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At least 433 records · Page 24

Computational Prediction of Coiled–Coil Protein Gelation Dynamics and Structure

Protein hydrogels represent an important and growing biomaterial for a multitude of applications, including diagnostics and drug delivery. We have previously explored the ability to engineer the thermoresponsive supramolecular assembly of coiled–coil proteins into hydrogels with varying gelation properties, where we have defined important parameters in the coiled–coil hydrogel design. Using Rosetta energy scores and Poisson–Boltzmann electrostatic energies, we iterate a computational design strategy to predict the gelation of coiled–coil proteins while simultaneously exploring five new coiled–coil protein hydrogel sequences. Provided this library, we explore the impact of in silico energies on structure and gelation kinetics, where we also reveal a range of blue autofluorescence that enables hydrogel disassembly and recovery. As a result of this library, we identify the new coiled–coil hydrogel sequence, Q5, capable of gelation within 24 h at 4 °C, a more than 2-fold increase over that of our previous iteration Q2. The fast gelation time of Q5 enables the assessment of structural transition in real time using small-angle X-ray scattering (SAXS) that is correlated to coarse-grained and atomistic molecular dynamics simulations revealing the supramolecular assembling behavior of coiled–coils toward nanofiber assembly and gelation. This work represents the first system of hydrogels with predictable self-assembly, autofluorescent capability, and a molecular model of coiled–coil fiber formation.

36 MATERIALS SCIENCE↗

KBKit: A Python Toolkit for Kirkwood–Buff Theory from Molecular Dynamics

Thermodynamic properties of liquid mixtures govern processes that range from drug delivery to energy storage, yet extracting these properties from molecular simulations remains challenging. Kirkwood–Buff (KB) theory offers a rigorous route by linking microscopic pair distribution functions to macroscopic free energies, but practical use of the theory has been hindered by two obstacles: (i) the long simulations needed to obtain well-converged Kirkwood-Buff integrals (KBIs) and (ii) the specialized corrections required to translate finite-size data to the thermodynamic limit. $\texttt{KBKit}$ is an open-source Python package that removes these barriers. It automatically computes KBIs and derived thermodynamic quantities from GROMACS input files, applies state-of-the-art finite-size corrections, and provides built-in diagnostic tools to quantify statistical uncertainty. Written with modern software-engineering practices—continuous integration, extensive unit testing, and thorough documentation—$\texttt{KBKit}$ is both reliable and easy to extend. By condensing complex KBI analysis into a few intuitive commands, $\texttt{KBKit}$ enables researchers to incorporate KB theory into routine simulation workflows and accelerate the discovery of solution-phase thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗

Analysis of selected data from the triservice missile data base

An extremely large, systematic, axisymmetric-body/tail-fin data base has been gathered through tests of an innovative missile model design which is described herein. These data were originally obtained for incorporation into a missile aerodynamics code based on engineering methods (Program MISSILE3), but these data are also valuable as diagnostic test cases for developing computational methods because of the individual-fin data included in the data base. Detailed analyses of four sample cases from these data are presented to illustrate interesting individual-fin force and moment trends. These samples quantitatively show how bow shock, fin orientation, fin deflection, and body vortices can produce strong, unusual, and computationally challenging effects on individual fin loads. Flow-visualization photographs are examined to provide physical insight into the cause of these effects.

Allen, Jerry M.↗

Linking medical records to an expert system

This presentation will be done using the IMR-Entry (Intelligent Medical Record Entry) system. IMR-Entry is a software program developed as a front-end to our diagnostic consultant software MEDAS (Medical Emergency Decision Assistance System). MEDAS (the Medical Emergency Diagnostic Assistance System) is a diagnostic consultant system using a multimembership Bayesian design for its inference engine and relational database technology for its knowledge base maintenance. Research on MEDAS began at the University of Southern California and the Institute of Critical Care in the mid 1970's with support from NASA and NSF. The MEDAS project moved to Chicago in 1982; its current progress is due to collaboration between Illinois Institute of Technology, The Chicago Medical School, Lake Forest College and NASA at KSC. Since the purpose of an expert system is to derive a hypothesis, its communication vocabulary is limited to features used by its knowledge base. The development of a comprehensive problem based medical record entry system which could handshake with an expert system while creating an electronic medical record at the same time was studied. IMR-E is a computer based patient record that serves as a front end to the expert system MEDAS. IMR-E is a graphically oriented comprehensive medical record. The programs major components are demonstrated.

Naeymi-Rad, Frank↗

EPOP: The Electric Propulsion Orbital Platform

This paper describes the results of a one-year feasibility study for an Electric Propulsion Orbital Platform (EPOP), whose primary objective is to provide an instrumented platform for testing electric propulsion devices in space. The first flight, EPOP-1, is planned aboard the Shuttle-deployed Wake Shield Facility in March 1995, and will be designed around a commercial 1.8 kW, 0.5 hydrazine arcjet system. Specific subsystems are described, namely the arcjet and the power conditioning unit, the propellant and power systems, and Wake Shield Facility. Also, system engineering and integration issues are discussed. In an accompanying paper, the diagnostics and data acquisition and control systems are described in more detail.

Friedly, V. J.↗

Lessons Learned from using a Livingstone Model to Diagnose a Main Propulsion System

NASA researchers have demonstrated that qualitative, model-based reasoning can be used for fault detection in a Main Propulsion System (MPS), a complex, continuous system. At the heart of this diagnostic system is Livingstone, a discrete, propositional logic-based inference engine. Livingstone comprises a language for specifying a discrete model of the system and a set of algorithms that use the model to track the system's state. Livingstone uses the model to test assumptions about the state of a component - observations from the system are compared with values predicted by the model. The intent of this paper is to summarize some advantages of Livingstone seen through our modeling experience: for instance, flexibility in modeling, speed and maturity. We also describe some shortcomings we perceived in the implementation of Livingstone, such as modeling continuous dynamics and handling of transients. We list some upcoming enhancements to the next version of Livingstone that may resolve some of the current limitations.

Sweet, Adam↗

Future Issues and Approaches to Health Monitoring and Failure Prevention for Oil-Free Gas Turbines

Recent technology advances in foil air bearings, high temperature solid lubricants and computer based modeling has enabled the development of small Oil-Free gas turbines. These turbomachines are currently commercialized as small (<100 kW) microturbine generators and larger machines are being developed. Based upon these successes and the high potential payoffs offered by Oil-Free systems, NASA, industry, and other government entities are anticipating Oil-Free gas turbine propulsion systems to proliferate future markets. Since an Oil-Free engine has no oil system, traditional approaches to health monitoring and diagnostics, such as chip detection, oil analysis, and possibly vibration signature analyses (e.g., ball pass frequency) will be unavailable. As such, new approaches will need to be considered. These could include shaft orbit analyses, foil bearing temperature measurements, embedded wear sensors and start-up/coast down speed analysis. In addition, novel, as yet undeveloped techniques may emerge based upon concurrent developments in MEMS technology. This paper introduces Oil-Free technology, reviews the current state of the art and potential for future turbomachinery applications and discusses possible approaches to health monitoring, diagnostics and failure prevention.

DellaCorte, Christopher↗

Constructing an Efficient Self-Tuning Aircraft Engine Model for Control and Health Management Applications

Self-tuning aircraft engine models can be applied for control and health management applications. The self-tuning feature of these models minimizes the mismatch between any given engine and the underlying engineering model describing an engine family. This paper provides details of the construction of a self-tuning engine model centered on a piecewise linear Kalman filter design. Starting from a nonlinear transient aerothermal model, a piecewise linear representation is first extracted. The linearization procedure creates a database of trim vectors and state-space matrices that are subsequently scheduled for interpolation based on engine operating point. A series of steady-state Kalman gains can next be constructed from a reduced-order form of the piecewise linear model. Reduction of the piecewise linear model to an observable dimension with respect to available sensed engine measurements can be achieved using either a subset or an optimal linear combination of "health" parameters, which describe engine performance. The resulting piecewise linear Kalman filter is then implemented for faster-than-real-time processing of sensed engine measurements, generating outputs appropriate for trending engine performance, estimating both measured and unmeasured parameters for control purposes, and performing on-board gas-path fault diagnostics. Computational efficiency is achieved by designing multidimensional interpolation algorithms that exploit the shared scheduling of multiple trim vectors and system matrices. An example application illustrates the accuracy of a self-tuning piecewise linear Kalman filter model when applied to a nonlinear turbofan engine simulation. Additional discussions focus on the issue of transient response accuracy and the advantages of a piecewise linear Kalman filter in the context of validation and verification. The techniques described provide a framework for constructing efficient self-tuning aircraft engine models from complex nonlinear simulations.Self-tuning aircraft engine models can be applied for control and health management applications. The self-tuning feature of these models minimizes the mismatch between any given engine and the underlying engineering model describing an engine family. This paper provides details of the construction of a self-tuning engine model centered on a piecewise linear Kalman filter design. Starting from a nonlinear transient aerothermal model, a piecewise linear representation is first extracted. The linearization procedure creates a database of trim vectors and state-space matrices that are subsequently scheduled for interpolation based on engine operating point. A series of steady-state Kalman gains can next be constructed from a reduced-order form of the piecewise linear model. Reduction of the piecewise linear model to an observable dimension with respect to available sensed engine measurements can be achieved using either a subset or an optimal linear combination of "health" parameters, which describe engine performance. The resulting piecewise linear Kalman filter is then implemented for faster-than-real-time processing of sensed engine measurements, generating outputs appropriate for trending engine performance, estimating both measured and unmeasured parameters for control purposes, and performing on-board gas-path fault diagnostics. Computational efficiency is achieved by designing multidimensional interpolation algorithms that exploit the shared scheduling of multiple trim vectors and system matrices. An example application illustrates the accuracy of a self-tuning piecewise linear Kalman filter model when applied to a nonlinear turbofan engine simulation. Additional discussions focus on the issue of transient response accuracy and the advantages of a piecewise linear Kalman filter in the context of validation and verification. The techniques described provide a framework for constructing efficient self-tuning aircraft engine models from complex nonlinear simulatns.

Armstrong, Jeffrey B.↗

Software and System Health Management with R2U2

R2U2 (Realizable, Responsive, Unobtrusive Unit) is a hardware-supported tool and framework for the real-time system and software health management of cyber-physical systems. R2U2 continuously monitors properties about safety, performance, and security of the vehicle and can perform diagnostic reasoning. Efficient observers for past-time and future-time Metric Temporal Logic, reasoners for Bayesian Networks, and model-based prognostics algorithms are major components of R2U2. Their combination makes it possible to design powerful models for system runtime monitoring, diagnostics, software health management, prognostics, and security monitoring. The R2U2 monitoring engine is designed for minimal runtime overhead and is available as Simulink block or as a software component for integration into the flight software stack, and enables R2U2 to monitor complex cyber-physical systems without any instrumentation of the flight software. In this presentation, we give an overview of R2U2 architecture and reasoning algorithms, present its features, and give a life demo of the tool.

Schumann, Johann↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process for a building often implements sampling rates to select equipment for functional acceptance testing when large quantities of equipment are present. While this approach is generally effective in identifying wide-spread issues, it has several key shortfalls. (1) It provides a one-time validation of equipment operation in which the standard documentation is a simple checklist of pass/fail questions. (2) It fails to evaluate equipment not included in the sample rate selection. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. The goal of this presentation will be to highlight the advantages offered by automated functional testing in this critical laboratory setting. These are primarily (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with connected commissioning and the important conversations with the key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process uses sampling to select equipment for functional acceptance testing when large quantities of equipment are present. Although this approach is generally effective in identifying wide-spread issues, it has several shortcomings: it fails to evaluate equipment not included in the sample, provides only a one-time validation of equipment operation, and the standard documentation is a simple checklist of pass/fail questions. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. This presentation highlights the advantages offered by automated functional testing in this critical laboratory setting: (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with Connected Commissioning and the important conversations with key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗

Symposium (International) on Combustion, 20th, University of Michigan, Ann Arbor, MI, August 12-17, 1984, Proceedings

The present conference on combustion phenomena considers topics in automotive engine combustion, turbulent reacting flows, the modeling of practical combustion systems, reaction kinetics, combustion-generated particulates, combustion diagnostics, coal combustion process characteristics, fire-related phenomena, explosion/detonation phenomena, spray combustion, ignition/extinction, laminar flames, pollutant formation processes, practical combustor devices, and rocket propellant combustion. Attention is given to the contributions of combustion science to piston engine design, modeling and measurement techniques for turbulent combustion, the specific effects of energy, collisions, and transport processes in combustion chemistry kinetics, the formation of large molecules, particulates and ions in premixed hydrocarbon flames, the application of laser diagnostics to combustion systems, spark ignition energies for dust-air mixtures, the controlling mechanisms of flow-assisted flame spread, the ignition and combustion of coal-water slurries, spontaneous ignition of methane, turbulent and accelerating dust flames, and the temperature sensitivity of double base propellants.

Source record↗

Diagnostic imaging applications; Proceedings of the Meeting, Amsterdam, Netherlands, October 8, 9, 1984

It is more important than ever that engineers have an understanding of the future needs of clinical and research medicine, and that physicians know somthing about probable future developments in instrumentation capabilities. Only by maintaining such a dialog can the most effective application of technological advances to medicine be achieved. This workshop attempted to provide this kind of information transfer in the limited field of diagnostic imaging. Biomedical research at the Jet Propulsion Laboratory is discussed, taking into account imaging results from space exploration missions, as well as biomedical research tasks based in these technologies. Attention is also given to current and future indications for magnetic resonance in medicine, high speed quantitative digital microscopy, computer processing of radiographic images, computed tomography and its modern applications, position emission tomography, and developments related to medical ultrasound.

Beckenbach, E. S.↗

Optical Diagnostic System for Solar Sails: Phase 1 Final Report

NASA's In-Space Propulsion program recently selected AEC-ABLE Engineering and L'Garde, Inc. to develop scale-model solar sail hardware and demonstrate its functionality on the ground. Both are square sail designs with lightweight diagonal booms (<100 g/m) and ultra-thin membranes (<10 g/sq m). To support this technology, the authors are developing an integrated diagnostics instrumentation package for monitoring solar sail structures such as these in a near-term flight experiment. We refer to this activity as the "Optical Diagnostic System (ODS) for Solar Sails" project. The approach uses lightweight optics and photogrammetric techniques to measure solar sail membrane and boom shape and dynamics, thermography to map temperature, and non-optical sensors including MEMS accelerometers and load cells. The diagnostics package must measure key structural characteristics including deployment dynamics, sail support tension, boom and sail deflection, boom and sail natural frequencies, sail temperature, and sail integrity. This report summarizes work in the initial 6-month Phase I period (conceptual design phase) and complements the final presentation given in Huntsville, AL on January 14, 2004.

Pappa, Richard S.↗

System Modeling and Diagnostics for Liquefying-Fuel Hybrid Rockets

A Hybrid Combustion Facility (HCF) was recently built at NASA Ames Research Center to study the combustion properties of a new fuel formulation that burns approximately three times faster than conventional hybrid fuels. Researchers at Ames working in the area of Integrated Vehicle Health Management recognized a good opportunity to apply IVHM techniques to a candidate technology for next generation launch systems. Five tools were selected to examine various IVHM techniques for the HCF. Three of the tools, TEAMS (Testability Engineering and Maintenance System), L2 (Livingstone2), and RODON, are model-based reasoning (or diagnostic) systems. Two other tools in this study, ICS (Interval Constraint Simulator) and IMS (Inductive Monitoring System) do not attempt to isolate the cause of the failure but may be used for fault detection. Models of varying scope and completeness were created, both qualitative and quantitative. In each of the models, the structure and behavior of the physical system are captured. In the qualitative models, the temporal aspects of the system behavior and the abstraction of sensor data are handled outside of the model and require the development of additional code. In the quantitative model, less extensive processing code is also necessary. Examples of fault diagnoses are given.

Poll, Scott↗

Strategies for adding adaptive learning mechanisms to rule-based diagnostic expert systems

Rule-based diagnostic expert systems can be used to perform many of the diagnostic chores necessary in today's complex space systems. These expert systems typically take a set of symptoms as input and produce diagnostic advice as output. The primary objective of such expert systems is to provide accurate and comprehensive advice which can be used to help return the space system in question to nominal operation. The development and maintenance of diagnostic expert systems is time and labor intensive since the services of both knowledge engineer(s) and domain expert(s) are required. The use of adaptive learning mechanisms to increment evaluate and refine rules promises to reduce both time and labor costs associated with such systems. This paper describes the basic adaptive learning mechanisms of strengthening, weakening, generalization, discrimination, and discovery. Next basic strategies are discussed for adding these learning mechanisms to rule-based diagnostic expert systems. These strategies support the incremental evaluation and refinement of rules in the knowledge base by comparing the set of advice given by the expert system (A) with the correct diagnosis (C). Techniques are described for selecting those rules in the in the knowledge base which should participate in adaptive learning. The strategies presented may be used with a wide variety of learning algorithms. Further, these strategies are applicable to a large number of rule-based diagnostic expert systems. They may be used to provide either immediate or deferred updating of the knowledge base.

Stclair, D. C.↗

Plasma confinement state classification via FPP relevant microwave diagnostics

We present a parsimonious and robust machine learning approach for identifying plasma confinement states in fusion power plants (FPPs) where reliable identification of the low-confinement and high-confinement regimes is critical for safe and efficient operation. Unlike research-oriented devices, FPPs must operate with a severely constrained set of diagnostics. To address this challenge, we demonstrate that a minimalist model, using only electron cyclotron emission (ECE) signals, can achieve accurate and reliable state classification. ECE provides electron temperature profiles without the engineering or survivability issues of in-vessel probes, making it a primary candidate for FPP-relevant diagnostics. Our framework employs ECE as input, extracts features using radial basis functions, and applies a gradient boosting classifier, achieving a test accuracy of 96% (correct predictions). Robustness analysis and feature importance analyzes confirm the approach’s reliability. These results demonstrate that state-of-the-art performance is attainable from a restricted diagnostic set, paving the way for minimalist yet resilient plasma control architectures for FPPs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗