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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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DOE OSTI2026

Solvent-Mediated Control of Nanocellulose Dispersion: An Integrated Computational and Experimental Investigation

Fibrillated cellulose derived from forestry feedstocks represents a renewable and high-strength materials platform for circular bioeconomies. However, its practical implementation is hindered by the irreversible aggregation of nanocellulose architectures, including cellulose nanofibers (CNFs). Solvent-based dispersion offers a simple and practical route to prevent CNF aggregation. Here, in this work, we integrate classical and enhanced sampling molecular dynamics (MD) simulations with experimental suspension rheology and atomic force microscopy (AFM) to elucidate how solvent environments tune CNF–CNF interactions and dispersion stability. CNF–CNF contact free energies computed from MD simulations reveal reduced aggregation in acetone/water, γ-valerolactone (GVL)/water, and tetrahydrofuran (THF)/water and pure acetone compared with pure water, reflecting stronger CNF-solvent relative to inter-CNF interactions. Correspondingly, CNF-solvent suspensions in these solvent systems exhibit stronger inter-fibril network structures and enhanced recovery compared to water, indicating improved CNF-solvent affinity. Liquid cell AFM imaging in acetone–water mixtures and in pure acetone further confirm the presence of well-dispersed CNFs. By combining multiscale computation with targeted experiments, this study establishes a rational framework for solvent design to achieve stable nanocellulose dispersions for high-strength biobased materials and efficient bioenergy conversion.

cellulose↗

DOE OSTI2026

Evaluating lightweight unsupervised online IDS for masquerade attacks in CAN

Vehicular controller area networks (CANs) are susceptible to masquerade attacks by malicious adversaries. In masquerade attacks, adversaries silence a targeted ID and then send malicious frames with forged content at the expected timing of benign frames. As masquerade attacks could seriously harm vehicle functionality and are the stealthiest attacks to detect in CAN, recent work has devoted attention to compare frameworks for detecting masquerade attacks in CAN. However, most existing works report offline evaluations using CAN logs already collected using simulations that do not comply with the domain’s real-time constraints. Here we contribute to advance the state of the art by presenting a comparative evaluation of four different non-deep learning (DL)-based unsupervised online intrusion detection systems (IDS) for masquerade attacks in CAN. Our approach differs from existing comparative evaluations in that we analyze the effect of controlling streaming data conditions in a sliding window setting. In doing so, we use realistic masquerade attacks being replayed from the ROAD dataset. We show that although evaluated IDS are not effective at detecting every attack type, the method that relies on detecting changes in the hierarchical structure of clusters of time series produces the best results at the expense of higher computational overhead. We discuss limitations, open challenges, and how the evaluated methods can be used for practical unsupervised online CAN IDS for masquerade attacks.

Anomaly detection↗

NASA NTRS2004

Improving Search Algorithms by Using Intelligent Coordinates

We consider algorithms that maximize a global function G in a distributed manner, using a different adaptive computational agent to set each variable of the underlying space. Each agent eta is self-interested; it sets its variable to maximize its own function g (sub eta). Three factors govern such a distributed algorithm's performance, related to exploration/exploitation, game theory, and machine learning. We demonstrate how to exploit alI three factors by modifying a search algorithm's exploration stage: rather than random exploration, each coordinate of the search space is now controlled by a separate machine-learning-based player engaged in a noncooperative game. Experiments demonstrate that this modification improves simulated annealing (SA) by up to an order of magnitude for bin packing and for a model of an economic process run over an underlying network. These experiments also reveal interesting small-world phenomena.

Wolpert, David H.↗

NASA NTRS1991

Towards practical control design using neural computation

The objective is to develop neural network based control design techniques which address the issue of performance/control effort tradeoff. Additionally, the control design needs to address the important issue if achieving adequate performance in the presence of actuator nonlinearities such as position and rate limits. These issues are discussed using the example of aircraft flight control. Given a set of pilot input commands, a feedforward net is trained to control the vehicle within the constraints imposed by the actuators. This is achieved by minimizing an objective function which is the sum of the tracking errors, control input rates and control input deflections. A tradeoff between tracking performance and control smoothness is obtained by varying, adaptively, the weights of the objective function. The neurocontroller performance is evaluated in the presence of actuator dynamics using a simulation of the vehicle. Appropriate selection of the different weights in the objective function resulted in the good tracking of the pilot commands and smooth neurocontrol. An extension of the neurocontroller design approach is proposed to enhance its practicality.

Troudet, Terry↗

NASA NTRS2003

The Logical Extension

The same software controlling autonomous and crew-assisted operations for the International Space Station (ISS) is enabling commercial enterprises to integrate and automate manual operations, also known as decision logic, in real time across complex and disparate networked applications, databases, servers, and other devices, all with quantifiable business benefits. Auspice Corporation, of Framingham, Massachusetts, developed the Auspice TLX (The Logical Extension) software platform to effectively mimic the human decision-making process. Auspice TLX automates operations across extended enterprise systems, where any given infrastructure can include thousands of computers, servers, switches, and modems that are connected, and therefore, dependent upon each other. The concept behind the Auspice software spawned from a computer program originally developed in 1981 by Cambridge, Massachusetts-based Draper Laboratory for simulating tasks performed by astronauts aboard the Space Shuttle. At the time, the Space Shuttle Program was dependent upon paper-based procedures for its manned space missions, which typically averaged 2 weeks in duration. As the Shuttle Program progressed, NASA began increasing the length of manned missions in preparation for a more permanent space habitat. Acknowledging the need to relinquish paper-based procedures in favor of an electronic processing format to properly monitor and manage the complexities of these longer missions, NASA realized that Draper's task simulation software could be applied to its vision of year-round space occupancy. In 1992, Draper was awarded a NASA contract to build User Interface Language software to enable autonomous operations of a multitude of functions on Space Station Freedom (the station was redesigned in 1993 and converted into the international venture known today as the ISS)

Source record↗

DOE OSTI2026

Light storage, retrieval, and controllable interference in an atomic tripod system

Highly efficient quantum memories are essential for advancing quantum information processing technologies, including scalable quantum computing and quantum networks. We experimentally demonstrate a light storage and retrieval protocol in a tripod system using an ensemble of laser-cooled 87 Rb atoms. The tripod system, which consists of three ground states and an excited state, offers rich dynamics: its use to coherently store and retrieve a weak probe pulse in the 87 Rb 𝐹 = 1 ground-state manifold leads to the interference of two spin-wave excitations during storage time that translate to an interference in the peak intensity of the retrieved probe pulse. Our work shows that these interferences, which manifest when varying the pulse sequence or energy level structure, can be controlled experimentally by varying the storage time, optical phase, and magnetic field strength. Theoretical simulations exhibit excellent agreement with the experimental results. In conclusion, this work demonstrates the rich dynamics and versatile capabilities of atomic tripod systems for light storage and retrieval, with key advantages over conventional Λ systems, highlighting the potential of atomic tripod systems for applications in quantum information processing, quantum synchronization, and atomic memory protocols.

Coherent control↗

NASA NTRS2019

A Finite Volume Procedure for Thermo-Fluid System Analysis in a Flow Network

This paper describes a finite volume procedure for network flow analysis in a thermofluid system. A flow network is defined as a group of inter-connected control volumes called “nodes” that are connected by “branches”. The mass and energy conservation equations are solved at the nodes and momentum conservation equations are solved at the branches. The flow network also includes solid nodes to account for fluid to solid heat transfer. The heat conduction equation is solved at the solid nodes in conjunction with the flow equations. The properties of a real fluid are calculated using a thermodynamic property program and used in the conservation equations. The system of equations describing the fluid-solid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution method. This procedure has been incorporated into a general-purpose computer program, the Generalized Fluid System Simulation Program, GFSSP. This paper also presents the application and verification of the method by comparison with test data for several applications that include (a) internal flow in a rocket engine turbo-pump, (b) pressurization and loading of a cryogenic propellant tank, (c) fluid transient during sudden opening of valve for priming of an evacuated feed line, and (d) chill down of a cryogenic transfer line with phase change and two phase flows.

Majumdar, Alok↗

NASA NTRS2007

Telerobotic Surgery: An Intelligent Systems Approach to Mitigate the Adverse Effects of Communication Delay

An extremely innovative approach has been presented, which is to have the surgeon operate through a simulator running in real-time enhanced with an intelligent controller component to enhance the safety and efficiency of a remotely conducted operation. The use of a simulator enables the surgeon to operate in a virtual environment free from the impediments of telecommunication delay. The simulator functions as a predictor and periodically the simulator state is corrected with truth data. Three major research areas must be explored in order to ensure achieving the objectives. They are: simulator as predictor, image processing, and intelligent control. Each is equally necessary for success of the project and each of these involves a significant intelligent component in it. These are diverse, interdisciplinary areas of investigation, thereby requiring a highly coordinated effort by all the members of our team, to ensure an integrated system. The following is a brief discussion of those areas. Simulator as a predictor: The delays encountered in remote robotic surgery will be greater than any encountered in human-machine systems analysis, with the possible exception of remote operations in space. Therefore, novel compensation techniques will be developed. Included will be the development of the real-time simulator, which is at the heart of our approach. The simulator will present real-time, stereoscopic images and artificial haptic stimuli to the surgeon. Image processing: Because of the delay and the possibility of insufficient bandwidth a high level of novel image processing is necessary. This image processing will include several innovative aspects, including image interpretation, video to graphical conversion, texture extraction, geometric processing, image compression and image generation at the surgeon station. Intelligent control: Since the approach we propose is in a sense predictor based, albeit a very sophisticated predictor, a controller, which not only optimizes end effector trajectory but also avoids error, is essential. We propose to investigate two different approaches to the controller design. One approach employs an optimal controller based on modern control theory; the other one involves soft computing techniques, i.e. fuzzy logic, neural networks, genetic algorithms and hybrids of these.

Cardullo, Frank M.↗

NASA NTRS2004

Aerodynamic Optimization of Rocket Control Surface Geometry Using Cartesian Methods and CAD Geometry

Aerodynamic design is an iterative process involving geometry manipulation and complex computational analysis subject to physical constraints and aerodynamic objectives. A design cycle consists of first establishing the performance of a baseline design, which is usually created with low-fidelity engineering tools, and then progressively optimizing the design to maximize its performance. Optimization techniques have evolved from relying exclusively on designer intuition and insight in traditional trial and error methods, to sophisticated local and global search methods. Recent attempts at automating the search through a large design space with formal optimization methods include both database driven and direct evaluation schemes. Databases are being used in conjunction with surrogate and neural network models as a basis on which to run optimization algorithms. Optimization algorithms are also being driven by the direct evaluation of objectives and constraints using high-fidelity simulations. Surrogate methods use data points obtained from simulations, and possibly gradients evaluated at the data points, to create mathematical approximations of a database. Neural network models work in a similar fashion, using a number of high-fidelity database calculations as training iterations to create a database model. Optimal designs are obtained by coupling an optimization algorithm to the database model. Evaluation of the current best design then gives either a new local optima and/or increases the fidelity of the approximation model for the next iteration. Surrogate methods have also been developed that iterate on the selection of data points to decrease the uncertainty of the approximation model prior to searching for an optimal design. The database approximation models for each of these cases, however, become computationally expensive with increase in dimensionality. Thus the method of using optimization algorithms to search a database model becomes problematic as the number of design variables is increased.

Nelson, Andrea↗

DOE OSTI2024

Stress-controlled medium-amplitude oscillatory shear (MAOStress) of PVA–Borax

We report the first-ever complete measurement of MAOStress material functions, which reveal that stress can be more fundamental than strain or strain rate for understanding linearity limits as a function of Deborah number. The material used is a canonical viscoelastic liquid with a single dominant relaxation time: polyvinyl alcohol (PVA) polymer solution cross-linked with tetrahydroborate (Borax) solution. We outline experimental limit lines and their dependence on geometry and test conditions. These MAOStress measurements enable us to observe the frequency dependence of the weakly nonlinear deviation as a function of stress amplitude. The observed features of MAOStress material functions are distinctly simpler than MAOStrain, where the frequency dependence is much more dramatic. The strain-stiffening transient network model was used to derive a model-informed normalization of the nonlinear material functions that accounts for their scaling with linear material properties. Moreover, we compare the frequency dependence of the critical stress, strain, and strain-rate for the linearity limit, which are rigorously computed from the MAOStress and MAOStrain material functions. While critical strain and strain-rate change by orders of magnitude throughout the Deborah number range, critical stress changes by a factor of about 2, showing that stress is a more fundamental measure of nonlinearity strength. This work extends the experimental accessibility of the weakly nonlinear regime to stress-controlled instruments and deformations, which reveal material physics beyond linear viscoelasticity but at conditions that are accessible to theory and detailed simulation.

Mechanics↗

DOE OSTI2025

Evaluating Function-as-a-Service (FaaS) frameworks for the Accelerator Control System

As particle accelerator control systems evolve in complexity and scale, the need for responsive, scalable, and cost-effective computational infrastructure becomes increasingly critical. Function-as-a-Service (FaaS) offers an alternative to traditional monolithic architecture by enabling event-driven execution, automatic scaling, and fine-grained resource utilization. This paper explores the applicability and performance of FaaS frameworks in the context of a modern particle accelerator control system, with the objective of evaluating their suitability for short lived and triggered workloads. In this paper, we evaluate prominent open-source FaaS platforms in executing functional logic, triggers, and diagnostics routines. Evaluation metrics consist of cold-start latency, scalability, performance, integration with other open-source tools like Kafka. Experimental workloads were designed to simulate real-world control tasks when implemented as stateless FaaS functions. These workloads were benchmarked under various invocation loads and network conditions. Self-hosted FaaS platforms, when deployed within accelerator networks, offer greater control over execution environment, better integration with legacy systems, and support for real-time guarantees when paired with message queues. Based on lessons learned and evaluation metrics, this paper describes reliability of the FaaS framework for the Accelerator Control Systems (ACS).

Jaikar, A. [Fermilab] (ORCID:0000000332046217)↗

DOE OSTI2024

In Silico Human Mobility Data Science: Leveraging Massive Simulated Mobility Data (Vision Paper)

Human mobility data science using trajectories or check-ins of individuals has many applications. Recently, we have seen a plethora of research efforts that tackle these applications. However, research progress in this field is limited by a lack of large and representative datasets. The largest and most commonly used dataset of individual human trajectories captures fewer than 200 individuals, while datasets of individual human check-ins capture fewer than 100 check-ins per city per day. Thus, it is not clear if findings from the human mobility data science community would generalize to large populations. Since obtaining massive, representative, and individual-level human mobility data is hard to come by due to privacy considerations, the vision of this work is to embrace the use of data generated by large-scale socially realistic microsimulations. Informed by both real data and leveraging social and behavioral theories, massive spatially explicit microsimulations may allow us to simulate entire megacities at the person level. The simulated worlds, which do not capture any identifiable personal information, allow us to perform “in silico” experiments using the simulated world as a sandbox in which we have perfect information and perfect control without jeopardizing the privacy of any actual individual. In silico experiments have become commonplace in other scientific domains such as chemistry and biology, permitting experiments that foster the understanding of concepts without any harm to individuals. This work describes challenges and opportunities for leveraging massive and realistic simulated alternate worlds for in silico human mobility data science.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Performance analysis of a large-grain dataflow scheduling paradigm

A paradigm for scheduling computations on a network of multiprocessors using large-grain data flow scheduling at run time is described and analyzed. The computations to be scheduled must follow a static flow graph, while the schedule itself will be dynamic (i.e., determined at run time). Many applications characterized by static flow exist, and they include real-time control and digital signal processing. With the advent of computer-aided software engineering (CASE) tools for capturing software designs in dataflow-like structures, macro-dataflow scheduling becomes increasingly attractive, if not necessary. For parallel implementations, using the macro-dataflow method allows the scheduling to be insulated from the application designer and enables the maximum utilization of available resources. Further, by allowing multitasking, processor utilizations can approach 100 percent while they maintain maximum speedup. Extensive simulation studies are performed on 4-, 8-, and 16-processor architectures that reflect the effects of communication delays, scheduling delays, algorithm class, and multitasking on performance and speedup gains.

Young, Steven D.↗

DOE OSTI2024

Optical Control of Adaptive Nanoscale Domain Networks

Adaptive networks can sense and adjust to dynamic environments to optimize their performance. Understanding their nanoscale responses to external stimuli is essential for applications in nanodevices and neuromorphic computing. However, it is challenging to image such responses on the nanoscale with crystallographic sensitivity. Here, the evolution of nanodomain networks in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices (SLs) is directly visualized in real space as the system adapts to ultrafast repetitive optical excitations that emulate controlled neural inputs. The adaptive response allows the system to explore a wealth of metastable states that are previously inaccessible. Their reconfiguration and competition are quantitatively measured by scanning x-ray nanodiffraction as a function of the number of applied pulses, in which crystallographic characteristics are quantitatively assessed by assorted diffraction patterns using unsupervised machine-learning methods. The corresponding domain boundaries and their connectivity are drastically altered by light, holding promise for light-programable nanocircuits in analogy to neuroplasticity. Phase-field simulations elucidate that the reconfiguration of the domain networks is a result of the interplay between photocarriers and transient lattice temperature. The demonstrated optical control scheme and the uncovered nanoscopic insights open opportunities for the remote control of adaptive nanoscale domain networks.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Computer network environment planning and analysis

The GSFC Computer Network Environment provides a broadband RF cable between campus buildings and ethernet spines in buildings for the interlinking of Local Area Networks (LANs). This system provides terminal and computer linkage among host and user systems thereby providing E-mail services, file exchange capability, and certain distributed computing opportunities. The Environment is designed to be transparent and supports multiple protocols. Networking at Goddard has a short history and has been under coordinated control of a Network Steering Committee for slightly more than two years; network growth has been rapid with more than 1500 nodes currently addressed and greater expansion expected. A new RF cable system with a different topology is being installed during summer 1989; consideration of a fiber optics system for the future will begin soon. Summmer study was directed toward Network Steering Committee operation and planning plus consideration of Center Network Environment analysis and modeling. Biweekly Steering Committee meetings were attended to learn the background of the network and the concerns of those managing it. Suggestions for historical data gathering have been made to support future planning and modeling. Data Systems Dynamic Simulator, a simulation package developed at NASA and maintained at GSFC was studied as a possible modeling tool for the network environment. A modeling concept based on a hierarchical model was hypothesized for further development. Such a model would allow input of newly updated parameters and would provide an estimation of the behavior of the network.

Dalphin, John F.↗

DOE OSTI2024

Simulation Evaluation of a Large-Scale Implementation of Virtual-Phase Link-Based Model Predictive Control

Traffic congestion is a serious problem in the US, and traffic signal control is one of the effective solutions to congestion. Previous research on model predictive control (MPC)-based traffic signal control showed substantial benefits over conventional methods. This study focused on implementing MPC over a large-scale network with complex intersections and the impact of cycle length, network size, and imperfect state estimation on performances. This study implemented a virtual phase link (VPL)-based model predictive control method which used the number of vehicles in each VPL as input state variables and was suitable for National Electrical Manufacturing Association (NEMA) ring-barrier control. To test the impact of network size, the performance of distributed MPC (36 intersections in the network are divided into five subnetworks) was compared with that of MPC over the full network for a set of cycle lengths. To test the impact of imperfect state estimation, we synthetically infused estimation error and developed two scenarios, MPC-error and MPC-error narrow, which had higher and lower estimation errors, respectively. The performance of these MPC methods was compared with that of the existing time-of-day (TOD) method and an offline method that used Webster's method for split and MULTIBAND for cycle length and offset optimization. Trajectory and linkwise signal performance measures were collected from the simulation to evaluate performance. The distributed MPC method with perfect state estimation had the lowest delay and highest energy efficiency of all the methods. The performance of MPC decreased as the prediction inaccuracy increased. MPC-error had 7% and 11% more delay than MPC-error narrow in the morning and evening peaks, respectively. Overall, simulation results suggest that even with imperfect state estimation, MPC methods will outperform offline methods significantly.

large-scale simulation↗

DOE OSTI2025

Transferable dispersion-aware machine learning interatomic potentials for multilayer transition metal dichalcogenide heterostructures

Stacking atomically thin transition metal dichalcogenides (TMDs) into heterostructures enables exploration of exotic quantum phases, particularly through twist-angle-controlled moiré superlattices. These structures exhibit novel electronic and optical behaviors driven by atomic-scale structural reconstruction. However, studying such systems with DFT is computationally demanding due to their large unit cells and van der Waals (vdW) interactions between layers. To address this, we develop a transferable neural network potential (NNP) that includes long-range vdW corrections up to 12Å with minimal overhead. Trained on vdW-corrected DFT data for Mo- and W-based TMDs with S, Se, and Te, the NNP accurately models monolayers, bilayers, heterostructures, and their interaction with h-BN substrates. It reproduces equilibrium structures, energy landscapes, phonon dispersions, and matches experimental atomic reconstructions in twisted WS2 and MoS2/WSe2 systems. We demonstrate that our NNP achieves DFT-level accuracy and high computational efficiency, enabling large-scale simulations of TMD-based moiré superlattices both with and without substrates.

materials for energy and catalysis↗

NASA NTRS2010

Distributed Observer Network

The Distributed Observer network (DON) is a NASA-collaborative environment that leverages game technology to bring three-dimensional simulations to conventional desktop and laptop computers in order to allow teams of engineers working on design and operations, either individually or in groups, to view and collaborate on 3D representations of data generated by authoritative tools such as Delmia Envision, Pro/Engineer, or Maya. The DON takes models and telemetry from these sources and, using commercial game engine technology, displays the simulation results in a 3D visual environment. DON has been designed to enhance accessibility and user ability to observe and analyze visual simulations in real time. A variety of NASA mission segment simulations [Synergistic Engineering Environment (SEE) data, NASA Enterprise Visualization Analysis (NEVA) ground processing simulations, the DSS simulation for lunar operations, and the Johnson Space Center (JSC) TRICK tool for guidance, navigation, and control analysis] were experimented with. Desired functionalities, [i.e. Tivo-like functions, the capability to communicate textually or via Voice-over-Internet Protocol (VoIP) among team members, and the ability to write and save notes to be accessed later] were targeted. The resulting DON application was slated for early 2008 release to support simulation use for the Constellation Program and its teams. Those using the DON connect through a client that runs on their PC or Mac. This enables them to observe and analyze the simulation data as their schedule allows, and to review it as frequently as desired. DON team members can move freely within the virtual world. Preset camera points can be established, enabling team members to jump to specific views. This improves opportunities for shared analysis of options, design reviews, tests, operations, training, and evaluations, and improves prospects for verification of requirements, issues, and approaches among dispersed teams.

Conroy, Michael↗