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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High Field Magnet Programme -- European Strategy Input

In this submission, we describe research goals, implementation, and timelines of the High Field Magnet Programme, hosted by CERN. The programme pursues accelerator-magnet R&D with low-temperature- and high-temperature superconductor technology with a main focus on the FCC-hh. Following a long tradition of magnet R&D for high-energy particle colliders, HFM R&D fosters important societal impact through synergies with other fields.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Field Programmable Gate Array Data Capture for Control Systems

Some Industrial Control Systems (ICS) networks are based on protocols such as Serial and Industrial Ethernet. These protocols currently have no existing cybersecurity monitoring tools, leaving a large gap in the cyber defense of critical infrastructure. In order to analyze such ICS traffic, it is first necessary to implement methods of capturing the ICS data. Whereas traditional methods of analyzing data would use microprocessors, the nature of high-speed analog data can be difficult to implement on such a versatile processor, as they are rather inefficient for doing a single task. Whereas Field Programmable Gate Arrays (FPGAs) provide an adequate tool in analyzing high speed data, as despite the lack of program versatility, Programmable Logic can implement a solution with minimal clock cycles, allowing time for each new packet of data to be captured before a new data sample is taken.

42 ENGINEERING↗
DOE OSTI2025

Embedded 3D printing of isotropically enhanced lattice structure with programmable elasticity via three-dimensional fiber alignment

Engineered composites with fiber orientation in a complete three-dimensional (3D) context are highly desired for maximizing structural performance as they mimic the well-organized fiber arrangement in natural composites. However, most fabrication techniques lack the capability for through-plane (z-axis) alignment, limiting the possibility for structural design and performance optimization. In this study, we present an embedded 3D printing approach that enables complete 3D fiber alignment, including region-specific alignment control along the through-plane direction. Our method utilizes the extrusion and suspension of composite inks within a supporting matrix. By regionally adjusting the ink extrusion rate and nozzle translation rate, we locally manipulated the fiber arrangement within the composite 3D architecture. Here, we demonstrate that the 3D alignment of carbon fibers in a structural composite significantly enhances both mechanical properties and thermal conductivity in the in-plane and through-plane directions. Furthermore, by strategically arranging regional fiber orientations within micro-architected materials, we fabricated metamaterial engineered composites with programmable anisotropy ratio and directional moduli.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Catalytic resonance theory: Circumfluence of programmable catalytic loops

Chemical reactions on heterogeneous catalyst surfaces exhibit complex networks of elementary reactions with multiple pathways to fluid phase products, sometimes leading to surface reaction loops consisting of a closed cycle reaction pathway. While conventional catalysts at steady state exhibit zero net flux in either direction around a catalytic loop, the loop turnover frequency of three-species surface loops was evaluated in this work via microkinetic modeling to assess the reaction loop behavior resulting from a catalytic surface oscillating between two or more surface energy states. For dynamic heterogeneous catalysts undergoing applied oscillations of surface energy (i.e., programs), surface reaction loops of three species were shown to exhibit non-zero net flow of molecules around the loop, with the extent of loop turnover frequency varying with the applied frequency and amplitude of a sinusoidal or square wave oscillation. Alternatively, some dynamic surface reactions exhibited oscillations only between two surface species or resulted in surfaces covered by a single species at all times. Here, more complex behavior was observed for dynamic surface programs of three distinct electronic states, with the temporal order of applied states controlling the direction of flow of molecules within a three-molecule surface loop. Catalytic loops have the potential to limit overall catalytic reaction rates and use energy in programmable catalysts, while some applications could purposely impose non-zero loop turnover frequency for improved surface reaction control.

Catalysis↗
DOE OSTI2023

Writing the Programs of Programmable Catalysis

It has long been known that non-steady state and periodic catalytic reactor operation in terms of temperature, pressure, and composition can lead to higher overall productivity and/or product selectivity than the best steady operation. Recently, the emergence of catalysts whose intrinsic properties can be made to oscillate with time, introduces advanced forcing capabilities that can be “programmed” into the catalysts to broaden the scope and applicability of periodic operation to surface chemistry. In this work, an algorithmic approach is implemented to significantly accelerate the discovery and optimization of periodic steady states of catalytic reactors. Decomposition of complex dynamics into fundamental mechanistic fast–slow steps is seen to improve conceptual understanding of the relationship between binding energy oscillation protocols and overall catalytic rates. Finding structured forcing protocols, optimally tailored to the multiple time scales of a given individual mechanism, requires an efficient search of high-dimensional parameter spaces. Here, this is enabled here through active learning (Bayesian optimization, enhanced by our proposed Bayesian continuation). Implementation of these methods is shown to accelerate the evaluation of catalyst programs by up to several orders of magnitude. Faster screening of programmable catalysts to discover periodic steady states enables the optimization of catalytic operating protocols and thus opens the possibility for catalyst engineering based on optimal forcing programs to control rate and product selectivity, even for complex multistep catalytic mechanisms.

catalysis↗
DOE OSTI2026

Designing the Protocols for Programmable Ammonia Catalysis

Programmable catalysis can provide a more energy-efficient and cost-effective route to enhancing commercial ammonia production, a key process in the advancement of renewable energy technologies and the manufacture of fertilizers and basic chemicals. This work explores the computational discovery of optimal forcing protocols to drive such dynamic catalysis models. By employing matrix-free time-stepper methods, coupled with an optimization approach, that integrates Bayesian optimization with a Bayesian continuation strategy to efficiently discover the periodic steady states of such periodically forced systems, we enable the discovery of complex optimal catalyst strain waveforms, while ensuring robust solver convergence. We demonstrate the flexibility of our approach to discover optimized forcing protocols under varying physical constraints on strain modulation or other catalyst operating parameters. We show that these can have a temporal structure more complex than simple step functions. In order to detect undesirable catalytic loops that may correlate with overall reduced performance, we perform a study using graph-theoretical analysis to investigate the dynamics of catalytic kinetic networks formed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A field programmable gate array-based timing and control system for the dynamic compression sector

A field programmable gate array (FPGA)-based timing and trigger control system has been developed for the Dynamic Compression Sector (DCS) user facility located at the Advanced Photon Source (APS) at Argonne National Laboratory. The DCS is a first-of-its-kind capability dedicated to dynamic compression science. All components of the DCS laser shock station—x-ray choppers, single-shot shutter, internal laser triggers, and shot diagnostics—must be synchronized with respect to the arrival of x rays in the hutch. An FPGA synchronized to the APS storage ring radio frequency clock (352 MHz) generates trigger signals for each stage of the laser and x-ray shutter system with low jitter. The developed FPGA-based control system was the first system used to control the laser and the shutter system since its commissioning, and it has been developing since then to improve the timing jitter. The system is composed of a Zynq FPGA, a debug card, line drivers, and a power supply. The delay and offsets of the trigger signals can be adjusted by using a user-friendly graphical user interface with high precision. Here, the details of the system architecture, timing requirements, firmware, and software implementation along with the performance evaluation are presented in this paper. The system offers low timing jitter (15.5 ps rms) with respect to the APS 352 MHz clock, suitable for the 100 ps (FWHM) x-ray bunch duration at the APS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

A Deep Learning Approach for In-Network Synchrophasor Missing Data Recovery Using Programmable Network Switches

Phasor measurement unit (PMU) networks deliver accurate and timely measurements, which is essential for managing today’s electric power systems. To ensure data quality and enhance the cyber-resilience of PMU networks against malicious attacks and data errors, this study presents an online PMU missing data recovery scheme by leveraging P4 programmable switches. The data plane incorporates a customized PMU protocol parser that abstracts the necessary payload data for recovery. Recovery processes are executed in the control plane using a pre-trained machine learning model. Both traditional and advanced ML models, such as transformer and TimeGPT, are explicitly employed for data prediction. This approach ensures rapid and precise data recovery. Performance evaluations focus on recovery speed and accuracy, using a real dataset from a campus microgrid. With 20% missing PMU data, the mean absolute percentage error for voltage magnitude is 0.0384%, and the phase angle error discrepancy is approximately 0.4064%.

Phasor Measurement Unit, Machine Learning, Program↗
DOE OSTI2025

Architected Liquid Crystal Elastomer Lattices with Programmable Energy Absorption

Architected LCE lattices are fabricated with flow-induced alignment via direct ink writing and systematically characterized their shape morphing, stiffness, and energy absorption behavior across strain rates spanning six orders of magnitude from 10 −3 to 10 3 s −1 . It is shown that architected liquid crystal elastomer (LCE) lattices exhibit superior energy absorption compared to their non-mesogenic (silicone) counterparts. Importantly, the LCE-to-silicone energy absorption ratios are up to 18-fold higher at the highest strain rate tested. A finite element model that captures their shape-morphing response is developed, which exhibits excellent agreement with the experimental observations. In conclusion, the work opens new avenues for designing and fabricating LCE lattices with programmable alignment, shape morphing, and mechanics.

active lattices↗
DOE OSTI2021

Designer Nanomaterials through Programmable Assembly

Nanoparticles have long been recognized for their unique properties, leading to exciting potential applications across optics, electronics, magnetism, and catalysis. These specific functions often require a designed organization of particles, which includes the type of order as well as placement and relative orientation of particles of the same or different kinds. DNA nanotechnology offers the ability to introduce highly addressable bonds, tailor particle interactions, and control the geometry of bindings motifs. Here, we discuss how developments in structural DNA nanotechnology have enabled greater control over 1D, 2D, and 3D particle organizations through programmable assembly. This Review focuses on how the use of DNA binding between nanocomponents and DNA structural motifs has progressively allowed the rational formation of prescribed particle organizations. Here, we offer insight into how DNA-based motifs and elements can be further developed to control particle organizations and how particles and DNA can be integrated into nanoscale building blocks, so-called “material voxels”, to realize designer nanomaterials with desired functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles

Abstract Non‐canonical interactions in DNA remain under‐explored in DNA nanotechnology. Recently, many structures with non‐canonical motifs have been discovered, notably a hexagonal arrangement of typically rhombohedral DNA tensegrity triangles that forms through non‐canonical sticky end interactions. Here, we find a series of mechanisms to program a hexagonal arrangement using: the sticky end sequence; triangle edge torsional stress; and crystallization condition. We showcase cross‐talking between Watson–Crick and non‐canonical sticky ends in which the ratio between the two dictates segregation by crystal forms or combination into composite crystals. Finally, we develop a method for reconfiguring the long‐range geometry of formed crystals from rhombohedral to hexagonal and vice versa. These data demonstrate fine control over non‐canonical motifs and their topological self‐assembly. This will vastly increase the programmability, functionality, and versatility of rationally designed DNA constructs.

Lu, Brandon↗
DOE OSTI2022

Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles

Non-canonical interactions in DNA remain under-explored in DNA nanotechnology. Recently, many structures with non-canonical motifs have been discovered, notably a hexagonal arrangement of typically rhombohedral DNA tensegrity triangles that forms through non-canonical sticky end interactions. Here, in this study, we find a series of mechanisms to program a hexagonal arrangement using: the sticky end sequence; triangle edge torsional stress; and crystallization condition. We showcase cross-talking between Watson–Crick and non-canonical sticky ends in which the ratio between the two dictates segregation by crystal forms or combination into composite crystals. Finally, we develop a method for reconfiguring the long-range geometry of formed crystals from rhombohedral to hexagonal and vice versa. These data demonstrate fine control over non-canonical motifs and their topological self-assembly. This will vastly increase the programmability, functionality, and versatility of rationally designed DNA constructs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Programmable Gene Knockdown in Diverse Bacteria Using Mobile‐CRISPRi

Abstract Facile bacterial genome sequencing has unlocked a veritable treasure trove of novel genes awaiting functional exploration. To make the most of this opportunity requires powerful genetic tools that can target all genes in diverse bacteria. CRISPR interference (CRISPRi) is a programmable gene‐knockdown tool that uses an RNA‐protein complex comprised of a single guide RNA (sgRNA) and a catalytically inactive Cas9 nuclease (dCas9) to sterically block transcription of target genes. We previously developed a suite of modular CRISPRi systems that transfer by conjugation and integrate into the genomes of diverse bacteria, which we call Mobile‐CRISPRi. Here, we provide detailed protocols for the modification and transfer of Mobile‐CRISPRi vectors for the purpose of knocking down target genes in bacteria of interest. We further discuss strategies for optimizing Mobile‐CRISPRi knockdown, transfer, and integration. We cover the following basic protocols: sgRNA design, cloning new sgRNA spacers into Mobile‐CRISPRi vectors, Tn 7 transfer of Mobile‐CRISPRi to Gram‐negative bacteria, and ICE Bs1 transfer of Mobile‐CRISPRi to Bacillales. © 2020 The Authors. Basic Protocol 1 : sgRNA design Basic Protocol 2 : Cloning of new sgRNA spacers into Mobile‐CRISPRi vectors Basic Protocol 3 : Tn 7 transfer of Mobile‐CRISPRi to Gram‐negative bacteria Basic Protocol 4 : ICE Bs1 transfer of Mobile‐CRISPRi to Bacillales Support Protocol 1 : Quantification of CRISPRi repression using fluorescent reporters Support Protocol 2 : Testing for gene essentiality using CRISPRi spot assays on plates Support Protocol 3 : Transformation of E. coli by electroporation Support Protocol 4 : Transformation of CaCl 2 ‐competent E. coli

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Programmable hydrogels by combining persistent and transient dynamic bonds

Out-of-equilibrium chemistry is currently being applied to polymer systems to mimic the autonomous behavior of biological materials. In this study, hydrogels with self-healing properties were developed that combine persistent crosslinks from dynamic metal-ligand coordination with transient crosslinks from dynamic anhydride bonds. Polymers containing terpyridine ligands and carboxylic acid groups were synthesized and crosslinked with divalent metal ions (Fe 2+ , Ni 2+ , Co 2+ , Zn 2+ , Cu 2+ ). The coordination bonds from terpyridine–metal coordination impart persistent stability, while transient anhydrides formed on treatment with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC) temporarily increase crosslink density. Distinct behaviors are observed depending on the choice of metal, with Ni 2+ forming robust, stable networks; Zn 2+ creating moderately dynamic gels; and Cu 2+ yielding highly dynamic, soft materials. Treatment with EDC increased storage moduli significantly, with transient effects lasting up to 280 min depending on the metal ion. Self-healing experiments demonstrated independent contributions from metal coordination and transient anhydrides, enabling recovery of stress and strain under varying conditions. Additionally, complex and reversible 2D stiffness patterns were generated by spatially controlled EDC treatment of Zn 2+ and Cu 2+ hydrogel films, demonstrating programmability and reusability.

Rajawasam, Chamoni W. H. [Miami University, Oxford↗
DOE OSTI2020

Three-dimensional DNA-programmable nanoparticle superlattices

In recent decades, there have been considerable efforts made in the design and synthesis of materials comprised of functional nanoscale particles. However, there is an increasing need to establish platform approaches for creating large-scale three-dimensional (3D) organizations from these particles, with the ability to control and prescribe ordered structures. The use of DNA, as a means of programming interactions between nanocomponents, provides powerful and tailorable means for the rational self-assembly of nanomaterials. Here, the assembly pathway and assembled phases are highly dependent on both particle shape and interparticle interactions, governed by particle DNA coronas, binding modes, or linking mediators capable of complex topologies. This review highlights and discusses recent significant advancements in the field, as well as offers outlook towards future paths in the assembly of the DNA programmable three-dimensional nanoparticle superlattices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Nanocrystal programmable assembly beyond hard spheres (or shapes) and other (simple) potentials

Ligands are the key to almost any strategy in the assembly of programmable nanocrystals (or nanoparticles) and must be accurately considered in any predictive model. Hard Spheres (or Shapes) provide the simplest and yet quite successful approach to assembly, with remarkable sophisticated predictions verified in experiments. There are, however, many situations where hard spheres/shapes predictions fail. This prompts three important questions: In what situations should hard spheres/shapes models be expected to work? and when they do not work, Is there a general model that successfully corrects hard sphere/shape predictions? and given other successful models where ligands are included explicitly, and of course, numerical simulations, can we unify hard sphere/shape models, explicit ligand models and all atom simulations? . Further, the Orbifold Topological Model (OTM) provides a positive answer to these three questions. In this paper, I give a detailed review of OTM, describing the concept of ligand vortices and how it leads to spontaneous valence and nanoparticle “eigenshapes” while providing a prediction of the lattice structure, without fitting parameters, which accounts for many body effects not captured by (two-body) potentials. I present a thorough survey of experiments and simulations and show that, to this date, they are in full agreement with the OTM predictions. I conclude with a discussion on whether NC superlattices are equilibrium structures and some significant challenges in structure prediction.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Memory forensic analysis of a programmable logic controller in industrial control systems

In industrial control systems (ICS), programmable logic controllers (PLCs) are used to automate physical processes such as nuclear plants and power grid stations, and are often subject to cyber attacks. As in conventional IT domain, the memory analysis of the PLCs can help answer important forensic questions about the attack, such as the presence of malicious firmware, injection of modified control logic (the program running on the PLC), and manipulation of I/O devices (e.g., sensors and actuators). Unlike conventional IT domain, PLCs have heterogeneous hardware architecture, proprietary firmware and control software, making it challenging to employ a unified framework for their memory forensics. For merely extracting artifacts of forensic importance, reverse-engineering the firmware is a tedious task, and the effort needs to be repeated for every PLC model. As a community, a step-wise approach to tackle this challenge is to analyze the memory of specific PLCs, and subsequently find a generic framework applicable to all PLCs. Our work is a step forward in this direction. By following a methodology that focuses on the functional layer of PLCs instead of reverse engineering the firmware, we analyze the digital forensic artifacts available in a common PLC, Allen-Bradley ControlLogix 1756-L61. Before diving into the memory dump, we analyze the PLC control software to create a list of important artifacts that are sure to exist in the PLC memory dump. The approach employs a setup where PLC control software RSLogix-5000 is connected to the PLC, and the memory dump can be obtained as and when needed. We create test cases that sequentially highlight each category of artifacts, followed by an examination of the resultant impact on memory. After attaining the listed artifacts, we employ conventional string and known data searches to extract interesting information present in this PLC's memory. The memory analysis profile, presented as a Python library and shared with the community, can help a forensic investigator to readily extract forensic artifacts from the same model's controller. The adopted approach may help researchers in creating memory profile of other PLCs, and ultimately formulating a generic PLC memory analysis framework.

Rais, Muhammad Haris↗
DOE OSTI2023

Towards generic memory forensic framework for programmable logic controllers

A Programmable Logic Controller (PLC) is a microprocessor-based controller that is used to automate physical processes in critical infrastructure and various other industries and manufacturing sectors. Initially, PLCs were completely isolated from the Internet, and cyber security was not incorporated at the time of development. The introduction of industry 4.0 and the evolution of ICS systems to communicate over public IP addresses from the Internet enhanced productivity and efficiency, but Internet connectivity exposed the systems and their vulnerabilities, which led to an increase in cyber attacks. When a system is sabotaged/compromised, security analysts need to get to the root cause of the attack as quickly as possible to recover the system. To do so, memory forensic analysis is critical to provide a unique insight into the run-time memory activities and extract a reliable source of evidence. In this paper, we analyze the memory structure of the Schneider Electric Modicon M221 PLC. To build a memory profile, we reverse engineer the communication protocol and conduct differential analysis to gain knowledge about the structure of the memory and the low-level representation of control logic instructions. We then identify dynamic and static memory regions by modifying different project fields and conducting differential analysis, which allows us to identify boundaries of critical memory structures and extract important forensic artifacts that can be found in the memory. The Python implementation of the memory profile can help reduce the time and effort required for manual analysis in case of cyber incident or system failure.

97 MATHEMATICS AND COMPUTING↗