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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spatiotemporal Control over Polynucleotide Brush Growth on DNA Origami Nanostructures

DNA nanotechnology provides an approach to create precise, tunable, and biocompatible nanostructures for biomedical applications. However, the stability of these structures is severely compromised in biological milieu due to their fast degradation by nucleases. Recently, we showed how enzymatic polymerization could be harnessed to grow polynucleotide brushes of tunable length and location on the surface of DNA origami nanostructures, which greatly enhances their nuclease stability. Here, in this study, we report on strategies that allow for both spatial and temporal control over polymerization through activatable initiation, cleavage, and regeneration of polynucleotide brushes using restriction enzymes. The ability to site‐specifically decorate DNA origami nanostructures with polynucleotide brushes in a spatiotemporally controlled way provides access to “smart” functionalized DNA architectures with potential applications in drug delivery and supramolecular assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

TRANSP-based optimization towards tokamak scenario development

An optimization approach that incorporates the predictive transport code TRANSP is proposed for tokamak scenario development. Optimization methods are often employed to develop open-loop control strategies to aid access to high performance tokamak scenarios. Generally, the optimization approaches use control-oriented models, i.e. models that are reduced in complexity and prediction accuracy as compared to physics-oriented transport codes such as TRANSP. In the presented approach, an optimization procedure using the TRANSP code to simulate the tokamak plasma is considered for improved predictive capabilities. As a test case, the neutral beam injection (NBI) power is optimized to develop a control strategy that maximizes the noninductive current fraction during the ramp-up phase for NSTX-U. Simulation studies towards the achievement of noninductive ramp-up in NSTX-U have already been carried out with the TRANSP code. The optimization-based approach presented in this work is used to maximize the noninductive current fraction during ramp-up in NSTX-U, demonstrating that the scenario development task can be automated. An additional test case considers optimization of the current ramp rate in DIII-D for obtaining a stationary plasma characterized by a flat loop voltage profile in the flattop phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Conducting polymer-based electrochemical sensors: Progress, challenges, and future perspectives

Conducting polymers are promising due to their unique properties, such as excellent electrical and optical properties, physical and chemical stability, high conductivity, and effective redox properties with high-temperature stability and biocompatibility. Due to these properties, conducting polymers are useful in diverse applications like sensors, batteries, oil industries, biosensors, biomedicines, catalysis, cancer treatment, etc. This review article aims to discuss the recent trends and analysis of conducting polymer-based electrochemical sensors in diverse areas with all required sensor characteristics, such as the derived limit of detection, utilized techniques for the sensing analysis and derived linear dynamic range with the stability of the sensors. Conducting polymers and their nanocomposites-based electrochemical sensors have demonstrated exceptional capabilities towards detecting various biomolecules, heavy metals, pesticides, and viruses like SARS-COV-2. Incorporation of redox mediators, use of conducting hydrogels, and molecular imprinting are promising strategies for better performance of the derived sensor. The article has demonstrated the existing challenges and limitations and provided solutions in the field. In the future, conducting polymers-based electrochemical sensors can be utilized in wearable sensors and integrated with IoT devices for better reach in real-time applications. They can also be made more accessible with precise control and data output by following specific methodologies. Utilizing green and sustainable conducting polymers can be crucial in advancing eco-friendly practices in the future. Conducting polymer-based electrochemical sensors has affectivity in neurochemical and pathogen sensing, which is essential for brain function and mental health.

42 ENGINEERING↗
DOE OSTI2018

Data Mining for Parameters Affecting Polymorph Selection in Contorted Hexabenzocoronene Derivatives

The macroscopic properties of molecular materials can be drastically influenced by their solid-state packing arrangements, of which there can be many (e.g., polymorphism). Strategies to controllably and predictively access select polymorphs are thus highly desired, but computationally predicting the conditions necessary to access a given polymorph is challenging with the current state of the art. Using derivatives of contorted hexabenzocoronene, cHBC, we employed data mining, rather than first-principles approaches, to find relationships between the crystallizing molecule, postdeposition solvent-vapor annealing conditions that induce polymorphic transformation, and the resulting polymorphs. This analysis yields a correlative function that can be used to successfully predict the appearance of either one of two polymorphs in thin films of cHBC derivatives. Within the postdeposition processing phase space of cHBC derivatives, we have demonstrated an approach to generate guidelines to select crystallization conditions to bias polymorph access. Finally, we believe this approach can be applied more broadly to accelerate the predictions of processing conditions to access desired molecular polymorphs, making progress toward one of the grand challenges identified by the Materials Genome Initiative.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bidirectional Suzuki Catalyst Transfer Polymerization of Poly( p -phenylene)

Suzuki catalyst transfer polymerization (SCTP) has emerged as an effective method for accessing length-controlled π-conjugated poly(p-phenylene). Regio-controlled functional group sequencing along the backbone and the chain ends of synthetic polymers remains a challenge for the successful integration of organic semiconductors in sensors and electronic devices. Here, we report a bidirectional SCTP system based on dinuclear palladium(II) initiators. Functional groups transferred during the initiation and termination steps unlock independently addressable synthetic handles at the polymer core and respective chain ends. These functional groups open opportunities for late-stage regio-controlled and chemoselective derivatizations. Control over key polymer parameters, including molecular weight (M n ), dispersity ( Đ = M w /M n ), degree of polymerization ( DP ), termination efficiency, and functional group interconversion, is corroborated by size exclusion chromatography (SEC) and NMR spectroscopy. The modular design of SCTP initiators, in combination with commercially available terminating groups, represents a highly flexible toolbox for late-stage polymer conjugation, e.g., chemoselective anchoring groups for integration with functional electronics or bioorthogonal conjugation for molecular sensing.

Aldehydes↗
DOE OSTI2018

Low-Loss Near-Infrared Hyperbolic Metamaterials with Epitaxial ITO-In 2 O 3 Multilayers

Artificial metamaterials with hyperbolic dispersions exhibit unusual optical properties not found in Nature. Such hyperbolic metamaterials (HMMs) permit the access to and control of electromagnetic waves with large wave vectors. An important criterion for multilayer-based HMMs is whether the thickness of each individual layer can be far below the operating wavelength while still maintaining the material and interfacial quality. Here in this paper, we report heteroepitaxial growth of HMMs composed of multilayers of ultrathin indium tin oxide (ITO) and indium oxide (In 2 O 3 ) films. In conclusion, the disparate metallic and dielectric properties of the individual building blocks, in conjunction with the good carrier mobility and film morphology enable a low-loss infrared HMM platform on which we demonstrate ultrafast optical switching and the enhancement of the radiative decay rate of PbS quantum dots in the telecommunication wavelength regime.

36 MATERIALS SCIENCE↗
DOE OSTI2025

First demonstration of improved yield with reduced adiabat in inertial confinement fusion implosions on the National Ignition Facility

Laser-driven, indirect-drive inertial confinement fusion (ICF) experiments at the National Ignition Facility (NIF) recently achieved a target gain greater than one, where fusion energy output exceeds input laser energy [Abu-Shawareb et al., Phys. Rev. Lett. 132, 065102 (2024)]. Despite this milestone, gain levels remain insufficient for practical applications such as inertial fusion energy, making performance improvement critical. One promising approach is increasing fuel compression by lowering the implosion adiabat. To explore reduced adiabat, experiments were conducted modifying the laser pulse shape and shock timing of an existing 1.9-MJ-drive implosion design performing near the ignition cliff [Abu-Shawareb et al., Phys. Rev. Lett. 129, 075001 (2022)]. These experiments demonstrated increased compression and fusion yield in ICF implosions at the NIF by using a lower fuel adiabat, and increased compression with a reduced adiabat in high-density carbon ablators. The updated design achieved up to 80% higher fusion yield and 14% greater fuel compression compared to the previous best-performing 1.9-MJ experiment, with repeatable performance, and is the only implosion design to achieve a target gain exceeding one with < 2.04 MJ laser energy. Notably, this work was made possible because of recent advances in target quality and pulse shape control allowing experimental access to the ignition regime, and thereby increased sensitivity to adiabat. This work addresses a long-standing question in ICF research and lays the foundation for higher target gains through optimized implosion strategies. It underscores the potential of reduced adiabat designs to enhance compression and fusion yields for future ICF applications.

Hohenberger, M. [Lawrence Livermore National Labor↗
DOE OSTI2024

Codiscovering graphical structure and functional relationships within data: A Gaussian Process framework for connecting the dots

Most problems within and beyond the scientific domain can be framed into one of the following three levels of complexity of function approximation. Type 1: Approximate an unknown function given input/output data. Type 2: Consider a collection of variables and functions, some of which are unknown, indexed by the nodes and hyperedges of a hypergraph (a generalized graph where edges can connect more than two vertices). Given partial observations of the variables of the hypergraph (satisfying the functional dependencies imposed by its structure), approximate all the unobserved variables and unknown functions. Type 3: Expanding on Type 2, if the hypergraph structure itself is unknown, use partial observations of the variables of the hypergraph to discover its structure and approximate its unknown functions. These hypergraphs offer a natural platform for organizing, communicating, and processing computational knowledge. While most scientific problems can be framed as the data-driven discovery of unknown functions in a computational hypergraph whose structure is known (Type 2), many require the data-driven discovery of the structure (connectivity) of the hypergraph itself (Type 3). We introduce an interpretable Gaussian Process (GP) framework for such (Type 3) problems that does not require randomization of the data, access to or control over its sampling, or sparsity of the unknown functions in a known or learned basis. Its polynomial complexity, which contrasts sharply with the super-exponential complexity of causal inference methods, is enabled by the nonlinear ANOVA capabilities of GPs used as a sensing mechanism.

Science & Technology - Other Topics↗
DOE OSTI2024

High entropy ceramics for applications in extreme environments

Abstract Compositionally complex materials have demonstrated extraordinary promise for structural robustness in extreme environments. Of these, the most commonly thought of are high entropy alloys, where chemical complexity grants uncommon combinations of hardness, ductility, and thermal resilience. In contrast to these metal–metal bonded systems, the addition of ionic and covalent bonding has led to the discovery of high entropy ceramics (HECs). These materials also possess outstanding structural, thermal, and chemical robustness but with a far greater variety of functional properties which enable access to continuously controllable magnetic, electronic, and optical phenomena. In this experimentally focused perspective, we outline the potential for HECs in functional applications under extreme environments, where intrinsic stability may provide a new path toward inherently hardened device design. Current works on high entropy carbides, actinide bearing ceramics, and high entropy oxides are reviewed in the areas of radiation, high temperature, and corrosion tolerance where the role of local disorder is shown to create pathways toward self-healing and structural robustness. In this context, new strategies for creating future electronic, magnetic, and optical devices to be operated in harsh environments are outlined.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reduction or Enhancement of Stellarator Turbulence by Impurities

A systematic study of the impact of impurities on the turbulent heat fluxes is presented for the stellarator Wendelstein 7-X (W7-X) and, for comparison, the Large Helical Device and ITER. By means of nonlinear multispecies gyrokinetic simulations, it is shown that impurities, depending on the sign of their density gradient, can significantly enhance or reduce turbulent ion heat losses. For the relevant scenario of turbulence reduction, an optimal impurity concentration that minimizes the ion heat diffusivity emerges as a universal feature. This result demonstrates the potential of impurities for controlling turbulence and accessing enhanced confinement regimes in fusion plasmas and, in particular, in W7-X. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Exploring Hardware Support For Scaling Irregular Applications on Multi-node Multi-core Architectures

With the recent emergence of large-scale knowledge dis- covery, data mining and social network analysis, irregular applications have gained renewed interest. Classic cache-based high-performance architectures do not provide optimal performances with such kind of workloads, mainly due to the very low spatial and temporal locality of the irregular control and memory access patterns. In this paper, we present a multi-node, multi-core, fine-grained multi-threaded shared-memory system architecture specifically designed for the execution of large-scale irregular applications, and built on top of three pillars, that we believe are fundamental to support these workloads. First, we offer transparent hardware support for Partitioned Global Address Space (PGAS) to provide a large globally-shared address space with no software library overhead. Second, we employ multi-threaded multi-core processing nodes to achieve the necessary latency tolerance required by accessing global memory, which potentially resides in a remote node. Finally, we devise hardware support for inter-thread synchronization on the whole global address space. We first model the performances by using an analytical model that takes into account the main architecture and application characteristics. We describe the hardware design of the proposed cus- tom architectural building blocks that provide support for the above- mentioned three pillars. Finally, we present a limited-scale evaluation of the system on a multi-board FPGA prototype with typical irregular kernels and benchmarks. The experimental evaluation demonstrates the architecture performance scalability for different configurations of the whole system.

FPGA↗
DOE OSTI2012

Designing Next Generation Massively Multithreaded Architectures for Irregular Applications

Irregular applications, such as data mining or graph-based computations, show unpredictable memory/network access patterns and control structures. Massively multi-threaded architectures with large node count, like the Cray XMT, have been shown to address their requirements better than commodity clusters. In this paper we present the approaches that we are currently pursuing to design future generations of these architectures. First, we introduce the Cray XMT and compare it to other multithreaded architectures. We then propose an evolution of the architecture, integrating multiple cores per node and next generation network interconnect. We advocate the use of hardware support for remote memory reference aggregation to optimize network utilization. For this evaluation we developed a highly parallel, custom simulation infrastructure for multi-threaded systems. Our simulator executes unmodified XMT binaries with very large datasets, capturing effects due to contention and hot-spotting, while predicting execution times with greater than 90% accuracy. We also discuss the FPGA prototyping approach that we are employing to study efficient support for irregular applications in next generation manycore processors.

Tumeo, Antonino↗
DOE OSTI2025

Traffic Control via Connected and Automated Vehicles (CAVs): An Open-Road Field Experiment with 100 CAVs

The CIRCLES project aims to reduce instabilities in traffic flow, which are naturally occurring phenomena due to human driving behavior. Also called “phantom jams” or “stop-and-go waves,” these instabilities are a significant source of wasted energy. Toward this goal, the CIRCLES project designed a control system, referred to as the MegaController by the CIRCLES team, that could be deployed in real traffic. Our field experiment, the MegaVanderTest (MVT), leveraged a heterogeneous fleet of 100 longitudinally controlled vehicles as Lagrangian traffic actuators, each of which ran a controller with the architecture described in this article. The MegaController is a hierarchical control architecture that consists of two main layers. The upper layer is called the Speed Planner and is a centralized optimal control algorithm. It assigns speed targets to the vehicles, conveyed through the LTE cellular network. The lower layer is a control layer, running on each vehicle. It performs local actuation by overriding the stock adaptive cruise controller, using the stock onboard sensors. The Speed Planner ingests live data feeds provided by third parties as well as data from our own control vehicles and uses both to perform the speed assignment. The architecture of the Speed Planner allows for the modular use of standard control techniques, such as optimal control, model predictive control (MPC), kernel methods, and others. The architecture of the local controller allows for the flexible implementation of local controllers. Corresponding techniques include deep reinforcement learning (RL), MPC, and explicit controllers. Depending on the vehicle architecture, all onboard sensing data can be accessed by the local controllers or only some. Likewise, control inputs vary across different automakers, with inputs ranging from torque or acceleration requests for some cars to electronic selection of adaptive cruise control (ACC) setpoints in others. The proposed architecture technically allows for the combination of all possible settings proposed previously, that is {Speed Planner algorithms} × {local Vehicle Controller algorithms} × {full or partial sensing} × {torque or speed control}. As a result, most configurations were tested throughout the ramp up to the MegaVandertest (MVT).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Fast and Accurate Simulation of the Cray XMT Multithreaded Supercomputer

Irregular applications, such as data mining and analysis or graph-based computations, show unpredictable memory/network access patterns and control structures. Highly multithreaded architectures with large processor counts, like the Cray MTA-1, MTA-2 and XMT, appear to address their requirements better than commodity clusters. However, the research on highly multithreaded systems is currently limited by the lack of adequate architectural simulation infrastructures due to issues such as size of the machines, memory footprint, simulation speed, accuracy and customization. At the same time, Shared-memory MultiProcessors (SMPs) with multi-core processors have become an attractive platform to simulate large scale machines. In this paper, we introduce a cycle-level simulator of the highly multithreaded Cray XMT supercomputer. The simulator runs unmodified XMT applications. We discuss how we tackled the challenges posed by its development, detailing the techniques introduced to make the simulation as fast as possible while maintaining a high accuracy. By mapping XMT processors (ThreadStorm with 128 hardware threads) to host computing cores, the simulation speed remains constant as the number of simulated processors increases, up to the number of available host cores. The simulator supports zero-overhead switching among different accuracy levels at run-time and includes a network model that takes into account contention. On a modern 48-core SMP host, our infrastructure simulates a large set of irregular applications 500 to 2000 times slower than real time when compared to a 128-processor XMT, while remaining within 10\% of accuracy. Emulation is only from 25 to 200 times slower than real time.

Cray XMT↗
DOE OSTI2019

Utilizing TiO 2 amorphous precursors for polymorph selection: An in situ TEM study of phase formation and kinetics

Selective synthesis of metastable polymorphs requires a fundamental understanding of the complex energy landscapes in which these phases form. Recently, the development of in situ high temperature and controlled atmosphere transmission electron microscopy has enabled the direct observation of nucleation, growth, and phase transformations with near atomic resolution. In this work, we directly observe the crystallization behavior of amorphous TiO 2 thin films grown under different pulsed laser deposition conditions and quantify the mechanisms behind metastable crystalline polymorph stabilization. Films deposited at 10 mTorr chamber oxygen pressure crystallize into nanocrystalline Anatase at 325 degrees C, whereas films deposited at 2 mTorr crystallize into significantly larger needle-like grains of Brookite and Anatase at 270 degrees C. Increasing film deposition rate by a factor of 4 results in a 10x increase in the crystalline growth front velocity as well as a decrease in crystallization temperature from 270 degrees C to 225 degrees C. Engineering the amorphous precursor state through deposition conditions therefore provides routes to microstructure control and the accessibility of higher energy metastable phases.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Light Water Reactor Sustainability Program: Digital Architecture Requirements

The Digital Architecture effort is a part of the Department of Energy (DOE) sponsored Light-Water Reactor Sustainability (LWRS) Program conducted at Idaho National Laboratory (INL). The LWRS program is performed in close collaboration with industry research and development (R&D) programs that provides the technical foundations for licensing and managing the long-term, safe, and economical operation of current nuclear power plants (NPPs). One of the primary missions of the LWRS program is to help the U.S. nuclear industry adopt new technologies and engineering solutions that facilitate the continued safe operation of the plants and extension of the current operating licenses. Therefore, a major objective of the LWRS program is the development of a seamless digital environment for plant operations and support by integrating information from plant systems with plant processes for nuclear workers through an array of interconnected technologies. In order to get the most benefits of the advanced technology suggested by the different research activities in the LWRS program, the nuclear utilities need a digital architecture in place to support the technology. A digital architecture can be defined as a collection of information technology (IT) capabilities needed to support and integrate a wide-spectrum of real-time digital capabilities for nuclear power plant performance improvements. It is not hard to imagine that many processes within the plant can be largely improved from both a system and human performance perspective by utilizing a plant wide (or near plant wide) wireless network. For example, a plant wide wireless network allows for real time plant status information to easily be accessed in the control room, field workers’ computer-based procedures can be updated based on the real time plant status, and status on ongoing procedures can be incorporated into smart schedules in the outage command center to allow for more accurate planning of critical tasks. The goal of the digital architecture project is to provide a long-term strategy to integrate plant systems, plant processes, and plant workers. This include technologies to improve nuclear worker efficiency and human performance; to offset a range of plant surveillance and testing activities with new on-line monitoring technologies; improve command, control, and collaboration in settings such as outage control centers and work execution centers; and finally to improve operator performance with new operator aid technologies for the control room. The requirements identified through the activities in the Digital Architecture project will be used to estimate the amount of traffic on the network and hence estimating the minimal bandwidth needed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Large-Scale Hydrogen Storage Cyber Risk Assessment

Hydrogen storage systems may become more widely deployed throughout the country, and so it is possible that individual and interconnected systems will be exposed to cyber-attacks. These events can cause physical and financial harm to employees, people in the vicinity of the facility, and the company that owns the facility. The two main ways bad actors may access information or control from a hydrogen storage facility are through information technology and operations technology devices, the former of which refers to data and information from networked devices and the latter of which refers to onsite controls for the physical system. Both types of entryways into the system should be considered when companies conduct cyber risk assessments and when regulators develop or revise relevant codes and standards. This report analyzes cybersecurity risks associated with a generic hydrogen storage system by outlining the system's purpose and the importance of its cybersecurity. The hydrogen storage system architecture and communication protocols are provided to understand potential cyber vulnerabilities. Later, an event tree analysis is performed on hydrogen operation to identify system weaknesses by outlining potential attack scenarios. This report also identifies critical cyber assets related to different hydrogen operations followed by an examination of potential threats, and the impact of cyber assets on those operational assets.

08 HYDROGEN↗