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NASA NTRS2022

Lunar Communications Services with Emphasis on Commercialization

In mid-2020 Lockheed Marin Space (LM) and NASA’s Jet Propulsion Laboratory (JPL) formed a working group to study and address the need for a lunar communications network to service a growing lunar economy, beginning with the initial crewed and robotic mission needs in 2024. Multiple commercial relay architectures were studied and evaluated for platform requirements, communications capabilities, and commercial business viability in a growing ecosystem. The evolution of communications needs around the Moon were mapped to infrastructure build out. Trade studies were performed to evaluate reliability and lifetime requirements, and the viability of various data protocols. Mission concepts and operations plans were developed for both initial mission support and future autonomous network support. This work has led to Lockheed Martin and JPL to evaluate a single dedicated relay satellite in a frozen lunar orbit, with simultaneous coverage of the far-side and south pole landing sites for over 10 hours per day as a first step towards a comprehensive solution to lunar connectivity. This first satellite is compatible with an ESPA Grande launch volume and would be capable of launching on a rideshare into a variety of orbits and trajectories. The satellite is equipped with both high- and low-rate communications relay payloads with software-defined radios and a delay/disruption tolerant networking protocol. The system is designed to service initial and future mission needs in a commercialized manner, enabling a new class of missions to the Moon. The relay satellite leverages prior spacecraft platform work with on-orbit heritage in a lunar environment expected by 2023.

Davarian, Faramaz↗

DOE OSTI2017

A Dual-Lattice Discrete Element Model to Understand Hydraulic Fracturing in a Naturally Fractured System

Interaction between hydraulic fractures (HF) and natural fractures (NF) may lead to complex fracture networks as a consequence of branching and merging of the natural and hydraulically-induced/reopened fractures. Conventional simulation methods, with assumptions of homogeneous and continuous media, are not able to capture realistic fracture patterns in the presence of pre-existing natural fractures (open or healed). These natural discontinuities alter the local stress field and impact the fracturing fluid pressure distribution when hydraulically-driven fractures approach natural discontinuities. Modeling the propagation of one or more propagating hydraulic fractures in naturally fractured reservoirs should carefully consider the complex mechanical and hydraulic interactions between hydraulically-driven and natural fractures. A rigorous hydraulic fracturing model based on a coupled discrete element method (DEM) and conjugate network flow model is described in this work. The coupled DEM-network flow model conveniently accounts for both continuous poroelasticity and discrete natural fractures simultaneously and provides more realistic fracture growth patterns in low-permeability rocks. This dual lattice DEM-network flow model can capture both tension-induced rock failure and shear-induced natural discontinuity sliding and dilation. Simulation results revealed that reactivation of natural fractures becomes more difficult when the following conditions are present: larger magnitude of stress difference, higher intercepting angle between the natural fracture and the propagating hydraulic fracture (higher implies more orthogonal to the natural fracture), larger natural fracture cohesion and angle of internal friction and/or lower natural fracture permeability - leading to continued growth of the hydraulic fracture. The term stress difference was colloquially used in the preceding sentence. For clarity, we will define this as ΔS = S H,max – S h,min ). The quantitative results of numerous simulations reinforced the intuitive understanding of the underlying phenomena. Other simulations reinforced insights from laboratory experimentation and field measurements that lower injection rates and treating fluid viscosities facilitate preferential fluid intake into natural fractures. Finally, this simulation capability for predicting the nature of complex fracture networks potentially enables optimizing treatment design and completion strategy in naturally fractured reservoirs.

42 ENGINEERING↗

DOE OSTI2018

167-PFlops deep learning for electron microscopy: from learning physics to atomic manipulation

An artificial intelligence system called MENNDL, which used 25,200 NVIDIA Volta GPUs on Oak Ridge National Laboratory's Summit machine, automatically designed an optimal deep learning network in order to extract structural information from raw atomic-resolution microscopy data. In a few hours, MENNDL creates and evaluates millions of networks using a scalable, parallel, asynchronous genetic algorithm augmented with a support vector machine to automatically find a superior deep learning network topology and hyper-parameter set than a human expert can find in months. For the application of electron microscopy, the system furthers the goal of improving our understanding of the electron-beam-matter interactions and real-time image-based feedback, which enables a huge step beyond human capacity towards nanofabricating materials automatically. MENNDL has been scaled to the 4,200 available nodes of Summit achieving a measured 152.5 PFlops, with an estimated sustained performance of 167 PFlops when the entire machine is available.

Patton, Robert↗

DOE OSTI2021

A Robust Approach to Sequential Information Theoretic Planning

In many sequential planning applications a natural approach to generating high quality plans is to maximize an information reward such as mutual information (MI). Unfortunately, MI lacks a closed form in all but trivial models, and so must be estimated. In applications where the cost of plan execution is expensive, one desires planning estimates which admit theoretical guarantees. Through the use of robust M-estimators we obtain bounds on absolute deviation of estimated MI. Moreover, we propose a sequential algorithm which integrates inference and planning by maximally reusing particles in each stage. We validate the utility of using robust estimators in the sequential approach on a Gaussian Markov Random Field wherein information measures have a closed form. Lastly, we demonstrate the benefits of our integrated approach in the context of sequential experiment design for inferring causal regulatory networks from gene expression levels. Here, our method shows improvements over a recent method which selects intervention experiments based on the same MI objective.

Zheng, Sue↗

DOE OSTI2026

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗

DOE OSTI2016

Towards a Scalable and Adaptive Application Support Platform for Large-Scale Distributed E-Sciences in High-Performance Network Environments

The advent of large-scale collaborative scientific applications has demonstrated the potential for broad scientific communities to pool globally distributed resources to produce unprecedented data acquisition, movement, and analysis. System resources including supercomputers, data repositories, computing facilities, network infrastructures, storage systems, and display devices have been increasingly deployed at national laboratories and academic institutes. These resources are typically shared by large communities of users over Internet or dedicated networks and hence exhibit an inherent dynamic nature in their availability, accessibility, capacity, and stability. Scientific applications using either experimental facilities or computation-based simulations with various physical, chemical, climatic, and biological models feature diverse scientific workflows as simple as linear pipelines or as complex as a directed acyclic graphs, which must be executed and supported over wide-area networks with massively distributed resources. Application users oftentimes need to manually configure their computing tasks over networks in an ad hoc manner, hence significantly limiting the productivity of scientists and constraining the utilization of resources. The success of these large-scale distributed applications requires a highly adaptive and massively scalable workflow platform that provides automated and optimized computing and networking services. This project is to design and develop a generic Scientific Workflow Automation and Management Platform (SWAMP), which contains a web-based user interface specially tailored for a target application, a set of user libraries, and several easy-to-use computing and networking toolkits for application scientists to conveniently assemble, execute, monitor, and control complex computing workflows in heterogeneous high-performance network environments. SWAMP will enable the automation and management of the entire process of scientific workflows with the convenience of a few mouse clicks while hiding the implementation and technical details from end users. Particularly, we will consider two types of applications with distinct performance requirements: data-centric and service-centric applications. For data-centric applications, the main workflow task involves large-volume data generation, catalog, storage, and movement typically from supercomputers or experimental facilities to a team of geographically distributed users; while for service-centric applications, the main focus of workflow is on data archiving, preprocessing, filtering, synthesis, visualization, and other application-specific analysis. We will conduct a comprehensive comparison of existing workflow systems and choose the best suited one with open-source code, a flexible system structure, and a large user base as the starting point for our development. Based on the chosen system, we will develop and integrate new components including a black box design of computing modules, performance monitoring and prediction, and workflow optimization and reconfiguration, which are missing from existing workflow systems. A modular design for separating specification, execution, and monitoring aspects will be adopted to establish a common generic infrastructure suited for a wide spectrum of science applications. We will further design and develop efficient workflow mapping and scheduling algorithms to optimize the workflow performance in terms of minimum end-to-end delay, maximum frame rate, and highest reliability. We will develop and demonstrate the SWAMP system in a local environment, the grid network, and the 100Gpbs Advanced Network Initiative (ANI) testbed. The demonstration will target scientific applications in climate modeling and high energy physics and the functions to be demonstrated include workflow deployment, execution, steering, and reconfiguration. Throughout the project period, we will work closely with the science communities in the fields of climate modeling and high energy physics including Spallation Neutron Source (SNS) and Large Hadron Collider (LHC) projects to mature the system for production use.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Wallops Ship Surveillance System

Approved as a Wallops control center backup system, the Wallops Ship Surveillance Software is a day-of-launch risk analysis tool for spaceport activities. The system calculates impact probabilities and displays ship locations relative to boundary lines. It enables rapid analysis of possible flight paths to preclude the need to cancel launches and allow execution of launches in a timely manner. Its design is based on low-cost, large-customer- base elements including personal computers, the Windows operating system, C/C++ object-oriented software, and network interfaces. In conformance with the NASA software safety standard, the system is designed to ensure that it does not falsely report a safe-for-launch condition. To improve the current ship surveillance method, the system is designed to prevent delay of launch under a safe-for-launch condition. A single workstation is designated the controller of the official ship information and the official risk analysis. Copies of this information are shared with other networked workstations. The program design is divided into five subsystems areas: 1. Communication Link -- threads that control the networking of workstations; 2. Contact List -- a thread that controls a list of protected item (ocean vessel) information; 3. Hazard List -- threads that control a list of hazardous item (debris) information and associated risk calculation information; 4. Display -- threads that control operator inputs and screen display outputs; and 5. Archive -- a thread that controls archive file read and write access. Currently, most of the hazard list thread and parts of other threads are being reused as part of a new ship surveillance system, under the SureTrak project.

Smith, Donna C.↗

NASA NTRS2016

Integrated Solar-Panel Antenna Array for CubeSats

The goal of the Integrated Solar-Panel Antenna Array for CubeSats (ISAAC) project is to design and demonstrate an effective and efficien toptically transparent, high-gain, lightweight, conformal X-band antenna array that is integrated with the solar panels of a CubeSat. The targeted demonstration is for a Near Earth Network (NEN)radio at X-band, but the design can be easilyscaled to other network radios for higher frequencies. ISAAC is a less expensive and more flexible design for communication systemscompared to a deployed dish antenna or the existing integrated solar panel antenna design.

CubeSat↗

DOE OSTI2025

Regulating hydrogel mechanical properties with an electric field

Stimuli-responsive polymeric materials have attracted significant attention due to their ability to change properties in response to various external stimuli. Using an electric field as the stimulus is of particular interest as it possesses the potential for seamless integration of materials with electronic systems. While many materials with electric field responsive actuation have an associated mechanical property change, it is beneficial to develop materials that exhibit mechanical property changes without accompanying significant shape deformation. To address this challenge, here we designed a semi-interpenetrating polymer network (semi-IPN) hydrogel system containing both polyelectrolytes and salt ions, which enables electric field induced changes in mechanical properties while minimizing actuation. We first successfully verified the viability of our design by removing salt ions through a diffusion-only method where we witnessed the stiffness increased to 4.5 times the initial value while still being highly deformable. After this, we applied an electric field to transport the salt ions out of the hydrogel, as shown by both Raman spectroscopy and scanning electron microscopy. We were able to show a time-dependent stiffness increase, the maximum of which was 5 times the original stiffness. We quantified ion transport and water-splitting in the hydrogel by both experiments and simulations. Following this, we showed functional system reversibility by reversing the direction of the current to reinject salt ions into the semi-IPN hydrogel and reducing its stiffness to below the initial value. It's worth noting that our simulations enable us to understand the governing mechanisms behind ion generation and salt transport that leads to mechanical property changes. Finally, we were able to fabricate a spatially variable stiffness haptic interface with our hydrogel, with demonstrated reversibility and cyclability. This research can possibly find applications in soft robotics and haptics and also inspire the development of bio-compatible electronics related devices.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Fluid System Stability Analysis Techniques

Fluid systems, or networks, consist of multiple components that work together to achieve some desired thermofluid state. For any generic application, this fluid state can be a combination of the fluid pressure, flow rate, enthalpy, or species concentration. Fluid system components, such as pumps and valves, are often governed by nonlinear differential equations, resulting in complex component-to-component interactions. System-level fluid network stability occurs when the flow through the system can maintain a steady-state solution in the presence of small perturbations, which depends on these component interactions. System instability, however, can go undetected until issues arise during integrated system testing. This presentation explores a method for system designers to think of the fluid network as an assembly of components, each with their own thermofluid surfaces of partial stability, called nullclines. The intersections of all nullclines yields system-level solutions, called equilibrium points. When designers define operating points, they are tuning system parameters so that these equilibrium points move to the desired location in the thermofluid state plane. However, linearization theory shows us that the dynamic behavior around these points can be unstable. The local stability of these equilibrium points can be assessed analytically with eigen-analysis, or numerically by propagating state-plane samples to construct a phase portrait. Investigating a phase portrait can help designers gain a qualitative understanding of a system’s dynamic performance. This understanding can then help inform requirement definitions, component selection, and operational procedures. This presentation includes an example of the phase portrait technique on a system featuring a centrifugal pump and a back-pressure regulator (BPR). Numerical modeling of this system suggests that equilibrium points on the left-hand side of the pump curve are dynamically unstable.

Fluid System↗

DOE OSTI2025

Functional Design of Peptide Materials Based on Supramolecular Cohesion

Peptide materials offer a broad platform to design biomimetic soft matter, and filamentous networks that emulate those in extracellular matrices and the cytoskeleton are among the important targets. Given the vast sequence space, a combination of computational approaches and readily accessible experimental techniques is required to design peptide materials efficiently. Here, we report here on a strategy that utilizes this combination to predict supramolecular cohesion within filaments of peptide amphiphiles, a property recently linked to supramolecular dynamics and consequently bioactivity. Using established coarse-grained simulations on 10,000 randomly generated peptide sequences, we identified 3500 likely to self-assemble in water into nanoscale filaments. Atomistic simulations of small clusters were used to further analyze this subset of sequences and identify mathematical descriptors that are predictive of intermolecular cohesion, which was the main purpose of this work. We arbitrarily selected a small cohort of these sequences for chemical synthesis and verified their fiber morphology. With further characterization, we were able to link the latent heat associated with fiber to micelle transitions, an indicator of cohesion and potential supramolecular dynamicity within the filaments, to calculated hydrogen bond densities in the simulation clusters. Based on validation from in situ synchrotron X-ray scattering and differential scanning calorimetry, we conclude that the phase transitions can be easily observed by very simple polarized light microscopy experiments. We are encouraged by the methodology explored here as a relatively low-cost and fast way to design potential functions of peptide materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Privacy-aware contextual localization using network traffic analysis

The rise of location-based services has enabled many opportunities for content service providers to optimize the content delivery to user's wireless devices based on her location. Since the sharing precise location remains a major privacy concern among the users, certain location-based services rely on contextual location (e.g. residence, work, etc.) as opposed to acquiring user's exact physical location. In this paper, we present PACL (Privacy-Aware Contextual Localizer) model, which can learn user's contextual location just by passively monitoring user's network traffic. PACL can discern a set of vital attributes (statistical and application-based) from user's network traffic, and predict user's contextual location with a very high accuracy. We design and evaluate PACL using real-world network traces of over 1700 users with over 100GB of total data. Our results show that PACL, when built using the Bayesian Network machine learning algorithm, can predict user's contextual location with the accuracy of around 89%.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

Deep learning is revolutionizing many areas of science and technology, especially image, text, and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn an accurate and transferable potential for organic molecules. We introduce ANAKIN-ME (Accurate NeurAl networK engINe for Molecular Energies) or ANI for short. ANI is a new method designed with the intent of developing transferable neural network potentials that utilize a highly-modified version of the Behler and Parrinello symmetry functions to build single-atom atomic environment vectors (AEV) as a molecular representation. AEVs provide the ability to train neural networks to data that spans both configurational and conformational space, a feat not previously accomplished on this scale. We utilized ANI to build a potential called ANI-1, which was trained on a subset of the GDB databases with up to 8 heavy atoms in order to predict total energies for organic molecules containing four atom types: H, C, N, and O. To obtain an accelerated but physically relevant sampling of molecular potential surfaces, we also proposed a Normal Mode Sampling (NMS) method for generating molecular conformations. Through a series of case studies, we show that ANI-1 is chemically accurate compared to reference DFT calculations on much larger molecular systems (up to 54 atoms) than those included in the training data set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1977

Caution and warning system

Battery-operated, biomedical-monitoring and display network is used for intensive-care and patient monitoring. Digital, bus-oriented design enhances simplicity, flexibility, and noise immunity advantages. Network is 100 percent reprogramable. Malfunctions are immediately displayed, accompanied by proper corrective procedures.

Mcclung, T. M.↗

DOE OSTI2023

Digital Modeling on Large Kernel Metamaterial Neural Network

Deep neural networks (DNNs) utilized recently are physically deployed with computational units (e.g., CPUs and GPUs). Such a design might lead to a heavy computational burden, significant latency, and intensive power consumption, which are critical limitations in applications such as Internet of Things (IoT), edge computing, and usage of drones. Recent advances in optical computational units (e.g., metamaterial) have shed light on energy-free and light-speed neural networks. However, the digital design of the metamaterial neural network (MNN) is fundamentally limited by its physical limitations, such as precision, noise, and bandwidth during fabrication. Moreover, the unique advantages of MNN’s (e.g., light-speed computation) are not fully explored via standard 3×3 convolution kernels. In this paper, we propose a novel large kernel metamaterial neural network (LMNN) that maximizes the digital capacity of the state-of-the-art (SOTA) MNN with model re-parametrization and network compression, while also considering the optical limitation explicitly. The new digital learning scheme can maximize the learning capacity of MNN while modeling the physical restrictions of meta-optics. With the proposed LMNN, the computation cost of the convolutional front-end can be offloaded to fabricated optical hardware. The experimental results on two publicly available datasets demonstrate that the optimized hybrid design improved classification accuracy while reducing computational latency. In conclusion, the development of the proposed LMNN is a promising step towards the ultimate goal of energy-free and light-speed AI.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Software Defined Networking for HPC Interconnects and its Extension across Domains (Final Technical Report for DE-SC0016039)

This project seeks to incorporate OpenFlow-style Software Defined Networking capability into existing High Performance Computing (HPC) interconnect technology, InfiniBand, and to extend such capability beyond one domain. We develop SDN-enhanced InfiniBand that supports OpenFlow functionality for HPC interconnects, investigate the required techniques and the potential benefits for applying SDN on different types of HPC interconnects, and develop software to control the network and expose SDN capability to external networks through the OpenFlow interface. We have also developed techniques to evaluate communication characteristics of parallel applications, which determines the workload on interconnects, investigated newly proposed Interconnection network technologies including new network topologies and routing schemes, and designed novel interconnect routing and modeling techniques. Major activities and findings are summarized as follows.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Fluid System Stability Analysis Techniques

Fluid System↗

DOE OSTI2016

DART 7.0 User Guide

The Desktop Analysis Reporting Tool (DART) is a software package that allows users to easily view and analyze daily files that span long periods. DART gives users the capability to quickly determine the state of health of a radiation portal monitor (RPM), troubleshoot and diagnose problems, and view data in various time frames to perform trend analysis. In short, it converts the data strings written in the daily files into meaningful tables and plots. The standalone version of DART (“soloDART”) utilizes a database engine that is included with the application; no additional installations are necessary. There is also a networked version of DART (“polyDART”) that is designed to maximize the benefit of a centralized data repository while distributing the workload to individual desktop machines. This networked approach requires a more complex database manager Structured Query Language (SQL) Server; however, SQL Server is not currently provided with DART. Regardless of which version is used, DART will import daily files from RPMs, store the relevant data in its database, and it can produce reports for status, trend analysis, and reporting purposes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗