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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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NASA NTRS2004

Assessment of High-Voltage Photovoltaic Technologies for the Design of a Direct Drive Hall Effect Thruster Solar Array

A three-year program to develop a Direct Drive Hall-Effect Thruster system (D2HET) begun in 2001 as part of the NASA Advanced Cross-Enterprise Technology Development initiative. The system, which is expected to reduce significantly the power processing, complexity, weight, and cost over conventional low-voltage systems, will employ solar arrays that operate at voltages higher than (or equal to) 300 V. The lessons learned from the development of the technology also promise to become a stepping-stone for the production of the next generation of power systems employing high voltage solar arrays. This paper summarizes the results from experiments conducted mainly at the NASA Marshal Space Flight Center with two main solar array technologies. The experiments focused on electron collection and arcing studies, when the solar cells operated at high voltages. The tests utilized small coupons representative of each solar array technology. A hollow cathode was used to emulate parts of the induced environment on the solar arrays, mostly the low-energy charge-exchange plasma (1012-1013 m-3 and 0.5-1 eV). Results and conclusions from modeling of electron collection are also summarized. The observations from the total effort are used to propose a preliminary, new solar array design for 2 kW and 30-40 kW class, deep space missions that may employ a single or a cluster of Hall- Effect thrusters.

Mikellides, I. G.↗

DOE OSTI2024

Super Resolving Unrolled Neural Networks for Remote Sensing

In remote sensing systems, the capabilities of the system are constrained by the complex interactions between size, weight, and power (SWAP) of potential designs. In electro-optical (EO) systems, examples of these critical parameters include the system’s sensitivity and resolution. Those parameters can be increased by ever larger optical apertures and focal planes but at the cost of more SWAP. Multi-image super resolution (MISR) techniques allow resolution to be enhanced via computation rather than more sophisticated optical hardware. These algorithms combine multiple images together into a single, higher resolution image, trading temporal resolution and computation for spatial resolution. Fielded MISR techniques, such as Drizzle, can require several hundred images to create a single super resolved image, implying reduced temporal resolution, increased data acquisition load, and limiting mission applications. Iterative techniques, such as model-based image reconstruction and compressive sensing, have been shown to create super resolved images using fewer images than Drizzle. They do this by posing an optimization problem that balances accuracy between a highly accurate physical model and an image model. In the case of super resolution, the physical model is defined by the relation between low resolution input images and the desired high resolution output image. The image model encodes some assumptions about the super resolved image. These assumptions are meant to suppress reconstruction artifacts that arise due to deterministic physical model error, stochastic measurement noise, and potential undersampling. In practice, the performance of iterative methods are limited by imaging models compatible with optimization. Deep learning-based methods can effectively learn image models of arbitrary complexity, but lack the theoretical explainability and robustness of iterative techniques. Consensus equilibrium (CE) generalizes the iterative techniques beyond optimization, enabling blackbox algorithms such as traditional and neural image denoisers to be used as the image model. CE-based approaches retain much of the explainability and robustness of iterative techniques while allowing the expressiveness of machine learning image models to be used. Additionally, by unrolling iterations of CE with an embedded image denoiser, the image denoiser can be further trained and specialized to the specific application with potentially higher quality reconstructions. Under this project, we demonstrated the feasibility of training an unrolled neural network based upon CE. While we didn’t train one, we showed that the CE process is differentiable and its gradient can be tractably computed. We also explored the usage of a variants of CE akin to generative neural works. Most importantly, we applied the CE framework to a number of problems including non-blind deconvolution, upsampling, single-image super resolution, MISR, event-based sensing, and saturated deconvolution. Our MISR prototype creates high quality reconstructions with an order of magnitude fewer images than previous approaches and, critically, produces these reconstructions fast enough for practical usage.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Attention-based functional-group coarse-graining: a deep learning framework for molecular prediction and design

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML training. In this study, we report a data-efficient, deep-learning framework for molecular discovery that integrates a coarse-grained functional-group representation with a self-attention mechanism to capture intricate chemical interactions. Our approach exploits group-contribution concepts to create a graph-based intermediate representation of molecules, serving as a low-dimensional embedding that substantially reduces the data demands typically required for training. Using a self-attention mechanism to learn the subtle but highly relevant chemical context of functional groups, the method proposed here consistently outperforms existing approaches for predictions of multiple thermophysical properties. In a case study focused on adhesive polymer monomers, we train on a limited dataset comprising only 6,000 unlabeled and 600 labeled monomers. The resulting chemistry prediction model achieves over 92% accuracy in forecasting properties directly from SMILES strings, exceeding the performance of current state-of-the-art techniques. Furthermore, the latent molecular embedding is invertible, enabling the design pipeline to automatically generate new monomers from the learned chemical subspace. We illustrate this functionality by targeting several properties, including high and low glass transition temperatures (Tg), and demonstrate that our model can identify new candidates with values that surpass those in the training set. The ease with which the proposed framework navigates both chemical diversity and data scarcity offers a promising route to accelerate and broaden the search for functional materials.

Han, Ming [Univ. of Chicago, IL (United States)]↗

DOE OSTI2026

Extreme Temperature Cryptography Based On Nitrogen-Incorporated Ultrananocrystalline Diamond

Physical entropy sources that remain stable under extreme temperatures are essential for cryptography in emerging technological frontiers in deep space exploration, geothermal energy harvesting, and nuclear energy. However, conventional semiconductor platforms fail to generate stable and reliable cryptographic keys above 200 degrees C due to performance degradation. Here, we report a diamond-based cryptographic primitive that exploits the defect-rich sp 2 -bonded grain boundary network in nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) film as a robust entropy source to generate cryptographic keys that remain operationally stable even after enduring extreme temperatures of 700 degrees C for 54 h while also surviving thermal cycling between room temperature and 700 degrees C for 48 h. The strength of the generated keys is assessed through several cryptographic metrics such as bit uniformity, entropy, hamming distances, and correlation coefficients, all of which are found to be near their respective ideal values. Moreover, the generated keys pass the NIST SP 800 and SP 800-90B tests and are also resilient to supply bias variations and a regression-based machine learning attack model based on the Fourier series. The robustness of the keys is attributed to the better thermal stability and chemical inertness of the n-UNCD film. This is supported by high-resolution energy-dispersive X-ray spectroscopy (EDS), which shows no significant lateral diffusion of metal atoms into the n-UNCD layer, and by Raman spectroscopy, which reveals no significant changes in the bonding configuration of the n-UNCD structure. Our findings highlight the remarkable potential of n-UNCD film for extreme environment cryptography by expanding the operational limits of conventional hardware security platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Uncertainty-aware particle segmentation for electron microscopy at varied length scales

Electron microscopy is indispensable for examining the morphology and composition of solid materials at the sub-micron scale. To study the powder samples that are widely used in materials development, scanning electron microscopes (SEMs) are increasingly used at the laboratory scale to generate large datasets with hundreds of images. Parsing these images to identify distinct particles and determine their morphology requires careful analysis, and automating this process remains challenging. In this work, we enhance the Mask R-CNN architecture to develop a method for automated segmentation of particles in SEM images. We address several challenges inherent to measurements, such as image blur and particle agglomeration. Moreover, our method accounts for prediction uncertainty when such issues prevent accurate segmentation of a particle. Recognizing that disparate length scales are often present in large datasets, we use this framework to create two models that are separately trained to handle images obtained at low or high magnification. By testing these models on a variety of inorganic samples, our approach to particle segmentation surpasses an established automated segmentation method and yields comparable results to the predictions of three domain experts, revealing comparable accuracy while requiring a fraction of the time. These findings highlight the potential of deep learning in advancing autonomous workflows for materials characterization.

36 MATERIALS SCIENCE↗

NASA NTRS2011

The Habitat Demonstration Unit Project: A Modular Instrumentation System for a Deep Space Habitat

NASA is focused on developing human exploration capabilities in low Earth orbit (LEO), expanding to near Earth asteroids (NEA), and finally to Mars. Habitation is a crucial aspect of human exploration, and a current focus of NASA activities. The Habitation Demonstration Unit (HDU) is a project focused on developing an autonomous habitation system that enables human exploration of space by providing engineers and scientists with a test bed to develop, integrate, test, and evaluate habitation systems. A critical feature of the HDU is the instrumentation system, which monitors key subsystems within the habitat. The following paper will discuss the HDU instrumentation system performance and lessons learned during the 2010 Desert Research and Technology Studies (D-RaTS). In addition, this paper will discuss the evolution of the instrumentation system to support the 2011 Deep Space Habitat configuration, the challenges, and the lessons learned of implementing this configuration. In 2010, the HDU was implemented as a pressurized excursion module (PEM) and was tested at NASA s D-RaTS in Arizona [1]. For this initial configuration, the instrumentation system design used features that were successful in previous habitat instrumentation projects, while also considering challenges, and implementing lessons learned [2]. The main feature of the PEM instrumentation system was the use of a standards-based wireless sensor node (WSN), implementing an IEEE 802.15.4 protocol. Many of the instruments were connected to several WSNs, which wirelessly transmitted data to the command and data handling system via a mesh network. The PEM instrumentation system monitored the HDU during field tests at D-RaTS, and the WSN data was later analyzed to understand the performance of this system. In addition, several lessons learned were gained from the field test experience, which fed into the instrumentation design of the next generation of the HDU.

Rojdev, Kristina↗

NASA NTRSDate not supplied

The Gateway as a Building Block for Space Exploration and Development

The Gateway, which will be a small, human-tended space station in orbit around the Moon, is an example of the building block approach to space exploration and development. The National Aeronautics and Space Administration (NASA) leads the Gateway Program and serves as the integrator of the spaceflight capabilities and contributions of U.S. commercial partners and international partners. Gateway is a cornerstone of deep space human exploration, one critical element of the strategies and architectures that will enable human exploration of the solar system. This paper will outline: 1) The concept of operations and describe how Gateway is a multipurpose space station, supporting lunar surface missions, cis-lunar research, and as a proving ground for human missions to Mars; 2) Gateway’s international partnerships as an expansion of the partnerships of the “second generation of space programmes,” namely the International Space Station (ISS); and 3) Future commercial, scientific, and technology demonstration opportunities that this infrastructure building block provides. Lastly, the strategies and architectures for future space exploration and development must include thoughtful approaches to the management and business operations of government space programs. This includes planning for limited outyear growth in budgets, partnership and acquisition strategies, pursuing public-private partnerships and the use of firm-fixed price contracts, enabling vendor-to-vendor relationships, the use of multilateral interoperability standards, and incorporating key lessons learned from prior governmental Programs. This paper will discuss the strategies and approaches undertaken when establishing the Gateway Program at the NASA Johnson Space Center in 2019 and the current operational status of this new, lean, and efficient Program.

Gateway↗

DOE OSTI2025

Enhancing Unknown Waveform Detection by Learning Intra and Inter-domain Dependencies with Advanced Attention Fusion Mechanisms

Detection of unknown waveforms in mission-critical communications is a crucial area of interest for the Department of Energy (DoE). Traditional methods and recent deep learning-based approaches often assume that the training set includes all possible classes, which is impractical for detecting new waveforms. This limitation gives rise to the problem of open-set recognition (OSR), which involves correctly identifying known classes while detecting and rejecting unknown or unseen classes. To address this limitation, we propose a novel dual-domain complex-valued neural architecture that jointly processes time-domain and frequency-domain signal representations using transformer mechanisms. A transformer model is a deep learning architecture that uses self-attention mechanisms to process and learn relationships in sequential data. Our model employs a cosine similarity loss to extract domain-specific features and incorporates a transformer architecture in the latent space to weigh the importance of different features from the time and frequency domains. The transformer layer includes stacked self-attention and cross-attention modules to learn intra-domain and inter-domain dependencies, creating a more holistic signal representation. An attention-based fusion module intelligently combines the time and frequency-domain features using multi-head attention, enabling the network to learn the optimal feature for each domain in each input signal. Quantitative results demonstrate the impact of these architectural choices on overall performance, showing significant improvement after incorporating self and cross-attention modules and using complex attention fusion over simple weighted fusion. Our ongoing work will focus on addressing the limitations of threshold-based OSR methods by developing a novel generative framework that integrates a conditional diffusion probabilistic model (DPM). DPM is a generative framework that learns to synthesize complex data by reversing a gradual noising process using a neural network trained to denoise step-by-step. Our goal is to leverage the inherent strengths of DPMs for identifying unknown signals more robustly. One primary advantage of using a DPM is its ability to provide a more reliable anomaly score based on the model's reconstruction error, rather than relying solely on classifier confidence. Additionally, the iterative denoising process of DPMs makes this approach naturally resilient to low Signal-to-Noise Ratio (SNR) conditions, where traditional methods often fail. By implementing this generative framework, we aim to enhance the model's capability to accurately detect unknown waveforms and maintain performance in challenging environments.

99 - GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

The Gateway as a Building Block for Space Exploration and Development

The Gateway, which will be a small, human-tended space station in orbit around the Moon, is an example of the building block approach to space exploration and development. The National Aeronautics and Space Administration (NASA) leads the Gateway Program and serves as the integrator of the spaceflight capabilities and contributions of U.S. commercial partners and international partners. Gateway is a cornerstone of deep space human exploration, one critical element of the strategies and architectures that will enable human exploration of the solar system. This paper will outline: 1) The concept of operations and describe how Gateway is a multi-purpose space station, supporting lunar surface missions, cis-lunar research, and as a proving ground for human missions to Mars; 2) Gateway’s international partnerships as an expansion of the partnerships of the “second generation of space programmes,” namely the International Space Station (ISS); and 3) Future commercial, scientific, and technology demonstration opportunities that this infrastructure building block provides. Lastly, the strategies and architectures for future space exploration and development must include thoughtful approaches to the management and business operations of government space programs. This includes planning for limited outyear growth in budgets, partnership and acquisition strategies, pursuing public-private partnerships and the use of firm-fixed price contracts, enabling vendor-to-vendor relationships, the use of multilateral interoperability standards, and incorporating key lessons learned from prior governmental Programs. This paper will discuss the strategies and approaches undertaken when establishing the Gateway Program at the NASA Johnson Space Center in 2019 and the current operational status of this new, lean, and efficient Program.

Gateway↗

DOE OSTI2024

Physics and chemistry from parsimonious representations: image analysis via invariant variational autoencoders

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine learning methods for discovery of physical and chemical phenomena from the data, such as manifestations of symmetry breaking phenomena in electron and scanning tunneling microscopy images, or variability of the nanoparticles. Variational autoencoders (VAEs) are emerging as a powerful paradigm for the unsupervised data analysis, allowing to disentangle the factors of variability and discover optimal parsimonious representation. Here, we summarize recent developments in VAEs, covering the basic principles and intuition behind the VAEs. The invariant VAEs are introduced as an approach to accommodate scale and translation invariances present in imaging data and separate known factors of variations from the ones to be discovered. We further describe the opportunities enabled by the control over VAE architecture, including conditional, semi-supervised, and joint VAEs. Several case studies of VAE applications for toy models and experimental datasets in Scanning Transmission Electron Microscopy are discussed, emphasizing the deep connection between VAE and basic physical principles. Python codes and datasets discussed in this article are available at https://github.com/saimani5/VAE-tutorials and can be used by researchers as an application guide when applying these to their own datasets.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Inverse mapping of properties to composition through generative modeling for designing molten salts

Generative modeling (GM) has been increasingly used for the inverse design and optimization of materials, yet its application to molten salt mixtures remains unexplored despite how a successful approach to the inverse design of molten salts would contribute to efficiently exploiting their customizability and unlocking their advantages in applications, such as energy production and energy storage. This work presents a workflow for the inverse design of molten salts with targeted density values, addressing the challenge of representing these complex mixtures in GM. A dataset of critically evaluated molten salt densities is used to train a variational autoencoder coupled with a predictive deep neural network, which then can be used to generate new molten salt compositions with desired density values. The effectiveness of the approach is demonstrated by designing mixtures with distinct densities and validating the predicted values using ab initio molecular dynamics simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Sub-millisecond keyhole pore detection in laser powder bed fusion using sound and light sensors and machine learning

Laser powder bed fusion is a mainstream additive manufacturing technology widely used to manufacture complex parts in prominent sectors, including aerospace, biomedical, and automotive industries. However, during the printing process, the presence of an unstable vapor depression can lead to a type of defect called keyhole porosity, which is detrimental to the part quality. In this study, we developed an effective approach to locally detect the generation of keyhole pores during the printing process by leveraging machine learning and a suite of optical and acoustic sensors. Simultaneous synchrotron x-ray imaging allows the direct visualization of pore generation events inside the sample, offering high-fidelity ground truth. A neural network model adopting SqueezeNet architecture using single-sensor data was developed to evaluate the fidelity of each sensor for capturing keyhole pore generation events. Our comparative study shows that the near infrared images gave the highest prediction accuracy, followed by 100 kHz and 20 kHz microphones, and the photodiode sensitive to processing laser wavelength had the lowest accuracy. Using a single sensor, over 90% prediction accuracy can be achieved with a temporal resolution as short as 0.1 ms. A data fusion scheme was also developed with features extracted using SqueezeNet neural network architecture and classification using different machine learning algorithms. Our work demonstrates the correlation between the characteristic optical and acoustic emissions and the keyhole oscillation behavior, and thereby provides strong physics support for the machine learning approach.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

SWIPE: Spectral Water Inversion Processor and Emulator

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will be discussing the progress made developing SWIPE: Spectral Water Inversion Processor and Emulator. SWIPE is a platform for advanced modeling of coastal and inland aquatic habitats. The goal is create a comprehensive and cohesive system to leverage recent advancements in computation and machine learning to develop a synthetic training ground for sensitivity studies and algorithm development. The four principal facets of SWIPE include: 1. Advanced two-layer coated sphere bio-optical modeling and GPU radiative transfer modeling, 2. Big Data involving massive synthetic spectral libraries of optical properties of various global aquatic particles, surface reflectance, and top-of-atmosphere reflectance, all at hyperspectral resolution leveraging high-end computing systems at NASA Ames Research Center, 3. Deep Learning for algorithm development for water quality inversion of concentrations of common biogeophysical variables as well as optics, full uncertainty characterization by water type, and forward emulation, and lastly, 4. Image Processing for application of developed retrieval algorithms for both hyperspectral and multispectral sensors with experimental corrections for global adjacency, noise, sunglint, and benthic reflectance. This presentation will demonstrate the Equivalent Algal Populations (EAP) two-layer coated sphere scattering model which has been used develop spectral libraries of hyperspectral inherent optical properties of roughly 80 species of phytoplankton, covering 15 different classes and nine taxonomic functional types. The EAP model was also used to derive spectral properties of 10 different non-algal particle functional types. Examples of how the SMART-G (Speed-up Monte-carlo Advanced Radiative Transfer using GPU) radiative transfer code is used to model optically complex aquatic signals will be presented and discussed in the context of creating a massive synthetic database which can leverage the full power of next generation machine learning techniques and high end computing for water quality inversion. We will discuss our active investigation in things like appropriate model architectures, dimensionality reduction techniques such as PCA and autoencoders, uncertainty quantification and abstaining, and which variables actually benefit most from hyperspectral information versus multispectral resolution. We are also curious about questions relating to cost/benefit analysis in terms of computation resources, neural network complexity, and data volumes. Answers to these questions will hopefully elaborate on cost efficiency for potential future sensor design considerations.

SWIPE↗

NASA NTRS1996

Experiences in Interagency and International Interfaces for Mission Support

The Flight Dynamics Division (FDD) of the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GFSC) provides extensive support and products for Space Shuttle missions, expendable launch vehicle launches, and routine on-orbit operations for a variety of spacecraft. A major challenge in providing support for these missions is defining and generating the products required for mission support and developing the method by which these products are exchanged between supporting agencies. As interagency and international cooperation has increased in the space community, the FDD customer base has grown and with it the number and variety of external interfaces and product definitions. Currently, the FDD has working interfaces with the NASA Space and Ground Networks, the Johnson Space Center, the White Sands Complex, the Jet propulsion Laboratory (including the Deep Space Network), the United States Air Force, the Centre National d'Etudes Spatiales, the German Spaceflight Operations Center, the European Space Agency, and the National Space Development Agency of Japan. With the increasing spectrum of possible data product definitions and delivery methods, the FDD is using its extensive interagency experience to improve its support of established customers and to provide leadership in adapting/developing new interfaces. This paper describes the evolution of the interfaces between the FDD and its customers, discusses many of the joint activities ith these customers, and summarizes key lessons learned that can be applied to current and future support.

Dell, G. T.↗

NASA NTRS2018

ISS Training Best Practices and Lessons Learned

Training our crew members for long-duration Deep Space Transport (DST) missions will have to be qualitatively and quantitatively different from current training practices. However, there is much to be learned from the extensive experience NASA has gained in training crew members for missions on board the International Space Station (ISS). Furthermore, the operational experience on board the ISS provides valuable feedback concerning training effectiveness. Keeping in mind the vast differences between current ISS crew training and training for DST missions, the needs of future crew members, and the demands of future missions, this ongoing study seeks to document current training practices and lessons learned. The goal of the study is to provide input to the design of future crew training that takes as much advantage as possible of what has already been learned and avoids as much as possible past inefficiencies. Results from this study will be presented upon its completion. By researching established training principles, examining future needs, and by using current practices in spaceflight training as test beds, this research project is mitigating program risks and generating templates and requirements to meet future training needs.

training↗

NASA NTRS1998

Integration of the Remote Agent for the NASA Deep Space One Autonomy Experiment

This paper describes the integration of the Remote Agent (RA), a spacecraft autonomy system which is scheduled to control the Deep Space 1 spacecraft during a flight experiment in 1999. The RA is a reusable, model-based autonomy system that is quite different from software typically used to control an aerospace system. We describe the integration challenges we faced, how we addressed them, and the lessons learned. We focus on those aspects of integrating the RA that were either easier or more difficult than integrating a more traditional large software application because the RA is a model-based autonomous system. A number of characteristics of the RA made integration process easier. One example is the model-based nature of RA. Since the RA is model-based, most of its behavior is not hard coded into procedural program code. Instead, engineers specify high level models of the spacecraft's components from which the Remote Agent automatically derives correct system-wide behavior on the fly. This high level, modular, and declarative software description allowed some interfaces between RA components and between RA and the flight software to be automatically generated and tested for completeness against the Remote Agent's models. In addition, the Remote Agent's model-based diagnosis system automatically diagnoses when the RA models are not consistent with the behavior of the spacecraft. In flight, this feature is used to diagnose failures in the spacecraft hardware. During integration, it proved valuable in finding problems in the spacecraft simulator or flight software. In addition, when modifications are made to the spacecraft hardware or flight software, the RA models are easily changed because they only capture a description of the spacecraft. one does not have to maintain procedural code that implements the correct behavior for every expected situation. On the other hand, several features of the RA made it more difficult to integrate than typical flight software. For example, the definition of correct behavior is more difficult to specify for a system that is expected to reason about and flexibly react to its environment than for a traditional flight software system. Consequently, whenever a change is made to the RA it is more time consuming to determine if the resulting behavior is correct. We conclude the paper with a discussion of future work on the Remote Agent as well as recommendations to ease integration of similar autonomy projects.

Dorais, Gregory A.↗

DOE OSTI2026

Phase Synergy Enables Low‐Power Ferroelectric Switching in HfO 2 Epitaxial Films

HfO 2 -based ferroelectric materials have emerged as leading candidates for next-generation non-volatile memory technologies, owing to their nanoscale robust ferroelectricity and complementary metal–oxide–semiconductor (CMOS) compatibility. However, challenges and debates persist in advancing and comprehensively understanding their ferroelectric behavior. In particular, conventional approaches typically regard non-ferroelectric phases as detrimental and primarily focus on suppressing their formation, yet overlooking their potentially synergistic contributions—particularly those of the tetragonal (T) phase. Here, we unambiguously clarify the beneficial role of the T-phase and introduce a phase-boundary engineering strategy that deliberately harnesses it to enhance ferroelectricity in HfO 2 films. By stabilizing optimal coherent boundaries between ferroelectric orthorhombic (O) and T phases in epitaxial La-doped HfO 2 films, we achieve significant improvements in ferroelectric properties—doubling the remanent polarization (P r ∼ 30 µC/cm 2 ) and substantially reducing the coercive field (E c ∼ 3 MV/cm) by 30% compared to low-La doped samples without such boundaries. Atomic-scale electron microscopy reveals the structural nature of the atomically sharp, coherent O–T boundaries. Combined with deep-learning enhanced molecular dynamics simulations, our results unravel that these boundaries facilitate intermediate polarization states that lower the switching energy barrier. Consequently, phase coexistence shifts from an inherent drawback to a tunable design element, offering a broadly applicable route to ultra-low-power HfO 2 -based nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Deep Learning-based Non-Stationary Bias Correction (NSBC)

This work develops the NSBC (non-stationary bias correction) methodology to correct temperature projection bias from E3SM. The NSBC deep learning framework consists of a three-part architecture: an auto-encoder for compressing the spatial information, an LSTM for predicting annual temperature mean, and a U-Net for capturing the residual bias in temperature. The non-stationary bias correction (NSBC) framework can correct the non-stationarity of the biases of the climate models, which significantly improves the accuracy of future temperature prediction and improves the overestimation of extreme high temperatures that many existing bias correction methods suffer from. Getting started 1. Obtain the historical climate simulation and observation data. The E3SM simulation data are available through https://aims2.llnl.gov/search/cmip6/. The pseudo observations, the Geophysical Fluid Dynamics Laboratory (GFDL)-ESM4 model (Krasting et al., 2018) are available through https://aims2.llnl.gov/search/cmip6/. The spatial resolution of E3SM and pseudo observation datasets are both regridded to a common 1° resolution grid using conservative interpolation. The regridded E3SM and pseudo observation with 1° resolution can be found throught ./data/. 2. Train the Auto-encoder model. Python 0-autoencoder.py 3. Train the LSTM Python 1-LSTM.py 4. Generate the annual mean temperature based on trained LSTM Python 2-generate_annual_mean_LSTM.py 5. Train the U-Net. Python 3-unet.py 6. Evaluation and compared with the baseline Python 4_evaluation.py Is there a deadline approaching that requires the release of yo

Lucas, Donald↗