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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 955 records · Page 53

Development of High-Performance Solar Cells for the Jupiter and Saturn Environments

Many of the mission targets that NASA and the planetary-science community are interested in are located in deep space, in the 5-10AU range. This provides compelling motivation to develop solar cells and arrays that are highly efficient in low irradiance low temperature (LILT) environments. We give several examples of the iterative process our team has employed to develop cell designs that optimize the performance at LILT. We also provide results on advanced-architecture devices that have already demonstrated very high efficiencies in the Jupiter and Saturn LILT and radiation environments, specifically four-junction inverted metamorphic and triple-junction upright metamorphic solar cells, respectively.

Boca, Andreea↗

Rapid, Comprehensive, Mission Architecting at the Jet Propolusion Laboratory

One of the first multi-disciplinary optimization challenges a mission concept faces is finding an initial system level architecture that simultaneously satisfies the constraints of cost, the requirements of science, and the capabilities of engineering. Compounding this challenge, especially in the early formulation of an architecture, is communicating amongst all key stakeholders, in this multidimensional space of constraints and requirements, where the current architecture is not yet adequately defined, or if it is defined, where it is broken. Recently, a factor of two improvement in the speed of development of the engineering architecture, while also comprehensively considering scientific performance and cost, has been achieved through a single screen visualization dashboard (“S-Chart”), a cost allocation tool, segment level analogy databases and parametric relationships for segment technical capabilities and their technical (Size, Weight, Power, and Data) and financial (Cost) capabilities and/or accommodation requirements.

Nash, Alfred E.↗

Exploration of superconducting multi-mode cavity architectures for quantum computing

Superconducting radio-frequency (SRF) cavities coupled to transmon circuits have proven to be a promising platform for building high-coherence quantum information processors. An essential aspect of this realization involves designing high quality factor three-dimensional superconducting cavities to extend the lifetime of quantum systems. To increase the computational capability of this architecture, we are exploring a multimode approach. This paper presents the design optimization process of a multi-cell SRF cavity to perform quantum computation based on an existing design developed in the scope of particle accelerator technology. We perform parametric electromagnetic simulations to evaluate and optimize the design. In particular, we focus on the analysis of the interaction between a nonlinear superconducting circuit known as the transmon and the cavity. This parametric design optimization is structured to serve as a blueprint for future studies on similar systems.

Reineri, Alessandro↗

Network Slicing for Federated Learning in Operational Technology Environment

Industrial Control Systems (ICS) and Supervisory Control and Data Acquisition (SCADA) environments are essential to modern infrastructure, facing challenges in ensuring low-latency, high-throughput communication while mitigating cyber threats. This paper presents a framework integrating Federated Learning (FL) and network slicing with Quality of Service (QoS) to enable real-time monitoring without disrupting OT operations. Leveraging digital twin technology and Network Function Virtualization (NFV), the architecture supports predictive analytics and Industry 4.0 requirements. FL facilitates decentralized model training, preserving data privacy and scalability, though it introduces potential throughput constraints. Network slicing addresses this by creating dedicated virtualized segments optimized for performance and security. Advanced fault tolerance at the container and instance levels enhances system reliability. The proposed architecture ensures high throughput, low latency, and secure orchestration for real-time anomaly detection in OT networks. Performance evaluations validate its efficiency in throughput, deployment, and learning accuracy, providing a robust foundation for future ICS automation and data-driven decision-making.

Delgado, Brian G. Rodiles [University of Texas at ↗

Optimal Renewable Resource Allocation and Load Scheduling of Resilient Communities

This paper presents a methodology for enhancing community resilience through optimal renewable resource allocation and load scheduling in order to minimize unserved load and thermal discomfort. The proposed control architecture distributes the computational effort and is easier to be scaled up than traditional centralized control. The decentralized control architecture consists of two layers: The community operator layer (COL) allocates the limited amount of renewable energy resource according to the power flexibility of each building. The building agent layer (BAL) addresses the optimal load scheduling problem for each building with the allowable load determined by the COL. Both layers are formulated as a model predictive control (MPC) based optimization. Simulation scenarios are designed to compare different combinations of building weighting methods and objective functions to provide guidance for real-world deployment by community and microgrid operators. The results indicate that the impact of power flexibility is more prominent than the weighting factor to the resource allocation process. Allocation based purely on occupancy status could lead to an increase of PV curtailment. Further, it is necessary for the building agent to have multi-objective optimization to minimize unserved load ratio and maximize comfort simultaneously.

model predictive control↗

CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences

We report the development and deployment of a coarse-graining method that is well suited for computer simulations of aggregation and phase separation of protein sequences with block-copolymeric architectures. Our algorithm, named CAMELOT for Coarse-grained simulations Aided by MachinE Learning Optimization and Training, leverages information from converged all atom simulations that is used to determine a suitable resolution and parameterize the coarse-grained model. To parameterize a system-specific coarse-grained model, we use a combination of Boltzmann inversion, non-linear regression, and a Gaussian process Bayesian optimization approach. The accuracy of the coarse-grained model is demonstrated through direct comparisons to results from all atom simulations. We demonstrate the utility of our coarse-graining approach using the block-copolymeric sequence from the exon 1 encoded sequence of the huntingtin protein. This sequence comprises of 17 residues from the N-terminal end of huntingtin (N17) followed by a polyglutamine (polyQ) tract. Simulations based on the CAMELOT approach are used to show that the adsorption and unfolding of the wild type N17 and its sequence variants on the surface of polyQ tracts engender a patchy colloid like architecture that promotes the formation of linear aggregates. These results provide a plausible explanation for experimental observations, which show that N17 accelerates the formation of linear aggregates in block-copolymeric N17-polyQ sequences. The CAMELOT approach is versatile and is generalizable for simulating the aggregation and phase behavior of a range of block-copolymeric protein sequences.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Power and Performance Trade-offs for Space Time Adaptive Processing

Computational efficiency – performance relative to power or energy – is one of the most important concerns when designing RADAR processing systems. This paper analyzes power and performance trade-offs for a typical Space Time Adaptive Processing (STAP) application. We study STAP implementations for CUDA and OpenMP on two computationally efficient architectures, Intel Haswell Core I7-4770TE and NVIDIA Kayla with a GK208 GPU. We analyze the power and performance of STAP’s computationally intensive kernels across the two hardware testbeds. We also show the impact and trade-offs of GPU optimization techniques. We show that data parallelism can be exploited for efficient implementation on the Haswell CPU architecture. The GPU architecture is able to process large size data sets without increase in power requirement. The use of shared memory has a significant impact on the power requirement for the GPU. A balance between the use of shared memory and main memory access leads to an improved performance in a typical STAP application.

Gawande, Nitin A.↗

On the Efficacy and High-Performance Implementation of Quaternion Matrix Multiplication

Quaternion symmetry is ubiquitous in the physical sciences. As such, much work has been afforded over the years to the development of efficient schemes to exploit this symmetry using real and complex linear algebra. Recent years have also seen many advances in the formal theoretical development of explicitly quaternion linear algebra with promising applications in image processing and machine learning. Despite these advances, there do not currently exist optimized software implementations of quaternion linear algebra. The leverage of optimized linear algebra software is crucial in the achievement of high levels of performance on modern computing architectures, and thus provides a central tool in the development of high-performance scientific software. In this work, a case will be made for the efficacy of high-performance quaternion linear algebra software for appropriate problems. In this pursuit, an optimized software implementation of quaternion matrix multiplication will be presented and will be shown to outperform a vendor tuned implementation for the analogous complex matrix operation. The results of this work pave the path for further development of high-performance quaternion linear algebra software which will improve the performance of the next generation of applicable scientific applications.

97 MATHEMATICS AND COMPUTING↗

A bioinspired approach for adaptive solid-solid phase change material coatings with optimized surface features for passive thermal regulation

The necessity to reduce global energy consumption calls for innovative strategies in building thermal management. Passive thermal regulation, particularly through bio-inspired designs, offers a promising avenue by mimicking nature's efficient control of optical properties. This research introduces a novel, climate-responsive coating that integrates optimized bio-inspired surface features with a solid-solid phase change material (SS-PCM) to dynamically manage solar absorptivity without adding additional thickness, enabling both heating and cooling as needed. Drawing on the photonic architectures of the Saharan silver ant and Morpho Didius butterfly, we employed a modeling and multi-objective optimization framework to tailor these surface features. Simulations reveal that surface texture, rather than the intrinsic phase transition of the SS PCM, dominates optical control. Relative to a flat SS PCM coating, optimized isotropic random roughness and broader range features yielded the highest passive heating power increase of about 144 % and 319 % respectively suitable for cold climates. Saharan ant-inspired features enhanced passive cooling for hot climates, achieving a 21.8 % improvement. For moderate climates, Butterfly-wing-inspired surface features provided a balanced enhancement of 19 % for heating and 7 % for cooling. Across all cases, the optimized surface features reduced combined heating and cooling energy demand more effectively than the baseline coating, while preserving material thickness. These findings demonstrate that climate-adaptive, optimized bio-inspired surface features can unlock the full potential of SS PCM coatings, providing a versatile pathway to significant energy savings in buildings and other applications. The methodology establishes a framework for designing next-generation adaptive envelopes that leverage natural photonic principles for high-impact, low-cost thermal regulation.

36 MATERIALS SCIENCE↗

Damping optimization for wave energy converters with compressible volumes.

The addition of a compressible degree of freedom (CDOF) to a wave energy converter (WEC)-which results in a compressible WEC-has been shown to significantly increase power absorption compared to a rigid WEC of the same shape and mass for a variety of architectures. This study demonstrates that a compressible point absorber, with a passive power-take-off (PTO) and optimized damping, can also achieve equal or better performance levels than an optimally controlled rigid point absorber (with the same shape and mass) using reactive power from the PTO. Wave energy is converted to mechanical energy in both cases using a linear damper PTO, with the PTO coefficient optimized for each resonance frequency and compressible volume. The large compressible volume required to tune the compressible point absorber to the desired frequency is a practical limitation that needs to be addressed with further research, especially for low frequencies. While realistic, these auxiliary units would increase the CapEx and OpEx costs, potentially reducing the aforementioned benefits gained by CDOF. However, alternative approaches can be developed to implement CDOF without the large compressible volume requirements, including the development of flexible surface panels tuned with mechanical springs.

16 TIDAL AND WAVE POWER↗

Designing Algorithms for the EMU Migrating-threads-based Architecture

The decades-old memory bottleneck problem for data-intensive applications is getting worse as the processor core counts continue to increase. Workloads with sparse memory access characteristics only achieve a fraction of a system’s total memory bandwidth. EMU architecture provides a radical approach to the issue by migrating the computational threads to the location where the data resides. The system enables access to a large PGAS-type memory for hundreds of nodes via a Cilk- based multi-threaded execution scheme.EMU architecture brings brand new challenges in application design and development. Data distribution and thread creation strategies play a crucial role in achieving optimal performance in the EMU platform. In this work, we identify several design considerations that need to be taken care of while developing applications for the new architecture and we evaluate their performance effects on the EMU-chick hardware. We also present a modified BFS algorithm for the EMU system and give experi- mental results for its execution on the platform.

Belviranli, Mehmet E.↗

Decayheatml

This code is designed to predict and analyze the decay heat generated in molten salt reactors (MSRs) using a hybrid approach that combines machine learning and segmented polynomial fitting. The accurate prediction of decay heat is essential for reactor safety and the optimization of spent fuel storage. The code operates through several key components: 1) Data Architecture: It incorporates a modular data architecture that handles various MSR-specific operational parameters such as power density, humidity content, and air ingress. These parameters are sampled using Sobol sequences to ensure comprehensive coverage of operational uncertainties. 2) Machine Learning Framework: The code employs a diverse set of machine learning models, including polynomial regression, decision trees, random forests, gradient boosting, support vector regression, k-nearest neighbors, multi-layer perceptrons, and symbolic regression. These models are trained to predict decay heat over a wide temporal range, from immediate shutdown up to 10,000 years. 3) Region-Optimized Training: The temporal domain is divided into multiple regions, each modeled separately to capture distinct decay heat characteristics across different time scales. This approach significantly improves the accuracy and interpretability of predictions. 4) Segmented Polynomial Interpretation (SPI): The SPI method translates machine learning predictions into piecewise polynomial equations. These equations are physically interpretable and can be directly integrated into existing engineering workflows and safety analyses. 5) Front-End Interfaces: The code includes both a Jupyter notebook interface for research development and a Streamlit web application for operational deployment. These interfaces allow users to interactively explore decay heat predictions, adjust operational parameters, and visualize results in real-time. 6) Applications: The framework supports various applications, including safety system validation and spent fuel container optimization. It enables real-time evaluation of worst-case decay heat scenarios, informing the design of passive safety systems and optimizing container designs for long-term storage. Overall, this code provides a robust, accurate, and user-friendly tool for predicting decay heat in MSRs, enhancing reactor safety, and optimizing spent fuel management.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

Convolutional neural networks on the HEALPix sphere: a pixel-based algorithm and its application to CMB data analysis

We describe a novel method for the application of convolutional neural networks (CNNs) to fields defined on the sphere, using the Hierarchical Equal Area Latitude Pixelization scheme (HEALPix). Specifically, we have developed a pixel-based approach to implement convolutional and pooling layers on the spherical surface, similarly to what is commonly done for CNNs applied to Euclidean space. The main advantage of our algorithm is to be fully integrable with existing, highly optimized libraries for NNs (e.g., PyTorch, TensorFlow, etc.). We present two applications of our method: (i) recognition of handwritten digits projected on the sphere; (ii) estimation of cosmological parameter from simulated maps of the cosmic microwave background (CMB). The latter represents the main target of this exploratory work, whose goal is to show the applicability of our CNN to CMB parameter estimation. We have built a simple NN architecture, consisting of four convolutional and pooling layers, and we have used it for all the applications explored herein. Concerning the recognition of handwritten digits, our CNN reaches an accuracy of ~95%, comparable with other existing spherical CNNs, and this is true regardless of the position and orientation of the image on the sphere. For CMB-related applications, we tested the CNN on the estimation of a mock cosmological parameter, defining the angular scale at which the power spectrum of a Gaussian field projected on the sphere peaks. We estimated the value of this parameter directly from simulated maps, in several cases: temperature and polarization maps, presence of white noise, and partially covered maps. For temperature maps, the NN performances are comparable with those from standard spectrum-based Bayesian methods. For polarization, CNNs perform about a factor four worse than standard algorithms. Nonetheless, our results demonstrate, for the first time, that CNNs are able to extract information from polarization fields, both in full-sky and masked maps, and to distinguish between E and B -modes in pixel space. Lastly, we have applied our CNN to the estimation of the Thomson scattering optical depth at reionization ( τ ) from simulated CMB maps. Even without any specific optimization of the NN architecture, we reach an accuracy comparable with standard Bayesian methods. This work represents a first step towards the exploitation of NNs in CMB parameter estimation and demonstrates the feasibility of our approach.

79 ASTRONOMY AND ASTROPHYSICS↗

blastforge

BlastForge is a python module meant to aid reinforcement learning research for geometry optimization research projects. The code is built to use PyTorch as a backend and will contain several model architectures and reinforcement learning training loops as well as helper python functions to evaluate a model’s performance during and after training. BlastForge is meant to be a small, focused python project to study moderate-complexity geometry optimization problems

Hickmann, Kyle [Los Alamos National Laboratory]↗

A differentiable approach to the maximum independent set problem using dataless neural networks

The success of machine learning solutions for reasoning about discrete structures has brought attention to its adoption within combinatorial optimization algorithms. Such approaches generally rely on supervised learning by leveraging datasets of the combinatorial structures of interest drawn from some distribution of problem instances. Reinforcement learning has also been employed to find such structures. Here, in this paper, we propose a different approach in that no data is required for training the neural networks that produce the solution. In this sense, what we present is not a machine learning solution, but rather one that is dependent on neural networks and where backpropagation is applied to a loss function defined by the structure of the neural network architecture as opposed to a training dataset. In particular, we reduce the popular combinatorial optimization problem of finding a maximum independent set to a neural network and employ a dataless training scheme to refine the parameters of the network such that those parameters yield the structure of interest. Additionally, we propose a universal graph reduction procedure to handle large-scale graphs. The reduction exploits community detection for graph partitioning and is applicable to any graph type and/or density. Experimental results on both real and synthetic graphs demonstrate that our proposed method performs on par or outperforms state-of-the-art learning-based methods in terms of the size of the found set without requiring any training data.

97 MATHEMATICS AND COMPUTING↗

Simulator for heterogeneous dataflow architectures

A new simulator is developed to simulate the execution of an algorithm graph in accordance with the Algorithm to Architecture Mapping Model (ATAMM) rules. ATAMM is a Petri Net model which describes the periodic execution of large-grained, data-independent dataflow graphs and which provides predictable steady state time-optimized performance. This simulator extends the ATAMM simulation capability from a heterogenous set of resources, or functional units, to a more general heterogenous architecture. Simulation test cases show that the simulator accurately executes the ATAMM rules for both a heterogenous architecture and a homogenous architecture, which is the special case for only one processor type. The simulator forms one tool in an ATAMM Integrated Environment which contains other tools for graph entry, graph modification for performance optimization, and playback of simulations for analysis.

Malekpour, Mahyar R.↗

Bayesian Optimized Deep Ensemble for Uncertainty Quantification of Deep Neural Networks: a System Safety Case Study on Sodium Fast Reactor Thermal Stratification Modeling

Deep neural networks (DNNs) are increasingly important to scientific computing and engineering system simulations. Accurate uncertainty quantification (UQ) for DNNs is critical in safety-sensitive engineering domains. Traditional Deep Ensemble (DE) methods, while easy to implement, frequently suffer from poorly calibrated uncertainty estimates and limited predictive accuracy due to reliance on fixed architectures with varied weight initializations. To address these issues, we introduce a workflow that combines Bayesian Optimization (BO) and DE. The workflow is modular, scalable, and integrates parallel BO initialized with Sobol sequences to individually optimize the hyperparameters of each ensemble member. This method enhances ensemble diversity, improves predictive accuracy, and provides reliable uncertainty estimates. We evaluate the proposed BODE approach in a sodium fast reactor thermal stratification modeling case study, where we used a densely connected convolutional neural network to predict turbulent viscosity during the reactor transient with consideration of data noise. We benchmark its performance against several optimization approaches, including baseline deep ensemble, evolutionary algorithm-optimized ensemble, ensemble formed via random search combined with greedy selection, and a BO ensemble using random initialization. Here, our results demonstrate superior performance of the developed BODE approach. In noise-free scenarios, BODE notably reduces incorrect aleatoric uncertainty and significantly enhances predictive accuracy. Under conditions of 5% and 10% Gaussian noise, BODE adaptively quantifies uncertainty proportional to data noise, achieving up to an 80% reduction in root mean square error compared to baseline methods and producing well-calibrated prediction intervals.

Bayesian optimization↗

Programming Abstractions for Managing Workflows on Tiered Storage Systems

Scientific workflows in High Performance Computing (HPC) environments are processing large amounts of data. The storage hierarchy on HPC systems is getting deeper, driven by new technologies (NVRAMs, SSDs, etc.) There is a need for new programming abstractions that allow users to seamlessly manage data at the workflow level on multi-tiered storage systems, and provide optimal workflow performance and use of storage resources. In previous work, we introduced a software architecture Managing Data on Tiered Storage for Scientific Workflows (MaDaTS) that used a Virtual Data Space (VDS) abstraction to hide the complexities of the underlying storage system while allowing users to control data management strategies. In this article, we detail the data-centric programming abstractions that allow users to manage a workflow around its data on the storage layer. The programming abstractions simplify data management for scientific workflows on multi-tiered storage systems, without affecting workflow performance or storage capacity. We measure the overheads and effectiveness introduced by the programming abstractions of MaDaTS. Our results show that these abstractions can optimally use the storage capacity in lesser capacity storage tiers, and simplify data management without adding any performance overheads.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗