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At least 199 records · Page 11

Structural and Dynamical Design Principles for Iron-Sulfur Clusters in Sequence Defined Polymers

This integrated synthetic and computational effort uses sequence defined polymers such as peptoids, and triazines, capable of mimicking a flexible protein environment to control the positioning of side chains around redox cofactors. This strategy will allow modulation of redox properties through both direct and indirect mechanisms. To this end the aim is defined to test the underlying hypothesis: that principles and critical functionalities governing the binding and tuning of naturally occurring electron carrier co-factors can be identified and used to predictably design and synthesize maquettes based on non-natural polymers resulting in new modular biomimetic scaffolds for Electron Transfer Materials. This will be achieved through design and synthesis of ligands that can stabilize iron-sulfur clusters and tune the redox potential based on sequence.

36 MATERIALS SCIENCE↗

AI-Enabled Discovery and Physics-Based Optimization of Energy Efficient Processing Strategies for Advanced Turbine Alloys (Final Technical Report)

In this project, the multi-organizational team of academic and industrial researchers from the University of Kentucky an aerospace and energy generation OEM partner has leveraged novel Digital Process Twin (DPT) models of process/structure interactions (i.e., process-induced surface integrity) to advance a paradigm of fully integrated computational materials engineering (ICME). Using efficient process models as the core of a digital process simulator for a reinforcement learning algorithm, the team has integrated industrial data and metrics of structure/performance/energy relationships and manufacturing-related energy metrics to optimize dynamic processing parameters for significantly improved life-cycle energy efficiency of advanced γ-TiAl low-pressure turbine (LPT) alloys, as indicated by a set of design relevant parameters (e.g., residual stresses and scrap rate). The key objective and anticipated outcome of the project was at least a 10% reduction in life-cycle embodied energy for a recently developed, γ-TiAl low-pressure turbine (LPT) alloy and nickel-based superalloy Inconel 718, through the adoption of the proposed AI-enabled process optimization approach. The final project outcomes significantly exceeded this original target, realizing manufacturing-related energy efficiency improvements of more than 130% for TiAl and up to 80% for Inconel 718. Rather than following the prevailing and highly inefficient empirical paradigm, the proposed study demonstrated the feasibility of adopting a digital, physics-based process design and optimization paradigm. The recurring need for manual intervention, rework, reinspection causes significant production bottlenecks and unnecessary expense associated with delivering the requisite component quality. The OEM partner, and turbine industry in general, expect to reap significant cost and resource savings if an AI-optimized set of parameters can be applied to specific machining operations. The technical scope of the proposed project involved the paving of a realistic path towards model-based and AI-enabled Integrated Computational Materials Engineering (ICME), and away from inefficient empirical process optimization and legacy manufacturing practices, which are no longer able to efficiently process novel high-performance turbine alloy materials. The project team will address the fundamental knowledge gap that currently exists within the ICME paradigm with respect to the process/structure/performance/energy impacts of finishing processes. While significant resources have been devoted to the ‘early stages’ of manufacturing, such as alloy design, primary and secondary processing, finishing processes have not been adequately integrated within ICME. To provide an actionable path towards model-based finishing process design (e.g., machining, burnishing, grinding, polishing), we will employ a novel AI-enabled process optimization paradigm, based on a computationally efficient, physics-based process simulator. Through limited experimental work to calibrate and validate our process simulator model via an advanced in-situ characterization technique and process optimization via reinforcement learning, the project will seek to demonstrate a viable alternative to the inefficient ‘legacy’ processing strategies, empirical testing and broad scope machining learning approaches, all of which fail to adequately consider complex process physics. The project team has identified an intermetallic γ-TiAl LPT alloy, which is currently being used as part of the OEM partner’s advanced gas turbine designs. This particular alloy poses significant manufacturing challenges during finishing operations, which limit the degree to which the current turbine design can be manufactured in an energy- and cost-efficient manner. Empirical testing and numerical modeling efforts to optimize processing parameters for γ-TiAl have not been able to resolve these manufacturing challenges, so the proposed physics-based AI-enabled optimization technology would offer a truly novel and transformative capability. The multi-organizational team of academic and industry experts from the UKY and the OEM partner will work together closely to demonstrate the analytical and experimental critical function and characteristic proof of concept of this novel approach.

20 FOSSIL-FUELED POWER PLANTS↗

Influence of Microbial Membranes on Biofilm Formation, Scaling Reactions, and Production Chemistry in Engineered Energy Systems (Final Report)

Humans are engineering the deep subsurface for the purposes of energy-capture, energy-storage, and environmental mitigation. Despite the potential for microbial communities to significantly alter the effectiveness of these technologies, we have historically lacked a clear understanding of how microbial cells interact in a fractured shale system. Existing knowledge has been heavily based on genomic information, lacking studies on in situ physiologies, kinetic rates, and attachment mechanisms governing biogeochemical reactions in the system. The overarching goal of this research was to advance understanding of engineered hydrocarbon extraction systems as they evolve from newly developed environments to mature use. Plasma membranes protect microbial cells, mediate many critical functions, and respond to intracellular cues and ecological perturbations through physicochemical modifications. The project objectives were to 1) characterize variables influencing growth and membrane features of shale taxa, 2) characterize the interactions between shale matrices and microorganisms and 3) elucidate engineered and environmental processes driving biogeochemical signatures at the field scale. Objectives were realized through laboratory experiments involving growth of pure cultures and enrichments in continuous culture and biofilms; access to samples from two DOE-NETL funded energy-capture sites: Marcellus Shale Energy and Environmental Laboratory (MSEEL and MSEEL II); and through collaborations with scientists and engineers at the Environmental Molecular Science Laboratory (EMSL) and National Energy Technology Laboratory (NETL). Key findings showed (a) Halanaerobium congolense WG10 makes its membrane more fluid and thicker through increasing its polyunsaturated fatty acid (PUFA) composition under non-optimal salinities (7% and 20%) compared to the optimum (13% NaCl); (b) anionic phospholipids within the plasma membrane are important for high salinity tolerance in H. congolense WG10 while zwitterionic species modulate biofilm physiologies in both isolate and mixed cultures, and (c) tyrosine accumulation with overexpression of Na+/H+ antiporters are essential for osmoprotection in H. congolense WG10 under high salinity while upregulation of aromatic amino acid synthesis and cell envelope maintenance underpin biofilm formation. It is clear from these results that microbial persistence in fractured shale reservoirs under environmental and engineered perturbations requires strategic plasma membrane lipid chemistry adjustments and metabolic restructuring, with implications for improved shale microbiology management and more efficient hydrocarbon extraction approaches targeting microorganisms.

03 NATURAL GAS↗

Living-off-the-land Techniques Unlikely to Supplant Energy Sector-Focused OT-Specific Malware

Despite increased reports of energy sector-focused threat actors using living-off-the-land (LOTL) techniques, it is unlikely LOTL techniques will wholly supplant malware in energy sector operational technology (OT)-focused cyber operations. Threat actors leverage LOTL techniques to access energy sector networks, abstracting process information and maintaining persistence. Although threat actors using LOTL techniques have successfully interrupted energy sector industrial control environments, designed features of OT-specific malware likely increase the cyber-physical impact of an attack and delay recovery of critical functions and services. Malicious actors will very likely continue to use LOTL techniques for stealth, while designing malware to bolster final impacts on cyber-physical systems in energy sector OT environments.

99 GENERAL AND MISCELLANEOUS↗

Case Studies in Leveraging Performance Contracts for Resilience Projects

The resilience of federal facilities has become increasingly important among lawmakers, agency leadership, and the American public as high impact natural hazards occur more frequently over time. Resilience is broadly defined as the ability of a federal facility to withstand, respond to, and recover rapidly from disruptions to maintain critical functions. The Department of Energy (DOE) Federal Energy Management Program (FEMP) was codified to facilitate the strengthening of federal energy and water efficiency and resilience. Performance contracting is one of the mechanisms through which federal agencies can finance projects at their facilities, but resilience improvement measures do not always result in utility cost savings, which are the primary driver behind performance contracts. This report provides example cases where performance contracts, specifically energy savings performance contracts (ESPC) or utility energy service contracts (UESCs), were used to implement a resilience measure at a federal facility.

99 GENERAL AND MISCELLANEOUS↗

Precursor Analysis Report: Conti Ransomware Attack on the Health Service Executive of Ireland 2021

The Conti Ransomware Attack on the Health Service Executive (HSE) of Ireland 2021 Precursor Analysis Report leverages publicly available information about the attack and catalogs anomalous observables for each technique employed by the adversary. This analysis is based upon the methodology of the Cybersecurity for the Operational Technology Environment (CyOTE) program. The HSE provides public healthcare corporate services and operational services throughout Ireland, with critical functions including the acute national ambulance service, acute hospital service, and community healthcare service. On 14 May 2021, Conti ransomware encrypted 80 percent of the HSE’s Information Technology (IT) infrastructure across corporate, hospital, community, and electronic health record services. Conti is a ransomware-as-a-service operation that encrypts local files, uses double extortion against victims, and is facilitated by many intrusion tools. The attack forced the HSE to shut down its entire IT infrastructure to contain the ransomware, forcing employees to revert to pen and paper recordkeeping and leading to the cancellation of many appointments and procedures. The adversary also exfiltrated 700 GB of data, compromising the confidentiality of patients’ protected health information. Had the adversary targeted the COVID-19 cloud systems or operational technology assets, such as Internet of Medical Things medical devices or smart building management systems, the impact of the attack would almost certainly have been far more severe. Researchers and analysts identified 21 unique techniques (used in a sequence of 23 steps) likely utilized during the attack with a total of 1,185 observables using MITRE ATT&CK® for Industrial Control Systems. The CyOTE program assesses observables accompanying techniques used prior to the triggering event to identify opportunities to detect malicious activity. If observables accompanying the attack techniques are perceived and investigated prior to the triggering event, earlier comprehension of malicious activity can take place. Twenty-one of the identified techniques used during the attack on the HSE were precursors to the triggering event. Analysis identified 1,086 observables associated with these precursor techniques, 850 of which were assessed to have an increased likelihood of being perceived in the 57 days preceding the triggering event. The response and comprehension time could have been reduced if the observables had been identified earlier. The information gathered in this report contributes to a library of observables tied to a repository of artifacts, data sources, and technique detection references for practitioners and developers to support the comprehension of indicators of attack. Asset owners and operators can use these products if they experience similar observables or to prepare for comparable scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Neutralizing epitopes on Clostridioides difficile toxin A revealed by the structures of two camelid VHH antibodies

Toxin A (TcdA) and toxin B (TcdB) are two key virulence factors secreted by Clostridioides difficile, which is listed as an urgent threat by the CDC. These two large homologous exotoxins are mainly responsible for diseases associated with C. difficile infection (CDI) with symptoms ranging from diarrhea to life threatening pseudomembranous colitis. Single-domain camelid antibodies (VHHs) AH3 and AA6 are two potent antitoxins against TcdA, which when combined with two TcdB-targeting VHHs showed effective protection against both primary and recurrent CDI in animal models. Here, we report the co-crystal structures of AH3 and AA6 when they form complexes with the glucosyltransferase domain (GTD) and a fragment of the delivery and receptor-binding domain (DRBD) of TcdA, respectively. Based on these structures, we find that AH3 binding enhances the overall stability of the GTD and interferes with its unfolding at acidic pH, and AA6 may inhibit the pH-dependent conformational changes in the DRBD that is necessary for pore formation of TcdA. These studies reveal two functionally critical epitopes on TcdA and shed new insights into neutralizing mechanisms and potential development of epitope-focused vaccines against TcdA.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling the Influenza A NP-vRNA-Polymerase Complex in Atomic Detail

Seasonal flu is an acute respiratory disease that exacts a massive toll on human populations, healthcare systems and economies. The disease is caused by an enveloped Influenza virus containing eight ribonucleoprotein (RNP) complexes. Each RNP incorporates multiple copies of nucleoprotein (NP), a fragment of the viral genome (vRNA), and a viral RNA-dependent RNA polymerase (POL), and is responsible for packaging the viral genome and performing critical functions including replication and transcription. A complete model of an Influenza RNP in atomic detail can elucidate the structural basis for viral genome functions, and identify potential targets for viral therapeutics. In this work we construct a model of a complete Influenza A RNP complex in atomic detail using multiple sources of structural and sequence information and a series of homology-modeling techniques, including a motif-matching fragment assembly method. Our final model provides a rationale for experimentally-observed changes to viral polymerase activity in numerous mutational assays. Further, our model reveals specific interactions between the three primary structural components of the RNP, including potential targets for blocking POL-binding to the NP-vRNA complex. The methods developed in this work open the possibility of elucidating other functionally-relevant atomic-scale interactions in additional RNP structures and other biomolecular complexes.

59 BASIC BIOLOGICAL SCIENCES↗

A Systematic Approach to Developing Sustainable Post-Disaster Shelters in the Southern Region of the United States

This study aims to propose a sustainable shelter design involving energy savings, less environmental impact, and rapid construction. The structural design of the shelter is based on 3D-printing technology. Sustainability assessments, including life cycle analysis (LCA), life cycle energy assessment (LCEA), and energy justice of the designed shelter, were conducted to prove the sustainable shelter design. The outcomes of this study for several scenarios will not only allow decision-makers to design permanent shelters with maximized utilization of limited resources but also help local communities strengthen their ability to recover with minimal outside assistance post-disaster. Furthermore, residents can utilize the sustainable shelter to maintain critical functions, including business continuity and local business in emergencies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Parametric analysis of RF communications and tracking systems for manned space stations

System performance, system interface compatibility, and system management and operations are analyzed for external and internal communications provided by the modular space station. Mathematical models are utilized to evaluate performances of the various communication links between the MSS and the tracking and data relay satellites, the shuttle, and the ground stations. Communication control design requirements are determined from overall MSS control design and checkout requirements are developed in a related systems study. Parallel design efforts consider equipment configurations for the external communication assembly baseband and the internal communication assembly to accommodate signal transfer and control. The recommended baseline design considers also interfaces between equipment groups and the critical functional and signal characteristics of these interfaces. The data processing assembly has direct communication circuits to the external communication assembly and the control interface is provided via a digital data bus and a remote acquisition and control unit.

Source record↗

Signal design study for shuttle/TDRSS Ku-band uplink

The adequacy of the signal design approach chosen for the TDRSS/orbiter uplink was evaluated. Critical functions and/or components associated with the baseline design were identified, and design alternatives were developed for those areas considered high risk. A detailed set of RF and signal processing performance specifications for the orbiter hardware associated with the TDRSS/orbiter Ku band uplink was analyzed. Performances of a detailed design of the PN despreader, the PSK carrier synchronization loop, and the symbol synchronizer are identified. The performance of the downlink signal by means of computer simulation to obtain a realistic determination of bit error rate degradations was studied. The three channel PM downlink signal was detailed by means of analysis and computer simulation.

Source record↗

DSS 13 antenna subsystem automation

Unattended station operation was implemented that permitted full operational control from the network operations center (NOCC). Sensors were installed in the mechanical subsystem to monitor critical functions and to permit automated premission checkout of the subsystem, automated reaction to component failure, and identification of failed components under control of the antenna pointing computer. This monitoring installation is a prototype for monitoring equipment to be installed throughout the DSN.

Phillips, H.↗

Space shuttle orbiter rudder/speedbrake actuation system

A mechanical hydraulic actuation system for control of the rudder and speedbrake aerosurfaces of the space shuttle orbiter was developed to meet the strict operational requirements imposed on this flight critical function. The requirements, hardware configuration, development experience, and test program accomplished in the evolution of this system are described.

Woolhouse, D.↗

High voltage systems (tube-type microwave)/low voltage system (solid-state microwave) power distribution

SPS satellite power distribution systems are described. The reference Satellite Power System (SPS) concept utilizes high-voltage klystrons to convert the onboard satellite power from dc to RF for transmission to the ground receiving station. The solar array generates this required high voltage and the power is delivered to the klystrons through a power distribution subsystem. An array switching of solar cell submodules is used to maintain bus voltage regulation. Individual klystron dc voltage conversion is performed by centralized converters. The on-board data processing system performs the necessary switching of submodules to maintain voltage regulation. Electrical power output from the solar panels is fed via switch gears into feeder buses and then into main distribution buses to the antenna. Power also is distributed to batteries so that critical functions can be provided through solar eclipses.

Nussberger, A. A.↗

Design and verification of a multiple fault tolerant control system for STS applications using computer simulation

General Dynamics/Convair is under NASA contract to integrate the Centaur upper stage into the space transportation system for future planetary missions. This requires that control of all safety critical functions be two-failure tolerant. The control system developed consists of five asynchronous computers, each contributing at their outputs to a 3-out-of-5 voting plane. Subsystem control is based on an end function redundancy management scheme. Analysis of multiple component failures and worst-case time-phase asynchrony among the computers is performed by a real-time computer simulation. The simulation emulates the hardware and subsystem interfaces, wire by wire, providing assessibility to any component for the insertion of preprogrammed failures. Observability is provided via a graphics system and diagnostic software. The simulation provides an engineering tool where the integrity of control system hardware and imbedded software can be demonstrated.

Szatkowski, G. P.↗

Real-time computer simulation/emulation for verification of multi-fault-tolerant control of Centaur-in-Shuttle

NASA has contracted with General Dynamics to design and develop an advanced Centaur liquid upper stage for support of the Galileo and Solar Polar interplanetary missions in 1985-86. The control of the Centaur while it resides in the Shuttle cargo bay must meet the STS safety requirements to be dual failure tolerant in all mission critical functions. The demonstration of the integrity of this control system in the event of multiple component failures and worst-case time-phase asynchroniety among the system's computers is performed by a real-time computer simulation. The simulation emulates the control hardware, subsystem interfaces, and imbedded software processes, wire-by-wire, to provide accessibility for fault insertion. Observability is provided via graphics and diagnostic software. Verification is the product of Monte Carlo simulation analysis.

Szatkowski, G. P.↗

Assessment of flywheel energy storage for spacecraft power systems

The feasibility of inertial energy storage in a spacecraft power system is evaluated on the basis of a conceptual integrated design that encompasses a composite rotor, magnetic suspension, and a permanent magnet (PM) motor/generator for a 3-kW orbital average payload at a bus distribution voltage of 250 volts dc. The conceptual design, which evolved at the Goddard Space Flight Center (GSFC), is referred to as a Mechanical Capacitor. The baseline power system configuration selected is a series system employing peak-power-tracking for a Low Earth-Orbiting application. Power processing, required in the motor/generator, provides a potential alternative configurations that can only be achieved in systems with electrochemical energy storage by the addition of power processing components. One such alternative configuration provides for peak-power-tracking of the solar array and still maintains a regulated bus, without the expense of additional power processing components. Precise speed control of the two counterrotating wheels is required to reduce interaction with the attitude control system (ACS) or alternatively, used to perform attitude control functions. Critical technologies identified are those pertaining to the energy storage element and are prioritized as composite wheel development, magnetic suspension, motor/generator, containment, and momentum control. Comparison with a 3-kW, 250-Vdc power system using either NiCd or NiH2 for energy storage results in a system in which inertial energy storage offers potential advantages in lifetime, operating temperature, voltage regulation, energy density, charge control, and overall system weight reduction.

Rodriguez, G. E.↗

Development and analysis of the Software Implemented Fault-Tolerance (SIFT) computer

SIFT (Software Implemented Fault Tolerance) is an experimental, fault-tolerant computer system designed to meet the extreme reliability requirements for safety-critical functions in advanced aircraft. Errors are masked by performing a majority voting operation over the results of identical computations, and faulty processors are removed from service by reassigning computations to the nonfaulty processors. This scheme has been implemented in a special architecture using a set of standard Bendix BDX930 processors, augmented by a special asynchronous-broadcast communication interface that provides direct, processor to processor communication among all processors. Fault isolation is accomplished in hardware; all other fault-tolerance functions, together with scheduling and synchronization are implemented exclusively by executive system software. The system reliability is predicted by a Markov model. Mathematical consistency of the system software with respect to the reliability model has been partially verified, using recently developed tools for machine-aided proof of program correctness.

Goldberg, J.↗