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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 19 records

Aluminum Boron Nitride Ferroelectric Field-Effect Transistors With ZnO Semiconductor Channel

The discovery of ferroelectricity in hafnium zirconium oxide (HfxZr 1−x O2) and related fluorite materials has spurred interest in ferroelectric devices suitable for integration with silicon integrated circuits (ICs), especially those that can be embedded in the back-end-of-line (BEOL) process. More recently, ferroelectricity has been found in wurtzite aluminum nitride-based materials, such as scandium and boron-doped aluminum nitride (Al 1−x ScxN and Al 1−x BxN). Although these materials currently have undesirably large coercive electric fields, and small breakdown electric field-to-coercive electric field ratio, their low processing temperatures and large remanent polarization offer intriguing possibilities for device applications. Furthermore, we report ferroelectric field-effect transistors (FeFETs) with a 15 nm thick Al0.88B0.12N layer and an 11 nm ZnO semiconductor channel, achieving a memory window >1 V and switching voltages ( V switch ) <±10 V.

42 ENGINEERING↗

Thin film design of amorphous hafnium oxide nanocomposites enabling strong interfacial resistive switching uniformity

A design concept of phase-separated amorphous nanocomposite thin films is presented that realizes interfacial resistive switching (RS) in hafnium-oxide-based devices. The films are formed by incorporating an average of 7% Ba into hafnium oxide during pulsed laser deposition at temperatures ≤400°C. The added Ba prevents the films from crystallizing and leads to ~20-nm-thin films consisting of an amorphous HfO x host matrix interspersed with ~2-nm-wide, ~5-to-10-nm-pitch Ba-rich amorphous nanocolumns penetrating approximately two-thirds through the films. This restricts the RS to an interfacial Schottky-like energy barrier whose magnitude is tuned by ionic migration under an applied electric field. Resulting devices achieve stable cycle-to-cycle, device-to-device, and sample-to-sample reproducibility with a measured switching endurance of ≥10 4 cycles for a memory window ≥10 at switching voltages of ±2 V. Each device can be set to multiple intermediate resistance states, which enables synaptic spike-timing–dependent plasticity. The presented concept unlocks additional design variables for RS devices.

36 MATERIALS SCIENCE↗

Manipulating the insulator–metal transition through tip-induced hydrogenation

Manipulating the insulator–metal transition in strongly correlated materials has attracted a broad range of research activity due to its promising applications in, for example, memories, electrochromic windows and optical modulators. Electric-field-controlled hydrogenation using ionic liquids and solid electrolytes is a useful strategy to obtain the insulator–metal transition with corresponding electron filling, but faces technical challenges for miniaturization due to the complicated device architecture. Here, in this work, we demonstrate reversible electric-field control of nanoscale hydrogenation into VO 2 with a tunable insulator–metal transition using a scanning probe. The Pt-coated probe serves as an efficient catalyst to split hydrogen molecules, while the positive-biased voltage accelerates hydrogen ions between the tip and sample surface to facilitate their incorporation, leading to non-volatile transformation from insulating VO 2 into conducting H x VO 2 . Remarkably, a negative-biased voltage triggers dehydrogenation to restore the insulating VO 2 . This work demonstrates a local and reversible electric-field-controlled insulator–metal transition through hydrogen evolution and presents a versatile pathway to exploit multiple functional devices at the nanoscale.

36 MATERIALS SCIENCE↗

Compact Ferroelectric Programmable Majority Gate for Compute-in-Memory Applications

In this study, a compact and novel ferroelectric (FE) programmable majority gate is proposed and its novel application in Binary Neural Network (BNNs) is investigated. We demonstrate: i) by integrating N metal-ferroelectric-metal (MFM) capacitors on the gate of a transistor (1T-N-MFM structure), a nonvolatile and programmable majority (MAJ) gate that performs MAJ of AND between the gate input and polarization is realized; ii) validation the functionality of our 3-input MAJ of AND gate through comprehensive theoretical and experimental investigations; iii) a compact implementation of 3-input MAJ of XNOR gate that leverages only five of our 3-input MAJ of AND gates connected in parallel; iv) application of MAJ of XNOR gates to replace the XNOR gates and the first layer of the adder tree in the BNNs for up to 21x area saving on top of eliminating the energy-hungry memory accesses due to the compute-in-memory nature.

97 MATHEMATICS AND COMPUTING↗

Two-tooth bosonic quantum comb for temporal-correlation sensing

We introduce a two-tooth bosonic quantum comb that captures the sequential interactions between a thermal absorber and a long-lived coherent probe. The comb provides a causal, multi-time description of coherence transport, tracking how the probe records both instantaneous fluctuations and their temporal correlations. Using a process-tensor formulation, we derive closed form expressions showing that interference between the two interaction windows generates a non-monotonic memory response that reflects a fundamental competition between the absorbers thermal population and its dynamical correlations. By sweeping the temporal separation between the interaction windows, the probe directly samples the absorbers population correlator, enabling bosonic noise spectroscopy that discriminates Markovian temperature noise from slow or spectrally structured fluctuations. The approach is readily compatible with circuit-QED platforms and offers a general method for probing fluctuating bosonic environments.

Zhu, Shaojiang [Fermilab]↗

Variational data augmentation for a learning-based granular predictive model of power outages

As the trend in climate change continues, extreme weather events are expected to occur with increasing frequency and severity and pose a significant threat to the electric power infrastructure. Regardless of the efforts a utility puts towards hardening the grid, storm-induced damage to the utility assets such as cables and distributed energy resources (DERs) that are particularly vulnerable to such events is unavoidable. Access to a highly granular, in space and time, outage forecasting tool with long lead times (i.e., days ahead) will enhance the efficiency of service restoration efforts. Here, in this study, we propose to develop and implement a multi-model framework as an operational tool based on a granular and multi-day outage forecasting model using operational numerical weather prediction model forecasts and detailed component outage information. An innovative two-layered recurrent neural network, i.e., a long-short-term-memory (LSTM)-based variational autoencoder (VAE) framework and a sliding window are used to address the uneven distribution of different types of weather events and make better use of the time-series data. Case studies are performed to demonstrate the performance of the new framework.

54 ENVIRONMENTAL SCIENCES↗

Dynamic Control of Sodium Cold Trap Purification Temperature Using LSTM System Identification

This study investigates the dynamic regulation of the sodium cold trap purification temperature at Argonne National Laboratory’s liquid sodium test facility, employing long short-term memory (LSTM) system identification techniques. The investigation introduces an innovative hybrid approach by integrating model predictive control (MPC) based on first principles dynamic models with a multi-step time–frequency LSTM model in predicting the temperature profiles of a sodium cold trap purification system. The long short-term memory–model predictive controller (LSTM-MPC) model employs a sliding window scheme to gather training samples for multi-step prediction, leveraging historical data to construct predictive models that capture the non-linearities of the complex system dynamics without explicitly modeling the underlying physical processes. The performance of the LSTM-MPC and MPC were evaluated through simulation experiments, where both models were assessed on their capacity to maintain the cold trap temperature within predefined set-points while minimizing deviations and overshoots. Results obtained show how the data-driven LSTM-MPC model demonstrates stability and adaptability. In contrast, the traditional MPC model exhibits irregularities, particularly evident as overshoots around set-point limits, which can potentially compromise its effectiveness over long prediction time intervals. The findings obtained offer valuable insights into integrating data-driven techniques for enhancing real-time monitoring systems.

LSTM-MPC↗

Modeling injection-induced fault slip using long short-term memory networks

Stress changes due to changes in fluid pressure and temperature in a faulted formation may lead to the opening/shearing of the fault. This can be due to subsurface (geo)engineering activities such as fluid injections and geologic disposal of nuclear waste. Such activities are expected to rise in the future making it necessary to assess their short- and long-term safety. Here, a new machine learning (ML) approach to model pore pressure and fault displacements in response to high-pressure fluid injection cycles is developed. The focus is on fault behavior near the injection borehole. To capture the temporal dependencies in the data, long short-term memory (LSTM) networks are utilized. To prevent error accumulation within the forecast window, four critical measures to train a robust LSTM model for predicting fault response are highlighted: (i) setting an appropriate value of LSTM lag, (ii) calibrating the LSTM cell dimension, (iii) learning rate reduction during weight optimization, and (iv) not adopting an independent injection cycle as a validation set. Several numerical experiments were conducted, which demonstrated that the ML model can capture peaks in pressure and associated fault displacement that accompany an increase in fluid injection. The model also captured the decay in pressure and displacement during the injection shut-in period. Further, the ability of an ML model to highlight key changes in fault hydromechanical activation processes was investigated, which shows that ML can be used to monitor risk of fault activation and leakage during high pressure fluid injections.

58 GEOSCIENCES↗

Accessible Content Optimization for Research Needs (ACORN)

ACORN employs a set of automated processes for informing and/or enforcing defined content schemas to create standardized and highly structured data. Because of its standardized data source, ACORN easily applies computer automation to generate communication assets such as PDFs, Powerpoint presentations, and web pages. Built using the memory-safe Rust programming language, ACORN is portable and accessible for use on any Windows, Mac, or Linux machine.

Wohlgemuth, JasonHoward [Oak Ridge National Labora↗

Molecules to Masterpieces: Bridging Materials Science and the Arts

Art and materials innovation have always been intertwined, dating back to the earliest human creations. In modern times, however, the increasing specialization of materials science often restricts artists' access to cutting-edge materials. Here, the materials science aspects of an art-science collaboration between artist Kimsooja and the Wiesner Lab at Cornell University, are detailed. The project involves the development of a custom-made iridescent block copolymer coating by means of self-assembly, originally applied to transparent window panels of a façade for the ≈14 m tall art installation: A Needle Woman: Galaxy Is a Memory, Earth is a Souvenir by artist Kimsooja. After several exhibitions in the US and Europe, the installation is now part of the permanent museum collection at Yorkshire Sculpture Park in Wakefield, UK. Full characterization of the solution blade-cast coatings show shear aligned, standing up lamellar morphologies that behave as volume-phase gratings with periodicities between 300 and 400 nm. Coatings are also applied to foldable (origami) paper and converted into iridescent porous ceramic materials. Furthermore, it is hoped this work inspires and informs communities across materials science, the arts, and architecture.

Architectural nanomaterials↗

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗

Amorphous Indium Oxide Channel FEFETs With Write Voltage of 0.9 V and Endurance >10 12 for Refresh-Free Embedded Memory

This work presents, for the first time, a back-end-of-the-line (BEOL)-compatible W-doped indium oxide (IWO) ferroelectric field-effect transistor (FEFET) with a record-low operating voltage below 0.9 V and a write speed of 20 ns while achieving a transient read current window (CW) ratio ( I LVT /I HVT ) greater than 10 4 . The device also exhibits exceptional reliability characteristics such as: 1) measured bipolar write endurance up to 10 12 cycles; 2) a fast read speed of 50 ns; 3) read endurance surpassing 10 12 cycles; and 4) retention exceeding 10 4 s at 85 ∘ C. Furthermore, a physics-based numerical model has been developed to investigate the nanoscale characteristics of BEOL FEFET devices, leveraging nucleation-limited switching in HfO 2 ferroelectrics and dc characterization to extract material and channel parameters for accurate device simulation. The simulation uncovers the stochastic switching behavior of BEOL amorphous oxide semiconductor (AOS) FEFETs and demonstrates an intrinsic switching time as low as 1 ps, highlighting the potential of BEOL AOS FEFETs for ultrafast memory applications. These results establish AOS FEFETs as a compelling candidate for high-density embedded memory applications for last-level cache (LLC) (L4) in advanced CMOS technology nodes.

1-V ferroelectric field-effect transistor (FEFET)↗

Accelerating cavity fault prediction using deep learning at Jefferson Laboratory

Abstract Accelerating cavities are an integral part of the continuous electron beam accelerator facility (CEBAF) at Jefferson Laboratory. When any of the over 400 cavities in CEBAF experiences a fault, it disrupts beam delivery to experimental user halls. In this study, we propose the use of a deep learning model to predict slowly developing cavity faults. By utilizing pre-fault signals, we train a long short-term memory-convolutional neural network binary classifier to distinguish between radio-frequency (RF) signals during normal operation and RF signals indicative of impending faults. We optimize the model by adjusting the fault confidence threshold and implementing a multiple consecutive window criterion to identify fault events, ensuring a low false positive rate. Results obtained from analysis of a real dataset collected from the accelerating cavities simulating a deployed scenario demonstrate the model’s ability to identify normal signals with 99.99% accuracy and correctly predict 80% of slowly developing faults. Notably, these achievements were achieved in the context of a highly imbalanced dataset, and fault predictions were made several hundred milliseconds before the onset of the fault. Anticipating faults enables preemptive measures to improve operational efficiency by preventing or mitigating their occurrence.

43 PARTICLE ACCELERATORS↗

High Performance Adaptive Physics Refinement to Enable Large-Scale Tracking of Cancer Cell Trajectory

The ability to track simulated cancer cells through the circulatory system, important for developing a mechanistic understanding of metastatic spread, pushes the limits of today's supercomputers by requiring the simulation of large fluid volumes at cellular-scale resolution. To overcome this challenge, we introduce a new adaptive physics refinement (APR) method that captures cellular-scale interaction across large domains and leverages a hybrid CPU-GPU approach to maximize performance. Through algorithmic advances that integrate multi-physics and multi-resolution models, we establish a finely resolved window with explicitly modeled cells coupled to a coarsely resolved bulk fluid domain. In this work we present multiple validations of the APR framework by comparing against fully resolved fluid-structure interaction methods and employ techniques, such as latency hiding and maximizing memory bandwidth, to effectively utilize heterogeneous node architectures. Collectively, these computational developments and performance optimizations provide a robust and scalable framework to enable system-level simulations of cancer cell transport.

59 BASIC BIOLOGICAL SCIENCES↗

Power generation forecasting for solar plants based on Dynamic Bayesian networks by fusing multi-source information

A Dynamic Bayesian network (DBN) model for solar power generation forecasting in solar plants is proposed in this paper. The key idea is to fuse sensor data, operational indicators, meteorological data, lagged output power information, and model errors for more accurate short-term (e.g., hours) and mid-term (e.g., days to weeks) power generation forecasting. The proposed DBN augments automated data-driven structure learning with expert knowledge encoding using continuous and categorical data given constraints to represent causal relationships within a solar inverter system. Additionally, an error compensation mechanism is proposed to capture temporal fluctuation. The effectiveness of the DBN on solar power generation forecasting was evaluated by rolling window analysis with one-year testing data collected from a local solar plant. The proposed DBN is compared with four state-of-art methods including support-vector regression (SVR), k-nearest neighbors (kNN), artificial neural network (ANN), and long short-term memory (LSTM) models. The result show that the proposed DBN achieves better accuracy in general, and it is not as data-hungry as some neural network-based models. The proposed DBN is also shown to have robust and consistent forecasting power with different forecasting horizons. The accuracy is 92% - 95% from one hour to one week ahead forecasting.

14 SOLAR ENERGY↗

LPBF Processability of NiTiHf Alloys: Systematic Modeling and Single-Track Studies

Research into the processability of NiTiHf high-temperature shape memory alloys (HTSMAs) via laser powder bed fusion (LPBF) is limited; nevertheless, these alloys show promise for applications in extreme environments. This study aims to address this limitation by investigating the printability of four NiTiHf alloys with varying Hf content (1, 2, 15, and 20 at. %) to assess their suitability for LPBF applications. Solidification cracking is one of the main limiting factors in LPBF processes, which occurs during the final stage of solidification. To investigate the effect of alloy composition on printability, this study focuses on this defect via a combination of computational modeling and experimental validation. To this end, solidification cracking susceptibility is calculated as Kou’s index and Scheil–Gulliver model, implemented in Thermo-Calc/2022a software. An innovative powder-free experimental method through laser remelting was conducted on bare NiTiHf ingots to validate the parameter impacts of the LPBF process. The result is the processability window with no cracking likelihood under diverse LPBF conditions, including laser power and scan speed. This comprehensive investigation enhances our understanding of the processability challenges and opportunities for NiTiHf HTSMAs in advanced engineering applications.

36 MATERIALS SCIENCE↗

The Tiny Median Filter: A Small Size, Flexible Arbitrary Percentile Finder Scheme Suitable for FPGA Implementation

This document reports the design, implementation and testing of a small silicon resource usage, very flexible arbitrary percentile finding scheme called the Tiny Median Filter. It can be used not only as a median filter in image processing with square filtering windows, but also for applications of any percentile filter or maximum or minimum finder with any size of data set as long as the number of bits of the data is finite. It opens possibilities for image processing tasks with non-square or irregular filter windows. In this scheme, data swapping or data bit manipulating are avoided and high functional efficiency of the logic components is applied to save silicon resources. Some logic functions are absorbed into other functions to further reduce the complexity. The combinational logic paths are designed to be sufficiently short so that the firmware can be compiled to the maximum operating frequency allowed by the block memories of the FPGA devices. The Tiny Median Filter receives, processes and output data in non-stop manner with no irregular timing which helps to simplify design of surrounding stages.

Wu, Jinyuan [Fermilab] (ORCID:0000000344329521)↗