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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multistate resistance in TaN/(Hf,Zr)O 2 /Ta ferroelectric tunnel junctions

Ferroelectric tunnel junctions (FTJs) utilizing hafnium zirconium oxide (HZO) have emerged as promising non-volatile memory elements for microelectronics, compatible with back end of line (BEOL) complementary–metal–oxide semiconductor fabrication. This study investigates asymmetric electrode TaN/HZO/Ta devices with a 6 nm thick HZO layer as FTJs for multistate resistive memory applications. The individual FTJs exhibit a resistance ratio exceeding 10× when utilized as a binary state device, with pulsing between −1.7 and +1.4 V to set the high resistance state (HRS) and low resistance state (LRS), respectively. Following with reduced write voltage pulses allows the ferroelectric device to operate with a selection of over 32 distinct resistance states (2 5 bits) between the LRS and HRS. This work then explores the stability of the resistance states during write/read pulse cycling, along with the stability of the state after multiple read pulses. Accessing the multibit state shows stability within 50 reads with the binary state remaining stable for more than 4000 reads pulses. With their multistate tunability and versatility, FTJs hold promise as BEOL memory elements for compute-in-memory (CiM) arrays, binary digital memory, or weighted vector matrix multiplication applications with low power consumption during computations.

CMOS↗
DOE OSTI2021

Infrared intrusion detection system (IRIDS)

A system and method for intrusion detection includes an imager directed towards an object in an interior space. The imager is in data communication with a computer. The computer is arranged to process digital three-dimensional image data received from the imager and programmed to execute a change detection algorithm in response to the processed three-dimensional data to determine movement of the object. The computer generates an alarm output in response to detecting movement of the object above a predetermined threshold. The method includes providing an imager directed towards an object in an interior space; receiving Time of Flight signals by the imager; processing digital three-dimensional image data received from the imager; and executing a change detection algorithm in response to the processed three-dimensional data to determine movement of the object.

Russell, John L.↗
DOE OSTI2024

Multichannel meta-imagers for accelerating machine vision

Rapid developments in machine vision technology have impacted a variety of applications, such as medical devices and autonomous driving systems. These achievements, however, typically necessitate digital neural networks with the downside of heavy computational requirements and consequent high energy consumption. As a result, real-time decision-making is hindered when computational resources are not readily accessible. Here we report a meta-imager designed to work together with a digital back end to offload computationally expensive convolution operations into high-speed, low-power optics. Further, in this architecture, metasurfaces enable both angle and polarization multiplexing to create multiple information channels that perform positively and negatively valued convolution operations in a single shot. We use our meta-imager for object classification, achieving 98.6% accuracy in handwritten digits and 88.8% accuracy in fashion images. Owing to its compactness, high speed and low power consumption, our approach could find a wide range of applications in artificial intelligence and machine vision applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

A Digital Twin of Scalable Quantum Clouds

Quantum computing has emerged as a transformative technology capable of solving complex problems beyond the limit of classical systems. The rapid development of quantum processors has led to the proliferation of cloud-based quantum computing services offered by platforms such as IBM, Google, and Amazon. These platforms introduce unique challenges in resource allocation, job scheduling, and multi-device orchestration as quantum workloads become increasingly complex. In this work, we present a digital twin of quantum cloud infrastructures: a framework designed to model and simulate the behavior of real quantum cloud systems. Developed in Python using the SimPy discrete-event simulation library, the framework replicates key aspects of quantum cloud environments, including detailed quantum device modeling, job lifecycle management, and job fidelity. It incorporates noise-aware fidelity estimation, making it the first of its kind to simulate superconducting gate-based quantum cloud systems at an administrative level with job fidelity. We present use cases as proof of concept, demonstrating that our quantum cloud simulation framework can act as a digital twin of a quantum cloud and support the modeling and implementation of practical systems.

Luo, Waylon [Kent State University]↗
DOE OSTI2025

Quantitative Comparisons of Image Quality for Flash X-Ray Detectors

Due to X-rays’ ability to penetrate materials, flash X-ray radiography can be used for high-speed measurements where direct optical access is not possible. Choice of detector has a pronounced impact on resulting image quality. Four different detector systems were evaluated with a 450kVp flash source to quantitatively compare image quality metrics. The scintillating digital detector had less image noise than the three different storage phosphor computed radiography detectors across all transmission levels, but lacked the spatial resolution of the computed radiography detectors. For the screens tested here, the HPX-DR digital system had the highest signal to noise ratio of 68.24 and contrast to noise ratio of 35.53, but had the lowest spatial resolution, resolving 2.5 line pairs per millimeter at 1.78% contrast. At a value of 37.59, the Flex GP imaging plate had a signal to noise value above its storage phosphor counterparts under a 450kVp flash source. For radiographic setups typically used for dynamic experiments, the Flex XL Blue and Flex HR detectors had signal to noise ratios of 18.44 and 26.56 respectively. The highest resolved spatial frequencies of the Flex GP, Flex XL Blue, and Flex HR with the flash source are 3.85, 5.00, and 3.85 line pairs per millimeter, respectively. In conclusion, the Flex GP detector had the best combination of signal to noise ratio, contrast to noise ratio, and spatial resolution under a flash source.

computed radiography↗
DOE OSTI2026

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Meta-optic accelerators for object classifiers

Rapid advances in deep learning have led to paradigm shifts in a number of fields, from medical image analysis to autonomous systems. These advances, however, have resulted in digital neural networks with large computational requirements, resulting in high energy consumption and limitations in real-time decision-making when computation resources are limited. Here, we demonstrate a meta-optic–based neural network accelerator that can off-load computationally expensive convolution operations into high-speed and low-power optics. In this architecture, metasurfaces enable both spatial multiplexing and additional information channels, such as polarization, in object classification. End-to-end design is used to co-optimize the optical and digital systems, resulting in a robust classifier that achieves 93.1% accurate classification of handwriting digits and 93.8% accuracy in classifying both the digit and its polarization state. This approach could enable compact, high-speed, and low-power image and information processing systems for a wide range of applications in machine vision and artificial intelligence.

42 ENGINEERING↗
DOE OSTI2020

The potential of quantum annealing for rapid solution structure identification

Abstract The recent emergence of novel computational devices, such as quantum computers, coherent Ising machines, and digital annealers presents new opportunities for hardware-accelerated hybrid optimization algorithms. Unfortunately, demonstrations of unquestionable performance gains leveraging novel hardware platforms have faced significant obstacles. One key challenge is understanding the algorithmic properties that distinguish such devices from established optimization approaches. Through the careful design of contrived optimization tasks, this work provides new insights into the computation properties of quantum annealing and suggests that this model has the potential to quickly identify the structure of high-quality solutions. A meticulous comparison to a variety of algorithms spanning both complete and local search suggests that quantum annealing’s performance on the proposed optimization tasks is distinct. This result provides new insights into the time scales and types of optimization problems where quantum annealing has the potential to provide notable performance gains over established optimization algorithms and suggests the development of hybrid algorithms that combine the best features of quantum annealing and state-of-the-art classical approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

End-to-end AI framework for interpretable prediction of molecular and crystal properties

We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inference. The framework is based on state-of-the-art AI models including CGCNN, PhysNet, SchNet, MPNN, MPNN-transformer, and TorchMD-NET. We employ these AI models along with the benchmark QM9, hMOF, and MD17 datasets to showcase how the models can predict user-specified material properties within modern computing environments. We demonstrate transferable applications in the modeling of small molecules, inorganic crystals and nanoporous metal organic frameworks with a unified, standalone framework. We have deployed and tested this framework in the ThetaGPU supercomputer at the Argonne Leadership Computing Facility, and in the Delta supercomputer at the National Center for Supercomputing Applications to provide researchers with modern tools to conduct accelerated AI-driven discovery in leadership-class computing environments. We release these digital assets as open source scientific software in GitLab, and ready-to-use Jupyter notebooks in Google Colab.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mode-multiplexed photonic integrated vector dot-product core from inverse design

Photonic computing has the potential to harness the full degrees of freedom (DOFs) of the light field, including the wavelength, spatial mode, spatial location, phase quadrature, and polarization, to achieve a higher level of computing parallelism and scalability than digital electronic processors. While multiplexing using the wavelength and other DOFs can be readily integrated on silicon photonics platforms with compact footprints, conventional mode-division multiplexed (MDM) photonic designs occupy areas exceeding tens to hundreds of microns for a few spatial modes, significantly limiting their scalability. Here, we utilize inverse design to demonstrate an ultracompact photonic computing core that calculates vector dot products based on MDM coherent mixing. Our dot-product core integrates the functionalities of two-mode multiplexers and one multimode coherent mixer within a nominal footprint of 5 μm x 3 μm . We have experimentally demonstrated computing examples on the fabricated dot-product core, including complex number multiplication and motion estimation using optical flow. The compact dot-product core design enables large-scale on-chip integration in a parallel photonic computing primitive cluster for high-throughput scientific computing and computer vision tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Toward Mixed Analog-Digital Quantum Signal Processing: Quantum AD/DA Conversion and the Fourier Transform

Signal processing stands as a pillar of classical computation and modern information technology, applicable to both analog and digital signals. Recently, advancements in quantum information science have suggested that quantum signal processing (QSP) can enable more powerful signal processing capabilities. However, the developments in QSP have primarily leveraged digital quantum resources, such as discrete-variable (DV) systems like qubits, rather than analog quantum resources, such as continuous-variable (CV) systems like quantum oscillators. Consequently, there remains a gap in understanding how signal processing can be performed on hybrid CV-DV quantum computers. Here we address this gap by developing a new paradigm of mixed analog-digital QSP. We demonstrate the utility of this paradigm by showcasing how it naturally enables analog-digital conversion of quantum signals—specifically, the transfer of states between DV and CV quantum systems. We then show that such quantum analog-digital conversion enables new implementations of quantum algorithms on CV-DV hardware. This is exemplified by realizing the quantum Fourier transform of a state encoded on qubits via the free-evolution of a quantum oscillator, albeit with a runtime exponential in the number of qubits due to information theoretic arguments. Collectively, this work marks a significant step forward in hybrid CV-DV quantum computation, providing a foundation for scalable analog-digital signal processing on quantum processors.

42 ENGINEERING↗
DOE OSTI2025

xGFabric: Coupling Sensor Networks and HPC Facilities with Private 5G Wireless Networks for Real-Time Digital Agriculture

Advanced scientific applications require coupling distributed sensor networks with centralized high-performance computing facilities. Citrus Under Protective Screening (CUPS) exemplifies this need in digital agriculture, where citrus research facilities are instrumented with numerous sensors monitoring environmental conditions and detecting protective screening damage. CUPS demands access to computational fluid dynamics codes for modeling environmental conditions and guiding real-time interventions like water application or robotic repairs. These computing domains have contrasting properties: sensor networks provide low-performance, limited-capacity, unreliable data access, while high-performance facilities offer enormous computing power through high-latency batch processing. Private 5G networks present novel capabilities addressing this challenge by providing low latency, high throughput, and reliability necessary for near-real-time coupling of edge sensor networks with HPC simulations. This work presents xGFabric, an end-to-end system coupling sensor networks with HPC facilities through Private 5G networks. The prototype connects remote sensors via 5G network slicing to HPC systems, enabling real-time digital agriculture simulation.

Digital Agriculture↗
DOE OSTI2020

CLUE: A Fast Parallel Clustering Algorithm for High Granularity Calorimeters in High-Energy Physics

One of the challenges of high granularity calorimeters, such as that to be built to cover the endcap region in the CMS Phase-2 Upgrade for HL-LHC, is that the large number of channels causes a surge in the computing load when clustering numerous digitized energy deposits (hits) in the reconstruction stage. In this article, we propose a fast and fully parallelizable density-based clustering algorithm, optimized for high-occupancy scenarios, where the number of clusters is much larger than the average number of hits in a cluster. The algorithm uses a grid spatial index for fast querying of neighbors and its timing scales linearly with the number of hits within the range considered. We also show a comparison of the performance on CPU and GPU implementations, demonstrating the power of algorithmic parallelization in the coming era of heterogeneous computing in high-energy physics.

Rovere, Marco↗
DOE OSTI2023

Short-Depth QAOA circuits and Quantum Annealing on Higher-Order Ising Models (Rev.2)

The Quantum Alternating Operator Ansatz (QAOA) and Quantum Annealing (QA) are quantum algorithms that are both based on the adiabatic theorem and both have the goal of sampling the optimal solution(s) of combinatorial optimization problems. Quantum annealing has been physically instantiated on D-Wave devices using superconducting flux qubits, and QAOA can be programmed on digital gate-model quantum computers such as the programmable superconducting transmon qubits devices of the IBMQ series, for instance ibm washington. QAOA and QA address the same types of problems, but it is unclear how they will scale to large problem sizes and to larger and higher-fidelity quantum computers. In this article, we present a direct comparison between QAOA, one and two rounds, run on all 127 qubits of ibm washington and QA run on D-Wave Advantage system4.1 and Advantage system6.1. The problems which allow for this comparison are random Ising model problems whose connectivity matches the heavy hexagonal lattice topology of ibm washington and the Pegasus graph connectivity of the two D-Wave devices. We create two classes of problem instances for this comparison: one with higher order terms (ZZZ variable interactions), linear terms, and quadratic terms, and a separate problem type with only linear and quadratic terms. Our QAOA circuits are novel and extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of ibm washington’s heavy hexagonal lattice and can be applied to future heavy-hex chips. We also test the effectiveness of the error suppression technique digital dynamical decoupling on the QAOA circuits. The QAOA circuits compiled to ibm washington are composed of several thousand circuit instructions, approximately 3, 000 depending on the details of the circuit, making these some the largest quantum circuits ever executed on a digital quantum processor. QAOA and QA are compared against the classical heuristic algorithm of simulated annealing and all problem instances are exactly solved using CPLEX in order to evaluate which samplers, if any, correctly found the ground state solution(s) of the problem instances. We find that (i) QA outperforms QAOA on all problem instances, (ii) QAOA samples the problems better than random sampling, and (iii) QAOA angle computation exhibits clear parameter concentration across the ensemble of Ising models.

127 Qubits↗
DOE OSTI2026

Preliminary proof-of-concept of real-time divertor heat flux control from infrared cameras with nitrogen injection in the DIII-D tokamak

In future tokamak reactors like ITER and the Fusion Pilot Plant (FPP), real-time feedback control of heat flux to the plasma-facing components (PFC) will be critical for steady-state operation. This work presents the first experimental demonstration of real-time divertor heat flux estimation with infrared thermography and feedback control with impurity seeding on the DIII-D tokamak. The flexible infrastructure of the Plasma Control System (PCS) on DIII-D makes this new capability possible. The PCS software runs on a gateway computer system, and five real-time compute nodes. An array of low latency streaming digitizers from D-TACQ Solutions connects to these real-time computers to collect and process data, and send commands to actuators during plasma discharges. This system handles the signal IO from the tokamak and allows the PCS to utilize the diagnostic data necessary to perform control in real-time. Feedback control on heat flux was accomplished by feeding infrared camera data from the “Infrared TV” (IRTV) camera to a custom-developed User Datagram Protocol (UDP) server. This server transmits infrared data to a newly developed PCS algorithm that estimates the heat flux to PFC. Here, a proportional integral derivative (PID) controller minimizes the error between a heat flux reference and the real-time estimate by injecting nitrogen gas into the divertor.

Algorithm development↗
DOE OSTI2024

Improving the User Interface of the DeepLynx Data Warehouse

DeepLynx is an open-source ontology-based data warehouse created by INL to support the creation and life cycle of digital engineering projects, with a particular emphasis on digital twins [1]. Digital twins are systems that represent physical assets and process in a real-time digital environment [1]. Most well-known commercial data warehouses use Graphical User Interfaces (GUIs) for users to interact with their systems [3]. Limited publications have addressed the design of these interfaces and understanding of their target users. The current users and development team acknowledge the need to improve the current UI, not just for aesthetics but to improve functionality and workflow of DeepLynx. Traditional data warehouse users are developers, data scientists and business analysts [2]. DeepLynx users have a vast range of experience using data warehouses, and diverse roles, including engineers, scientists and management positions. Because there is a broader audience of target users for DeepLynx than a typical data warehouse, it is essential that DeepLynx has a useable and intuitive user interface. To achieve this the team performed human-computer interaction methods, including a Heuristic Evaluation of current UI using Neilsen’s Usability Heuristic, create personas based on current users by designing a user survey, data analysis and develop of personas. Followed by a redesign of the UI following using Neilsen’s Usability Heuristic and Norman’s Principles of Interactive Design in industry standard software Figma. Lastly a Heuristic Evaluation of new UI design, using Neilsen’s Usability Heuristic and User testing of redesign UI and have a group of users complete a Thinking Aloud Test of the new UI. Preliminary results of the Heuristic Evaluation of current UI arise issue with Consistency and Standards, Visibility of System Status, Match System and Real World and Recognition Rather than Recall. These issues were addressed in the proposed redesign by applying Neilsen’s Usability Heuristic and Norman’s Principles of Interactive Design. Next steps include formalized list of lessons learned and design implications for future publications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Digital Twin: Visualizing the Future of the Power Grid [Slides]

The energy systems are generating data at a scale and complexity that increasingly outpaces our ability to analyze it. This talk argues that rigorous, large-scale visualization is a critical tool for meeting that challenge. Drawing on recent work in the Computational Science Center at the National Laboratory of the Rockies, we trace a progression of visualization research culminating in an immersive digital twin of a real campus power grid. Along the way, we examine why visualization matters at all, where widely-used techniques quietly fail, and what becomes analytically possible when you match the display environment to the scale of the problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Adaptive Phenotypic Plasticity Stabilizes Evolution in Fluctuating Environments

Fluctuating environmental conditions are ubiquitous in natural systems, and populations have evolved various strategies to cope with such fluctuations. The particular mechanisms that evolve profoundly influence subsequent evolutionary dynamics. One such mechanism is phenotypic plasticity, which is the ability of a single genotype to produce alternate phenotypes in an environmentally dependent context. Here, we use digital organisms (self-replicating computer programs) to investigate how adaptive phenotypic plasticity alters evolutionary dynamics and influences evolutionary outcomes in cyclically changing environments. Specifically, we examined the evolutionary histories of both plastic populations and non-plastic populations to ask: (1) Does adaptive plasticity promote or constrain evolutionary change? (2) Are plastic populations better able to evolve and then maintain novel traits? And (3), how does adaptive plasticity affect the potential for maladaptive alleles to accumulate in evolving genomes? We find that populations with adaptive phenotypic plasticity undergo less evolutionary change than non-plastic populations, which must rely on genetic variation from de novo mutations to continuously readapt to environmental fluctuations. Indeed, the non-plastic populations undergo more frequent selective sweeps and accumulate many more genetic changes. We find that the repeated selective sweeps in non-plastic populations drive the loss of beneficial traits and accumulation of maladaptive alleles, whereas phenotypic plasticity can stabilize populations against environmental fluctuations. This stabilization allows plastic populations to more easily retain novel adaptive traits than their non-plastic counterparts. In general, the evolution of adaptive phenotypic plasticity shifted evolutionary dynamics to be more similar to that of populations evolving in a static environment than to non-plastic populations evolving in an identical fluctuating environment. All natural environments subject populations to some form of change; our findings suggest that the stabilizing effect of phenotypic plasticity plays an important role in subsequent adaptive evolution.

54 ENVIRONMENTAL SCIENCES↗