF) is strongly affected by the physical properties of the hot deuterium–tritium (DT) fuel, such as the mass, areal density, and pressure of the hot spot at the stagnation time. All of these critical quantities depend on one measured quantity, which is the ratio of the specific peak implosion energy to the specific internal energy of the hot spot. This unique physical quantity not only can measure the incremental progress of the inertial confinement fusion capsules towards ignition but also measures the conversion of the peak implosion kinetic energy of the pusher shell into the internal energy of the hot fuel in a capsule. Analysis of existing NIF shots to date are performed. The ratio metric is compared quantitatively with the ignition criterion. Results provide new perspectives on the NIF experiments by which the performance of the burning plasma can be determined and controlled through the fine tune of the implosion parameters, which improves future designs and predictions of the ignition capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Uniaxial stress effect on the electronic structure of quantum materials

Uniaxial stress has proven to be a powerful experimental tuning parameter for effectively controlling lattice, charge, orbital, and spin degrees of freedom in quantum materials. In addition, its ability to manipulate the symmetry of materials has garnered significant attention. Recent technical progress to combine uniaxial stress cells with quantum oscillation and angle-resolved photoemission techniques allowed to study the electronic structure as function of uniaxial stress. This review provides an overview on experimental advancements in methods and examines studies on diverse quantum materials, encompassing the semimetal WTe2, the unconventional superconductor Sr2RuO4, Fe-based superconductors, and topological materials.

FOS: Physical sciences↗
DOE OSTI2024

On the evaluation and selection of network-level traffic control policies: Perimeter control, TUC, and their combination

Perimeter control (PC) of urban traffic networks can be effective in increasing network-wide efficiency. PC operates on the border of a protected region of a traffic network. Most studies thus far considered fixed-time plans for the inner part of these regions. A few studies have shown that combining PC with locally actuated or decentralized traffic control systems may have positive effects on traffic performance, including better-defined Network Macroscopic Fundamental Diagrams (NMFDs), increased network throughput, and reduced delays. The Traffic-responsive Urban Control (TUC) is a real-time network-wide traffic control system with particular design characteristics, such as the balancing of link's occupancies and an inherent gating feature. These characteristics suggest that TUC may enhance the traffic network performance when combined with PC whilst improving the resulting NMFDs and network throughput and delays. Here, in this work, we investigate the effect of feedback perimeter control (FPC), TUC, and their combination on the NMFD and on the traffic conditions of general traffic and public transport in the microsimulation of a realistic model of the Christchurch Central Business District in New Zealand. We perform a thorough investigation of practical aspects of both control strategies and their combination, including parameter tuning and infrastructure requirements, and how they may affect the control system choice. Results show higher throughput and less hysteresis on the NMFDs, particularly when TUC is involved. PC provides benefits concentrated in the protected region which can greatly benefit public transportation if there is an overlap with the transit network. The combination of TUC and FPC boosts network-wide throughput.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Production and Fuel properties of Iso-Olefins with Controlled Molecular Structure and Obtained from Butene Oligomerization

The ability to control the molecular structure (e.g., degree of branching) of iso-olefins produced from oligomerizing light olefins is a valuable tool for tuning the final compositions of hydrocarbon fuels and targeting specific fuel properties. In this study, we demonstrated that the degree of branching of iso-olefins obtained from butene(s) oligomerization can be controlled by tuning process conditions (i.e., temperature, weight hourly space velocity [WHSV], and nature of butene feedstock) and by choosing the proper catalyst (i.e., Amberlyst-36 vs. Y/ZSM-22). In this study, we produced three types of iso-olefin mixtures: 1) a methyl-heptenes rich (74 wt.%) mixture, 2) dimethyl-hexenes rich (80–96 wt.%) mixtures, and 3) highly branched (i.e., more than three methyl substitutions) iso-olefins rich (>50 wt.%) mixtures. While dimethyl-hexenes are preferentially formed at lower temperatures (60–100°C) and WHSV (i.e., 2 hr-1), methyl-heptenes are favorably produced at higher temperatures (>100°C) and WHSVs (i.e., 7 hr-1) over Amberlyst-36. The use of either 1-butene or 2-butene as feedstock resulted in liquid products with similar branching because facile intramolecular isomerization occurs prior to oligomerization. However, the use of isobutylene feedstock forms a significantly more branched olefin product. The formation of highly branched iso-olefins also is favored at higher temperature (140°C) over Amberlyst-36. Using Y/ZSM-22 instead of Amberlyst-36 allowed preferential formation of less-branched methyl-heptenes. For each type of iso-olefins mixture, we determined fuel properties including research octane number (RON), motor octane number (MON), and octane sensitivity (S), which is the difference between RON and MON. We found that not only RON and MON but also S values increased with the degree of branching of these complex mixtures of iso-olefins. The highest RON of 99.7 and S value of 9.3 were obtained for a mixture of highly branched iso-olefins.

Dagle, Vanessa↗
DOE OSTI2020

Tuning interfacial Dzyaloshinskii-Moriya interactions in thin amorphous ferrimagnetic alloys

Skyrmions can be stabilized in magnetic systems with broken inversion symmetry and chiral interactions, such as Dzyaloshinskii-Moriya interactions (DMI). Further, compensation of magnetic moments in ferrimagnetic materials can significantly reduce magnetic dipolar interactions, which tend to favor large skyrmions. Tuning DMI is essential to control skyrmion properties, with symmetry breaking at interfaces offering the greatest flexibility. However, in contrast to the ferromagnet case, few studies have investigated interfacial DMI in ferrimagnets. Here we present a systematic study of DMI in ferrimagnetic CoGd films by Brillouin light scattering. We demonstrate the ability to control DMI by the CoGd cap layer composition, the stack symmetry and the ferrimagnetic layer thickness. The DMI thickness dependence confirms its interfacial nature. In addition, magnetic force microscopy reveals the ability to tune DMI in a range that stabilizes sub-100 nm skyrmions at room temperature in zero field. Our work opens new paths for controlling interfacial DMI in ferrimagnets to nucleate and manipulate skyrmions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Local microenvironment tuning induces switching between electrochemical CO 2 reduction pathways

Gas diffusion layers (GDL) have become a critical component in electrochemical CO 2 reduction (CO 2 R) systems because they can enable high current densities needed for industrially relevant productivity. Besides this function, it is often assumed that the choice of catalyst and electrolyte play much more important roles than the GDL in influencing the observed product selectivity. Here, we show that tuning of the GDL pore size can be used to control the local microenvironment of the catalyst and hence, effect significant changes in catalytic outcomes. This concept is demonstrated using sputtered Ag films on hydrophobic PTFE substrates with 6 different pore sizes. Although Ag is known to be a predominantly CO generating catalyst, we find that smaller pore sizes favor the generation of formate up to a faradaic efficiency of 43%. Combined experimental and simulation results show that this is due to the influence of the pore size on CO 2 mass transport, which alters the local pH at the electrode, resulting in reaction pathway switching between CO and formate. Importantly, our results highlight the importance of the local microenvironment as an experimental knob that can be rationally tuned for controlling product selectivity: a key consideration in the design of CO 2 R systems.

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

Large language models generate functional protein sequences across diverse families

Deep-learning language models have shown promise in various biotechnological applications, including protein design and engineering. Here, in this paper, we describe ProGen, a language model that can generate protein sequences with a predictable function across large protein families, akin to generating grammatically and semantically correct natural language sentences on diverse topics. The model was trained on 280 million protein sequences from >19,000 families and is augmented with control tags specifying protein properties. ProGen can be further fine-tuned to curated sequences and tags to improve controllable generation performance of proteins from families with sufficient homologous samples. Artificial proteins fine-tuned to five distinct lysozyme families showed similar catalytic efficiencies as natural lysozymes, with sequence identity to natural proteins as low as 31.4%. ProGen is readily adapted to diverse protein families, as we demonstrate with chorismate mutase and malate dehydrogenase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Case Study of Tunable White LED Lighting with Networked Lighting Controls (Emory University Cognitive Empowerment Program)

Emory University and Georgia Institute of Technology (Georgia Tech) partnered to create the Charlie and Harriet Schaffer Cognitive Empowerment Program (CEP) facility in northeast Atlanta. Together with the funders they are building a program to help individuals experiencing mild cognitive impairment (MCI) to maintain their physical and cognitive health, and independence as long as possible. In addition to applying effective strategies and therapies, the two research groups are investigating the responses of the MCI members to treatments that involve acoustical conditions, exercise and movement, and lighting changes that may support retention or relearning of skills. Care partners and family members receive support and instruction to improve home and work life, promoting joy, purpose, and wellness in the family groups. The lighting system uses tunable-white LEDs, employing luminaires with both warm and cool-color emitters that can be dimmed separately to produce any white correlated color temperature (CCT) between 2700 K and 6500 K. All luminaires were dimmable to achieve subdued or lively surroundings for different treatments, time-of-day, and mood. A central networked digital control system was employed to allow tuning of multiple spaces together (for example, bright, cool morning light could be programmed for extra stimulation, or lighting in all spaces at the end of the day could be reduced in both light output and CCT to promote relaxation and not interfere with the melatonin cycle of occupants). Almost all spaces were equipped with individual room control of dimming and color temperature with touch screens to allow users to tune the lighting as desired, but each room’s controls could also be specially programmed through the server in case the research staff were investigating lighting settings on learning, for example. The server incorporates a timeclock, and it is able to send signals to switch off all lighting after occupancy hours, or enable occupancy sensors to control the lighting. The bulk of the construction work was completed in January 2020. It was clear from an initial walk-through that although the lighting system produced the expected high light level with low-glare qualities of light, that there were issues and inconsistencies to be resolved. These were noted in an initial punchlist visit and expected to be resolved when the tech representatives from the agency visited with the electrical contractor in the following few weeks. What followed was 2.5 years of identifying unexpected lighting performance in terms of light output, color, scheduling, and occupancy. This report documents the issues encountered in the effort to get the lighting and controls systems to operate as intended. It concludes with guidance for design professionals and manufacturers to help avoid problematic complexity in future projects.

42 ENGINEERING↗
DOE OSTI2023

Bandwidth Control and Symmetry Breaking in a Mott‐Hubbard Correlated Metal

Abstract In Mott materials strong electron correlation yields a spectrum of complex electronic structures. Recent synthesis advancements open realistic opportunities for harnessing Mott physics to design transformative devices. However, a major bottleneck in realizing such devices remains the lack of control over the electron correlation strength. This stems from the complexity of the electronic structure, which often veils the basic mechanisms underlying the correlation strength. This study presents control of the correlation strength by tuning the degree of orbital overlap using picometer‐scale lattice engineering. This study illustrates how bandwidth control and concurrent symmetry breaking can govern the electronic structure of a correlated SrVO 3 model system. This study shows how tensile and compressive biaxial strain oppositely affect the SrVO 3 in‐plane and out‐of‐plane orbital occupancy, resulting in the partial alleviation of the orbital degeneracy. The spectral weight redistribution under strain is derived and explained, which illustrates how high tensile strain drives the system toward a Mott insulating state. Implementation of such concepts can push correlated electron phenomena closer toward new solid‐state devices and circuits. These findings therefore pave the way for understanding and controlling electron correlation in a broad range of functional materials, driving this powerful resource for novel electronics closer toward practical realization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tuning the Interpolation Basis in a Multigrid Decomposition for Local Error Control

In the compression of scientific data, error-controlled compressors enable to considerably decrease the size of the dataset while maintaining adequate levels of accuracy. In this paper, we note that multi-level refactoring scheme such as MGARD i) rely on an approximation of the data based on the interpolation of coefficients, ii) estimate the resulting error with global metrics on the dataset. To improve on these two aspects, we propose a method that aims to divide the original dataset into blocks based on their smoothness and refactors each block separately with the most relevant interpolation order. We show the relevance of such a method on tailored datasets and the benefits and challenges when applying it to large scientific data.

Vidal, Nicolas [ORNL]↗
DOE OSTI2020

Data-driven predictive probability density function control of fiber length stochastic distribution shaping in refining process

Pulp is the most important raw material in paper in paper industries, whose Fiber Length Stochastic Distribution (FLSD) shaping directly determines the energy consumption and paper quality of the subsequent papermaking processes. However, the mean and variance are insufficient to describe the output FLSD shaping, which display non-Gaussian distribution properties. Therefore, the traditional control, method based on the mean and variance of fiber length is difficult to control the FLSD shaping effectively. In this paper, a novel data-driven predictive probability density function (PDF) control method is proposed for output FLSD shaping in refining process. Primarily, in order to improve the approximation accuracy of the PDF employing RBF neural network, the parameters (center value and width) of each RBF basis functions are tuned via utilizing iterative learning control (ILC) law, and the corresponding estimations of weights law can be obtained. Secondly, considering that the conventional linear model of weights vector has drawbacks of low accuracy and weak generalization ability, random vector functional link networks (RVFLNs) based data driven nonlinear modelling method is employed to characterize the prediction model between the input variables and weights vector. Finally, in order to reduce the randomness of the output FLSD, a minimum entropy control method under mean constraint is employed to design the predictive PDF controller for the output FLSD shaping with the help of the established nonlinear stochastic distribution model. Both simulations and experiments are given to illustrate the effectiveness and practicability of the proposed method.

Probability debsity function, Fiber length distrib↗
DOE OSTI2025

A Model Predictive Control to Improve Grid Resilience

The following article details a model predictive control (MPC) to improve grid resilience when faced with variable generation resources. This topic is of significant interest to utility power systems where distributed intermittent energy sources will increase significantly and be relied on for electric grid ancillary services. Previous work on MPCs has focused on narrowly targeted control applications such as improving electric vehicle (EV) charging infrastructure or reducing the cost of integrating Energy Storage Systems (ESSs) into the grid. In contrast, this article develops a comprehensive treatment of the construction of an MPC tailored to electric grids and then applies it integration of intermittent energy resources. To accomplish this, the following article includes a description of a reduced order model (ROM) of an electric power grid based on a circuit model, an optimization formulation that describes the MPC, a collocation method for solving linear time-dependent differential algebraic equations (DAEs) that result from the ROM, and an overall strategy for iteratively refining the behavior of the MPC. Next, the algorithm is validated using two separate numerical experiments. First, the algorithm is compared to an existing MPC code and the results are verified by a numerically precise simulation. It is shown that this algorithm produces a control comparable to existing algorithms and the behavior of the control carefully respects the bounds specified. Second, the MPC is applied to a small nine bus system that contains a mix of turbine-spinning-machine-based and intermittent generation in order to demonstrate the algorithm’s utility for resource planning and control of intermittent resources. This study demonstrates how the MPC can be tuned to change the behavior of the control, which can then assist with the integration of intermittent resources into the grid. The emphasis throughout the paper is to provide systematic treatment of the topic and produce a novel nonlinear control compatible design framework applicable to electric grids and the control of variable resources. This differs from the more targeted application-based focus in most presentations.

microgrid↗
DOE OSTI2020

Robust control of the minima of high-order harmonics by fine-tuning the alignment of CO 2 molecules for shaping attosecond pulses and probing molecular alignment

In a recent paper, we reported that the position and depth of the minima in the harmonic spectra of CO 2 molecules can be dramatically manipulated by a slight change of the degree of alignment, thus providing a convenient method of shaping attosecond pulses which could lead to the splitting of a typical single attosecond burst into two. Here, we demonstrate that harmonic minima can also be dramatically controlled by changing the pump-probe angles to shape attosecond pulses. In the meanwhile, since the pump-probe angle-dependent harmonic spectra are very sensitive to the degree of alignment, harmonic spectra can also be used to calibrate the alignment distribution of molecules. In this work we identify such robust control of harmonic generation is due to the optical property of CO 2 and the coherent harmonic emission from the oriented molecules. The photoionization transition dipoles (PITDs) of CO 2 exhibit deep minima that change rapidly with molecular orientations accompanied by large phase changes of π in PITDs, thus leading to strong interference when the dipoles are added up coherently.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Adaptive Model-Free Vehicle Path-Tracking via Fast-Converging Prescribed-Time Newton-Based Extremum-Seeking Control

Model-free control (MFC) offers a simple and effective approach to automated vehicle path-tracking without requiring an explicit plant model for control law design. However, gain tuning in MFC is typically carried out through trial-and-error, which can be time-consuming and may lead to suboptimal performance. To address this limitation, extremum-seeking-based adaptive MFC has shown promise by enabling real-time adaptation of control gains, without relying on a predefined vehicle model. Nonetheless, existing ESC approaches often suffer from slow convergence. This paper integrates MFC, employing longitudinal and lateral ultra-local models of a rear-wheel-drive vehicle, with a novel prescribed-time (PT) Newton-based extremum-seeking control (ESC) strategy that ensures rapid convergence of control gains within the prescribed time. Unlike conventional gradient-based ESC methods, the PT Newton-based ESC leverages artificial delays and time-periodic gains, not only to guarantee convergence within the specified time, but also to compensate for feedback delays. Simulation results demonstrate that the proposed approach significantly improves gain adaptation speed and tracking accuracy. This work advances adaptive model-free vehicle control by offering a high-performance, delay-resilient alternative to existing ESCMFC frameworks.

Waleed khan, Muhammad [The University of Texas at ↗
DOE OSTI2022

Manipulating high-temperature superconductivity by oxygen doping in Bi2Sr2CaCu2O8+δ thin flakes

Abstract Harnessing the fascinating properties of correlated oxides requires precise control of their carrier density. Compared to other methods, oxygen doping provides an effective and more direct way to tune the electronic properties of correlated oxides. Although several approaches, such as thermal annealing and oxygen migration, have been introduced to change the oxygen content, a continuous and reversible solution that can be integrated with modern electronic technology is much in demand. Here, we report a novel ionic field-effect transistor using solid Gd-doped CeO2 as the gate dielectric, which shows a remarkable carrier-density-tuning ability via electric-field-controlled oxygen concentration at room temperature. In Bi2Sr2CaCu2O8+δ (Bi-2212) thin flakes, we achieve a reversible superconductor–insulator transition by driving oxygen ions in and out of the samples with electric fields, and map out the phase diagram all the way from the insulating regime to the over-doped superconducting regime by continuously changing the oxygen doping level. Scaling analysis indicates that the reversible superconductor–insulator transition for the Bi-2212 thin flakes follows the theoretical description of a two-dimensional quantum phase transition. Our work provides a route for realizing electric-field control of phase transition in correlated oxides. Moreover, the configuration of this type of transistor makes heterostructure/interface engineering possible, thus having the potential to serve as the next-generation all-solid-state field-effect transistor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Structure–Function Relationships in Sequence-Controlled Copolymers for Rare Earth Element Chelation

The ability to tune material function through primary sequence is a defining feature of biological macromolecules, allowing precise control over structure and target interactions in complex aqueous environments. However, translating sequence–structure–function relationships to synthetic macromolecules is challenging due to their dispersity in sequence, conformation, and composition. Here, we report systematic studies of amphiphilic polymer chelators designed to probe how composition and patterning influence binding affinity and selectivity for rare earth elements (REEs), a series of technologically relevant metals with challenging separation profiles. A library of copolymers varying hydrophobic monomer composition and patterning was synthesized via reversible addition–fragmentation chain transfer (RAFT) polymerization, spanning statistical, gradient, and block architectures. REE binding was quantified using a high-throughput colorimetric assay, and reconstruction of polymer ensembles using kinetic stochastic simulations enabled quantitative comparisons of sequence heterogeneity, linking local monomer colocalization to emergent REE binding. Further, we investigated the role of different hydrophobic comonomers in tuning metal coordination, with binding trends linked to structural features that influence binding site desolvation. Complementary dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS) measurements showed that both polymer and monomer architecture modulate metal-induced conformational changes, and that multichain assembly behavior emerges beyond critical hydrophobic thresholds. Sequence control also altered REE selectivity, with nonmonotonic differences observed across compositionally identical polymers with different sequence architectures. Together, these findings establish design principles that connect polymer sequence and structure to binding performance, guiding the design of macromolecular chelators with enhanced affinity and selectivity for applications in separations, sensing, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗