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At least 1,477 records · Page 82

Quantifying a partial polyamorphic transition in a cerium-based metallic glass during cooling

Cerium-based metallic glasses are prototype polyamorphous systems with pressure-induced polyamorphic transitions extensively reported. Cooling typically has a similar effect on materials as compression with regard to reducing volume. However, previous studies show dramatically different behavior of Ce-based metallic glasses between cooling and compression, whose origin remains unclear. Here, using in situ low-temperature synchrotron high-energy x-ray diffraction, the structural evolution of a Ce68Al10Cu20Co2 metallic glass is accurately determined and analyzed by a structure factor and a reduced pair distribution function (PDF) during cooling from 298 to 83 K. An unusually large linear thermal expansion coefficient is revealed, which is associated with both continuous but inconsistent structural changes between the two subpeaks of the first atomic shell in terms of average bond lengths and coordination numbers. These phenomena are suggested to be attributed to a gradual 4f electron delocalization of only a minimal amount (∼2.6% at 83 K) of Ce atoms by quantitative analysis of the PDF data. However, a previously expected global polymorphic transition from a low-density amorphous state to a high-density amorphous state with an abrupt volume collapse is not observed. Moreover, electrical resistivity also shows a continuous increase during cooling without any sharp change. It is clarified that cryogenic temperatures could facilitate but are not powerful enough alone to trigger a global polymorphic transition in the Ce68Al10Cu20Co2 metallic glass, suggesting a wide distribution of its local atomic environment.

Chen, Zhi↗

Wind Tunnel Management and Resource Optimization: A Systems Modeling Approach

Time, money, and, personnel are becoming increasingly scarce resources within government agencies due to a reduction in funding and the desire to demonstrate responsible economic efficiency. The ability of an organization to plan and schedule resources effectively can provide the necessary leverage to improve productivity, provide continuous support to all projects, and insure flexibility in a rapidly changing environment. Without adequate internal controls the organization is forced to rely on external support, waste precious resources, and risk an inefficient response to change. Management systems must be developed and applied that strive to maximize the utility of existing resources in order to achieve the goal of "faster, cheaper, better". An area of concern within NASA Langley Research Center was the scheduling, planning, and resource management of the Wind Tunnel Enterprise operations. Nine wind tunnels make up the Enterprise. Prior to this research, these wind tunnel groups did not employ a rigorous or standardized management planning system. In addition, each wind tunnel unit operated from a position of autonomy, with little coordination of clients, resources, or project control. For operating and planning purposes, each wind tunnel operating unit must balance inputs from a variety of sources. Although each unit is managed by individual Facility Operations groups, other stakeholders influence wind tunnel operations. These groups include, for example, the various researchers and clients who use the facility, the Facility System Engineering Division (FSED) tasked with wind tunnel repair and upgrade, the Langley Research Center (LaRC) Fabrication (FAB) group which fabricates repair parts and provides test model upkeep, the NASA and LARC Strategic Plans, and unscheduled use of the facilities by important clients. Expanding these influences horizontally through nine wind tunnel operations and vertically along the NASA management structure greatly increases the complexity of developing a model that can be used for successfully implementing a standardized management planning tool. The objective of this study was to implement an Integrated Wind Tunnel Planning System to improve the operations within the aeronautics testing and research group, in particular Wind Tunnel Enterprise. The study included following steps: Conducted literature search and expert discussions (NASA and Old Dominion University faculty), Performed environmental scan of NASA Langley wind tunnel operations as foundation for problem definition. Established operation requirements and evaluation methodologies. Examined windtunnel operations to map out the common characteristics, critical components, and system structure. Reviewed and evaluated various project scheduling and management systems for implementation, Evaluated and implemented "Theory of Constraints (TOC)" project scheduling methodology at NASA Langley wind tunnel operations together with NASA staff.

Jacobs, Derya, A.↗

Extending the LWS Data Environment: Distributed Data Processing and Analysis

The final stages of this work saw changes to the original framework, as well as the completion and integration of several data processing services. Initially, it was thought that a peer-to-peer architecture was necessary to make this work possible. The peer-to-peer architecture provided many benefits including the dynamic discovery of new services that would be continually added. A prototype example was built and while it showed promise, a major disadvantage was seen in that it was not easily integrated into the existing data environment. While the peer-to-peer system worked well for finding and accessing distributed data processing services, it was found that its use was limited by the difficulty in calling it from existing tools and services. After collaborations with members of the data community, it was determined that our data processing system was of high value and that a new interface should be pursued in order for the community to take full advantage of it. As such; the framework was modified from a peer-to-peer architecture to a more traditional web service approach. Following this change multiple data processing services were added. These services include such things as coordinate transformations and sub setting of data. Observatory (VHO), assisted with integrating the new architecture into the VHO. This allows anyone using the VHO to search for data, to then pass that data through our processing services prior to downloading it. As a second attempt at demonstrating the new system, a collaboration was established with the Collaborative Sun Earth Connector (CoSEC) group at Lockheed Martin. This group is working on a graphical user interface to the Virtual Observatories and data processing software. The intent is to provide a high-level easy-to-use graphical interface that will allow access to the existing Virtual Observatories and data processing services from one convenient application. Working with the CoSEC group we provided access to our data processing tools from within their software. This now allows the CoSEC community to take advantage of our services and also demonstrates another means of accessing our system.

Narock, Thomas↗

The Great Geospace Observatory and Simultaneous Missions of Opportunity

A predictive understanding of the sun to geospace environment is one of the main goals of ILWS. This can only be achieved through a "system-level" approach, meaning long-term, simultaneous, continuous observations across the relevant scales of the magnetosphere and ionosphere/thermosphere (IT). To date such an approach, which must involve simultaneous, multi-scale, global imaging of different geospace regions, has not been carried out for a complete geomagnetic storm. Such imagery, now routine for the Solar community, is of critical scientific importance and captures public imagination. Its absence in geospace studies has limited the growth and impact of geospace science. In this presentation, we discuss a concept called the Great Geospace Observatory, which would involve coordinated geospace imaging through an international effort of multiple, simultaneous Missions of Opportunity. In this way, the cost would be spread among different agencies as well as putting remote sensors in vantage points optimized for each type of imaging. 24/7 auroral imaging from weather satellites on Molniya (or similar) orbits, EUV imaging of the plasmasphere from high-inclination orbits, continuous and global ENA imaging from geosynchronous commercial satellites, and continuous X-ray imaging of the cusp and magnetosheath from a high-altitude dedicated probe would quantitatively track system-level dynamics at through substorms, sawtooth events, steady magnetospheric convection, and storms; studying energy and mass coupling between the solar wind, magnetosphere, and the upper atmosphere. In our minds, The Great Geospace Observatory represents the next strategic step for ILWS and needs to be seriously considered.

Donovan, Eric↗

The Great Geospace Observatory and Simultaneous Missions of Opportunity

A predictive understanding of the sun to geospace environment is one of the main goals of ILWS. This can only be achieved through a "system-level" approach, meaning long-term, simultaneous, continuous observations across the relevant scales of the magnetosphere and ionosphere/thermosphere (IT). To date such an approach, which must involve simultaneous, multi-scale, global imaging of different geospace regions, has not been carried out for a complete geomagnetic storm. Such imagery, now routine for the Solar community, is of critical scientific importance and captures public imagination. Its absence in geospace studies has limited the growth and impact of geospace science. In this presentation, we discuss a concept called the Great Geospace Observatory, which would involve coordinated geospace imaging through an international effort of multiple, simultaneous Missions of Opportunity. In this way, the cost would be spread among different agencies as well as putting remote sensors in vantage points optimized for each type of imaging. 24/7 auroral imaging from weather satellites on Molniya (or similar) orbits, EUV imaging of the plasmasphere from high-inclination orbits, continuous and global ENA imaging from geosynchronous commercial satellites, and continuous X-ray imaging of the cusp and magnetosheath from a high-altitude dedicated probe would quantitatively track system-level dynamics at through substorms, sawtooth events, steady magnetospheric convection, and storms; studying energy and mass coupling between the solar wind, magnetosphere, and the upper atmosphere. In our minds, The Great Geospace Observatory represents the next strategic step for ILWS and needs to be seriously considered.

Donovan, Eric↗

Threat Hunt Guide for BESS Environments

The rapid digitalization of the electric grid - driven by the integration of inverter-based resources (IBRs), battery energy storage systems (BESS), and advanced grid control platforms - has significantly enhanced grid efficiency, visibility, and flexibility. However, this evolution also introduces new cybersecurity risks, particularly through supply chain dependencies and operational blind spots at the grid edge. To address these challenges, Idaho National Laboratory (INL), through the Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) Rapid Risk initiative, conducted a series of rapid risk assessment engagements with energy organizations across the United States. Drawing on lessons learned from these engagements, INL developed the following threat hunting guide for asset owners and operators (AOOs) to enhance their cybersecurity visibility within BESS and IBR systems. The guide demonstrates how to use passive network monitoring to baseline device behavior, detect adversarial activity, and investigate anomalies without disrupting operations. By implementing these practices, energy sector stakeholders can improve coordination between cybersecurity and operations teams and strengthen the resilience of distributed energy resources (DERs) within the modern power grid. Prior to implementing any network monitoring, packet capture, or threat hunting activity described in this guide, AOOs are strongly advised to review applicable governance frameworks, legal requirements, and organizational policies. This guide is intended for informational and educational purposes only. It does not replace compliance with any federal, state, or local cybersecurity mandates or industry standards. Implementation of described configurations, technologies, or analytic workflows is performed at the discretion and responsibility of the asset owner and operator.

25 - ENERGY STORAGE↗

Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides

The oxygen stacking of O3-type layered sodium transition metal oxides (O3-NaTMO 2 ) changes dynamically upon topotactic Na extraction and reinsertion. While the phase transition from octahedral to prismatic Na coordination that occurs at intermediate desodiation by transition metal slab gliding is well understood, the structural evolution at high desodiation, crucial to achieve high reversible capacity, remains mostly uncharted. In this work, the phase transitions of O3-type layered NaTMO 2 at high voltage are investigated by combining experimental and computational approaches. An OP2-type phase that consists of alternating octahedral and prismatic Na layers is directly observed by in situ X-ray diffraction and high-resolution scanning transmission electron microscopy. The origin of this peculiar phase is explained by atomic interactions involving Jahn–Teller active Fe 4+ and distortion tolerant Ti 4+ that stabilize the local Na environment. Finally, the path-dependent desodiation and resodiation pathways are also rationalized in this material through the different kinetics of the prismatic and octahedral layers, presenting a comprehensive picture about the structural stability of the layered materials upon Na intercalation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analytical expression of a finite, long, conical canted-cosine-theta coil for particle collider interaction regions

Magnets in the accelerator interaction region (IR) present significant challenges because of high field requirements and limited available space. Conical-shaped magnets offer advantages in these environments by allowing closer placement to the interaction point while maintaining clearance from synchrotron radiation. Interestingly, numerical studies have shown that conical canted-cosine-theta (CCT) designs produce a constant field distribution along the axial direction in the IR quadrupoles for the Electron-Ion Collider (EIC) at Brookhaven National Laboratory. However, the field harmonics generated by conical CCT windings are not yet fully understood. This paper presents an analytical approach to describe the magnetic field produced by a conical surface current and proposes a method for designing conical CCT magnets for accelerator applications. First, we begin with a surface current sheet having a general cosine-theta distribution in spherical coordinates and solve the vector potential using the Green’s function. The magnetic fields generated by the conical current sheet are expressed using associated Legendre polynomials. These results are then related to circular field harmonics and integral field harmonics for designing a coil that produces a pure multipole field. Next, a single layer of the conical CCT winding path is produced based on the cosine-theta current distribution. Finally, the magnetic field quality of dipole and quadrupole conical CCT coils with multiple layers is verified using the Biot-Savart law.

Yang, Ye↗

Using Transom Jack in the Human Engineering Analysis of the Materials Science Research Rack-1 and Quench Module Insert

This paper describes the human engineering analysis performed on the Materials Science Research Rack-1 and Quench Module Insert (MSRR-1/QMI) using Transom Jack (Jack) software. The Jack software was used to model a virtual environment consisting of the MSRR-1/QMI hardware configuration and human figures representing the 95th percentile male and 5th percentile female. The purpose of the simulation was to assess the human interfaces in the design for their ability to meet the requirements of the Pressurized Payloads Interface Requirements Document - International Space Program, Revision C (SSP 57000). Jack was used in the evaluation because of its ability to correctly model anthropometric body measurements and the physical behavior of astronauts working in microgravity, which is referred to as the neutral body posture. The Jack model allows evaluation of crewmember interaction with hardware through task simulation including but not limited to collision avoidance behaviors, hand/eye coordination, reach path planning, and automatic grasping to part contours. Specifically, this virtual simulation depicts the human figures performing the QMI installation and check-out, sample cartridge insertion and removal, and gas bottle drawer removal. These tasks were evaluated in terms of adequate clearance in reach envelopes, adequate accessibility in work envelopes, appropriate line of sight in visual envelopes, and accommodation of full size range for male and female stature maneuverability. The results of the human engineering analysis virtual simulation indicate that most of the associated requirements of SSP 57000 were met. However, some hardware design considerations and crew procedures modifications are recommended to improve accessibility, provide an adequate work envelope, reduce awkward body posture, and eliminate permanent protrusions.

Dunn, Mariea C.↗

Electrodynamic Dust Shield for Space Applications

Dust mitigation technology has been highlighted by NASA and the International Space Exploration Coordination Group (ISECG) as a Global Exploration Roadmap (GER) critical technology need in order to reduce life cycle cost and risk, and increase the probability of mission success. The Electrostatics and Surface Physics Lab in Swamp Works at the Kennedy Space Center has developed an Electrodynamic Dust Shield (EDS) to remove dust from multiple surfaces, including glass shields and thermal radiators. Further development is underway to improve the operation and reliability of the EDS as well as to perform material and component testing outside of the International Space Station (ISS) on the Materials on International Space Station Experiment (MISSE). This experiment is designed to verify that the EDS can withstand the harsh environment of space and will look to closely replicate the solar environment experienced on the Moon.

Dust mitigation↗

Behavioral Assessment of Spaceflight Effects on Neurocognitive Performance: Extent and Longevity

Exposure to the microgravity environment during spaceflight missions impacts crewmembers' sensorimotor function. Bock et al. [1] studied the cognitive demands of human sensorimotor performance and dual tasking during long duration missions and concluded that both stress and scarcity of cognitive resources required for sensorimotor adaptation may be responsible for these deficits during spaceflight. Therefore, in consideration of the health and performance of crewmembers in- and post-flight, we are conducting this study to investigate the effects of spaceflight on the extent, longevity and neural bases of sensorimotor, cognitive, and neural changes. The data presented will focus on the behavioral measures that were collected pre-, in- and post-flight including spatial cognition, processing speed, bimanual coordination, functional mobility, computerized dynamic posturography (CDP), and vibrotactile induced vestibular evoked myogenic potential (VEMP). To date, data were collected over the course of two pre-flight sessions and four post-flight sessions on five crewmembers (n=13) using the protocol described in Koppelmans et al. [2]. Balance control was assessed using CDP, with eyes closed and a sway-referenced base of support (Sensory Organization Test 5), with and without head movements in the pitch plane. Spatial working memory was assessed using Thurston's Card Rotation Test and a Mental Rotation Test. The Rod and Frame Test was performed to test visual dependence. The Digit Symbol Substitution Test was performed to evaluate processing speed, and the Purdue Pegboard Task was performed to test bimanual coordination. Vestibular function was assessed by eliciting ocular VEMP via a hand held striker on the side of the head as subjects lay supine on a gurney. Subjects also performed the Functional Mobility Test of walking through an obstacle course to assess rate of early motor learning. Data were also collected on the same crewmembers during three in-flight sessions on the International Space Station (ISS). In-flight, spatial working memory was assessed using the Mental Rotation Test, adaptation to visuo-motor transformation in manual control was assessed using the Sensorimotor Adaptation Test, and multi-tasking ability was assessed using the Dual Task Test. These three tests were performed in a strapped-in configuration mimicking a seated position - waist bungees pulled the crewmember toward the "floor" with feet secured in foot loops. The Mental Rotation Test was also performed in a free-floating configuration while the crewmember floated while holding on to the gamepad controller used to provide input that was secured to the equipment rack on the ISS. Preliminary findings from data collected to date, will be included in the presentation. Eventual comparison to results from supporting bed rest and longitudinal studies will enable the parsing out of the multiple mechanisms contributing to any observed spaceflight-induced sensorimotor and cognitive behavioral changes.

De Dios, Y. E.↗

MH-1A Sturgis Decommissioning and Dismantlement - 20281

The U.S. Army Corps of Engineers (USACE) with its prime contractor, Aptim Federal Services, LLC (APTIM), recycled 5,260 metric tons (11.6 million pounds) of material from Sturgis Barge (Sturgis) during the Decommissioning and Dismantlement of the MH-1A nuclear power reactor. The overall objective of the project was to reduce residual radioactivity associated with MH-1A to levels that permitted release of Sturgis for dismantlement and termination of the Army Reactor Office permit. By effectively applying waste hierarchy's three Rs - reduce, reuse and recycle - the Sturgis project not only minimized the amount of waste that required disposal at landfills, but also reduced the potential for long-term environmental liability emanating from these landfills. The project team completed the physical decommissioning efforts in June 2018 in Galveston, TX. In September 2018, radiological surveys were completed to demonstrate the vessel could be released for shipbreaking. Sturgis was towed from Galveston, TX to Brownsville, TX in late September 2018. Shipbreaking, dismantlement and recycling efforts began in early October 2018 and were completed on 15 March 2019. As part of the decommissioning effort in Galveston, the team shipped 69 shipments (860 metric tons) of low-level radioactive waste and radioactive components to the Waste Control Specialist (WCS) facility in Andrews TX for disposal. Certain radioactive components had to be transferred to the Department of Energy prior to placing the materials into the Federal Waste Facility located within WCS. However, most of the radioactive waste was characterized, profiled, approved and managed under the WCS permitted radioactive waste exemption process authorized and implemented by the Texas Commission on Environmental Quality (TCEQ) and the Radioactive Materials Division. This allows LLRW and LLMW to be shipped as regulated waste and then upon receipt at WCS through satisfying the relevant waste acceptance criteria the waste is exempted and placed into the WCS RCRA permitted cell. An additional 35 shipments (544 metric ton) of contaminated hazardous waste water were transported to U.S. Ecology in Robstown, TX for treatment/disposal. An additional 36 shipments (500 metric tons) of non-hazardous wastewater was sent to Republic Waste Services' facility in Fresno, TX. The disposal of these materials required close coordination with State of Texas regulators. During decommissioning, the project team recycled approximately 270 metric tons (600,000 pounds) of lead and steel. As part of the dismantlement in Brownsville, TX the team recycled approximately 5,000 metric tons (11 million pounds) of ferrous and non-ferrous material, limiting our disposal requirements to about 180 metric tons (400,000 pounds) of material (<4% from entire shipbreaking activity). Although the primary hazard being mitigated by this project was radiological, recycling was always a priority for the project. The team strived to achieve sustainability goals as we implemented this one of a kind project. Scrap metal recycling has a large positive impact on the environment and can also favorably impact project disposal costs. Steel is among the most recycled material in the world. Nearly 40% of the world's steel production is made from scrap. Recycling steel also requires 75% less energy than producing it from raw materials. By using recycled steel rather than virgin materials, 2.33 kg of carbon emissions are eliminated per kg of steel [1]. The project recycled more than 4,500 metric tons (10 million pounds) of steel, which eliminated about 10,400 metric tons (23 million pounds) of CO{sub 2}. By implementing a recycling initiative for the Sturgis project, the team was able to realize cost avoidance for disposal of scrap, cost savings from the metals recycled, plus the project provided benefits to the environment through our recycling efforts. Once the dismantlement was complete, the team prepared a detailed decommissioning closure report, which allowed for the termination of the Army Reactor Decommissioning Permit. While it not only reduced any potential long-term environmental liability, this project to decommission and dismantle a floating nuclear power plant is truly unprecedented - it is a prime example of the USACE mission which is: 'Engineering solutions for the Nation's toughest challenges'. This unique, one of a kind, historical power plant was never designed to be taken apart, and the available information about its construction was lacking in many details. The hazards that required mitigation dictated a painstaking and deliberate process in order to avoid any release to the environment and the community, and to protect the health and safety of the workers involved while keeping the waste hierarchy's three R's - reduce, reuse and recycle at the forefront. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Designed 2D protein crystals as dynamic molecular gatekeepers for a solid-state device

The sensitivity and responsiveness of living cells to environmental changes are enabled by dynamic protein structures, inspiring efforts to construct artificial supramolecular protein assemblies. However, despite their sophisticated structures, designed protein assemblies have yet to be incorporated into macroscale devices for real-life applications. We report a 2D crystalline protein assembly of C98/E57/E66 L-rhamnulose-1-phosphate aldolase ( CEE RhuA) that selectively blocks or passes molecular species when exposed to a chemical trigger. CEE RhuA crystals are engineered via cobalt(II) coordination bonds to undergo a coherent conformational change from a closed state (pore dimensions <1 nm) to an ajar state (pore dimensions ~4 nm) when exposed to an HCN(g) trigger. When layered onto a mesoporous silicon (pSi) photonic crystal optical sensor configured to detect HCN (g) , the 2D CEE RhuA crystal layer effectively blocks interferents that would otherwise result in a false positive signal. The 2D CEE RhuA crystal layer opens in selective response to low-ppm levels of HCN (g) , allowing analyte penetration into the pSi sensor layer for detection. These findings illustrate that designed protein assemblies can function as dynamic components of solid-state devices in non-aqueous environments.

36 MATERIALS SCIENCE↗

Architecting the Grid Edge: Ensuring Reliability and Resilience

Changes in technology, customer expectations, and business and regulatory environments are rapidly evolving causing fundamental changes in the nation’s electrical infrastructure. Nowhere is this more apparent that at the “grid edge”, where there is an increasing number of new devices and systems, as well as complex new interactions between them. This is leading to the traditional relationship between the end-use customers and their utilities being expanded by an increasing number of stakeholders, each with their own operational and financial objectives, governed by regulatory policy. While there are concerns about the rapidly increasing complexity negatively impacting reliable and resilience of the electrical infrastructure, these changes are also bringing new resources and opportunities that hold great potential if they can be properly coordinated. This white paper outlines the considerations for the coordination of multi-stakeholder objectives with electric utility requirements using the concept of grid services. Describing a framework that enables new stakeholders to achieve their local technical and economic objectives, while simultaneously delivering operational benefits to the electrical infrastructure. The concepts of grid architecture are presented as a tool to evaluate how stakeholders might participate in, and benefit from, services, and how utilities can make decision on the reliance on services to ensure reliability and resilience, translating abstract concepts into actionable information for utilities and grid edge stakeholders. The end result of proper coordination, informed by grid architecture, will be a range of new devices and systems, operated by new stakeholders, achieving their local objectives while also increasing the reliability, resilience, security, and affordability of the nation’s critical electrical infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Architecting the Grid Edge: Ensuring Reliability and Resilience

Changes in technology, customer expectations, and business and regulatory environments are rapidly evolving causing fundamental changes in the nation’s electrical infrastructure. Nowhere is this more apparent that at the “grid edge”, where there is an increasing number of new devices and systems, as well as complex new interactions between them. This is leading to the traditional relationship between the end-use customers and their utilities being expanded by an increasing number of stakeholders, each with their own operational and financial objectives, governed by regulatory policy. While there are concerns about the rapidly increasing complexity negatively impacting reliable and resilience of the electrical infrastructure, these changes are also bringing new resources and opportunities that hold great potential if they can be properly coordinated. This white paper outlines the considerations for the coordination of multi-stakeholder objectives with electric utility requirements using the concept of grid services. Describing a framework that enables new stakeholders to achieve their local technical and economic objectives, while simultaneously delivering operational benefits to the electrical infrastructure. The concepts of grid architecture are presented as a tool to evaluate how stakeholders might participate in, and benefit from, services, and how utilities can make decision on the reliance on services to ensure reliability and resilience, translating abstract concepts into actionable information for utilities and grid edge stakeholders. The end result of proper coordination, informed by grid architecture, will be a range of new devices and systems, operated by new stakeholders, achieving their local objectives while also increasing the reliability, resilience, security, and affordability of the nation’s critical electrical infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases

Class A β-lactamases are known for being able to rapidly gain broad spectrum catalytic efficiency against most β-lactamase inhibitor combinations as a result of elusively minor point mutations. The evolution in class A β-lactamases occurs through optimisation of their dynamic phenotypes at different timescales. At long-timescales, certain conformations are more catalytically permissive than others while at the short timescales, fine-grained optimisation of free energy barriers can improve efficiency in ligand processing by the active site. Free energy barriers, which define all coordinated movements, depend on the flexibility of the secondary structural elements. The most highly conserved residues in class A β-lactamases are hydrophobic nodes that stabilize the core. To assess how the stable hydrophobic core is linked to the structural dynamics of the active site, we carried out adaptively sampled molecular dynamics (MD) simulations in four representative class A β-lactamases (KPC-2, SME-1, TEM-1, and SHV-1). Using Markov State Models (MSM) and unsupervised deep learning, we show that the dynamics of the hydrophobic nodes is used as a metastable relay of kinetic information within the core and is coupled with the catalytically permissive conformation of the active site environment. Finally, our results collectively demonstrate that the class A enzymes described here, share several important dynamic similarities and the hydrophobic nodes comprise of an informative set of dynamic variables in representative class A β-lactamases.

59 BASIC BIOLOGICAL SCIENCES↗

DEVELOPMENT OF AN INFLIGHT COUNTERMEASURE TO MITIGATE POSTFLIGHT GAIT DYSFUNCTION

Following spaceflight crewmembers experience gait and postural instabilities due to inflight adaptive alterations in sensorimotor function. These changes can pose a risk to crew safety if nominal or emergency vehicle egress is required immediately following long-duration spaceflight. At present, no operational countermeasure is available to mitigate postflight locomotor disturbances. Therefore, the goal of this study is to develop an inflight training regimen that facilitates the recovery of locomotor function after long-duration spaceflight. The countermeasure we are developing is based on the concept of variable practice. During this type of training the subject gains experience producing the appropriate adaptive motor behavior under a variety of sensory conditions and response constraints. This countermeasure is built around current ISS treadmill exercise activities. Crewmembers will conduct their nominal inflight treadmill exercise while being exposed to variations in visual flow patterns. These variations will challenge the postural and locomotor systems repeatedly, thereby promoting adaptive reorganization in locomotor behavior. As a result of this training a subject learns to solve a class of motor problems, rather than a specific motor solution to one problem, Le., the subject learns response generalizability or the ability to "learn to learn" under a variety of environmental constraints. We anticipate that this training will accelerate recovery of postural and locomotor function during readaptation to gravitational environments following spaceflight facilitating neural adaptation to unit (Earth) and partial (Mars) gravity after long-duration spaceflight. The study calls for one group of subjects to perform the inflight treadmill training regimen while a control group of subjects performs only the nominal exercise procedures. Locomotor function in both groups is assessed before and after spaceflight using two tests of gait function: The Integrated Treadmill Locomotion Test (ITLT) and the Functional Mobility Test (FMT). The ITLT characterizes alterations in the integrated function of multiple sensorimotor subsystems responsible for the control of locomotion. This test calls for subjects to walk on a motorized treadmill while we assess changes in dynamic postural stability, head-trunk coordination, short-latency head stabilization responses, dynamic visual acuity, lower limb coordination strategies and gait cycle timing. To make these assessments we measure the following parameters while subjects walk on the treadmill: 1) full body 3-dimensional kinematics using a motion capture system (Motion Analysis Corp., Santa Rosa, CA); 2) the shock-wave transmitted from heel-strike to the head using triaxial accelerometers placed on the tibia and head (Entran, Fairfield, NJ); 3) vertical forces using an instrumented treadmill (Kistler Instrument Corp., Amherst, NY); 4) Dynamic visual acuity using Landolt Cs presented on a laptop computer located 4m from the eyes and 5) Gait cycle timing using foot-switches (Motion Lab Systems, Inc., Baton Rouge, LA) attached to the plantar surface of each shoe at the heel and toe. The FMT evaluates a subject's ability to perform challenging locomotor maneuvers similar to those encountered during an egress from a space vehicle. Subjects step over and duck under obstacles along with negotiating a series of pylons set up on a base of 10 cm thick medium density foam. The dependent measures for the FMT are time to complete the course and the number of obstacles touched. To date, we have collected pre and postflight locomotion data from Expeditions 5-9 who will serve as part of the control group for this study. Preliminary results comparing the recovery rates in gait control sub-systems obtained from the ITLT and FMT performance showed two recovery patterns: 1) a concordant recovery trend between gait control parameters and FMT performance indicating a restitution pattern of recovery and 2) gait controecovery that lagged recovery in FMT performance suggesting that improvement in locomotor function was attained through a pattern of substitution. These data suggest that recovery of postflight locomotor function may occur through adaptive mechanisms that lead to either restitution or substitution of function. Understanding the modes of postflight readaptation has implications for countermeasure development and testing and in astronaut postflight rehabilitation.

Bloomberg, J. J.↗

Development of an Inflight Countermeasure to Mitigate Postflight Gait Dysfunction

Following spaceflight crewmembers experience gait and postural instabilities due to inflight adaptive alterations in sensorimotor function. These changes can pose a risk to crew safety if nominal or emergency vehicle egress is required immediately following long-duration spaceflight. At present, no operational countermeasure is available to mitigate postflight locomotor disturbances. Therefore, the goal of this study is to develop an inflight training regimen that facilitates the recovery of locomotor function after long-duration spaceflight. The countermeasure we are developing is based on the concept of variable practice. During this type of training the subject gains experience producing the appropriate adaptive motor behavior under a variety of sensory conditions and response constraints. This countermeasure is built around current ISS treadmill exercise activities. Crewmembers will conduct their nominal inflight treadmill exercise while being exposed to variations in visual flow patterns. These variations will challenge the postural and locomotor systems repeatedly, thereby promoting adaptive reorganization in locomotor behavior. As a result of this training a subject learns to solve a class of motor problems, rather than a specific motor solution to one problem, Le., the subject learns response generalizability or the ability to "learn to learn" under a variety of environmental constraints. We anticipate that this training will accelerate recovery of postural and locomotor function during readaptation to gravitational environments following spaceflight facilitating neural adaptation to unit (Earth) and partial (Mars) gravity after long-duration spaceflight. The study calls for one group of subjects to perform the inflight treadmill training regimen while a control group of subjects performs only the nominal exercise procedures. Locomotor function in both groups is assessed before and after spaceflight using two tests of gait function: The Integrated Treadmill Locomotion Test (ITLT) and the Functional Mobility Test (FMT). The ITLT characterizes alterations in the integrated function of multiple sensorimotor subsystems responsible for the control of locomotion. This test calls for subjects to walk on a motorized treadmill while we assess changes in dynamic postural stability, head-trunk coordination, short-latency head stabilization responses, dynamic visual acuity, lower limb coordination strategies and gait cycle timing. To make these assessments we measure the following parameters while subjects walk on the treadmill: 1) full body 3-dimensional kinematics using a motion capture system (Motion Analysis Corp., Santa Rosa, CA); 2) the shock-wave transmitted from heel-strike to the head using triaxial accelerometers placed on the tibia and head (Entran, Fairfield, NJ); 3) vertical forces using an instumented treadmill (Kistler Instrument Corp., Amherst, NY); 4) Dynamic visual acuity using Landolt Cs presented on a laptop computer located 4m from the eyes and 5) Gait cycle timing using foot-switches (Motion Lab Systems, Inc., Baton Rouge, LA) attached to the plantar surface of each shoe at the heel and toe. The FMT evaluates s. subject's ability to perform challenging locomotor maneuvers similar to those encountered during an egress from a space vehicle. Subjects step over and duck under obstacles along with negotiating a series of pylons set up on a base of 10 cm thick medium density foam. The dependent measures for the FMT are time to complete the course and the number of obstacles touched. To date, we have collected pre and postflight locomotion data from Expeditions 5-9 who will serve as part of the control group for this study. Preliminary results comparing the recovery rates in gait control sub-systems obtained from the ITLT and FMT performance showed two recovery patterns: 1) a concordant recovery trend between gait control parameters and FMT performance indicating a restitution pattern of recovery and 2) gait controecovery that lagged recovery in FMT performance suggesting that improvement in locomotor function was attained through a pattern of substitution. These data suggest that recovery of postflight locomotor function may occur through adaptive mechanisms that lead to either restitution or substitution of function. Understanding the modes of postflight readaptation has implications for countermeasure development and testing and in astronaut postflight rehabilitation.

Bloomberg, J. J.↗