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At least 937 records · Page 52

Overview of a Generalized Numerical Predictor-Corrector Targeting Guidance with Application to Human-Scale Mars Entry, Descent, and Landing

Recent advances in planetary entry guidance algorithms are motived by precision landing criteria for human-scale Mars missions and improved in-space computing capabilities. An NPC targeting guidance algorithm, originally developed for the Mars Surveyor Program 2001 Missions, has been modified and extended to permit a fully generalized, flexible, and robust approach to spacecraft aerocapture and EDL guidance design. This paper describes this generalized targeting NPC guidance (NPCG) and how its modifications enable its use in precision targeting for human missions. System modeling, trajectory propagation, and guidance segment definition and design are described. Finally, the NPCG capability and performance is demonstrated using a human-scale Mars entry, descent, and landing mission simulation.

Rafael A Lugo↗

SEC ‐ SAXS / MC Ensemble Structural Studies of the Microtubule Binding Protein Cdt1 Show Monomeric, Folded‐Over Conformations

ABSTRACT Cdt1 is a mixed folded protein critical for DNA replication licensing and it also has a “moonlighting” role at the kinetochore via direct binding to microtubules and the Ndc80 complex. However, it is unknown how the structure and conformations of Cdt1 could allow it to participate in these multiple, unique sets of protein complexes. While robust methods exist to study entirely folded or unfolded proteins, structure–function studies of combined, mixed folded/disordered proteins remain challenging. In this work, we employ orthogonal biophysical and computational techniques to provide structural characterization of mitosis‐competent human Cdt1. Thermal stability analyses shows that both folded winged helix domains1 are unstable. CD and NMR show that the N‐terminal and linker regions are intrinsically disordered. DLS shows that Cdt1 is monomeric and polydisperse, while SEC‐MALS confirms that it is monomeric at high concentrations, but without any apparent inter‐molecular self‐association. SEC‐SAXS enabled computational modeling of the protein structures. Using the program SASSIE, we performed rigid body Monte Carlo simulations to generate a conformational ensemble of structures. We observe that neither fully extended nor extremely compact Cdt1 conformations are consistent with SAXS. The best‐fit models have the N‐terminal and linker disordered regions extended into the solution and the two folded domains close to each other in apparent “folded over” conformations. We hypothesize the best‐fit Cdt1 conformations could be consistent with a function as a scaffold protein that may be sterically blocked without binding partners. Our study also provides a template for combining experimental and computational techniques to study mixed‐folded proteins.

Cell Biology↗

Visual Style Elements in Human–System Interface Design for Nuclear Power Operations: Does Style Affect Performance and Preference?

As the world increasingly adopts renewable and sustainable energy systems, transitionary solutions include nuclear power, which currently provides 20% of the United States’ electricity and is the largest single source of carbon-free electricity generation. Advanced reactors are a critical component of a carbon-free mixed energy portfolio that require careful design of first-of-a-kind control rooms. The application of Human Factors Engineering (HFE) is essential for scientific and iterative testing of novel human–system interface (HSI) concepts to ensure effective, efficient, and safe plant operations. Microworlds are simulators that use simplified physics models and control systems to distill nuclear power operations into essential functions. HFE scientists used the Rancor Microworld Simulator to obtain preference and performance metrics for novel and traditional static HSI design styles. Participants comprised advanced reactor company employees and nuclear industry consultants. A mixture of quantitative and qualitative data was captured. There was a preference for the basic graphical style that included high contrast and traditional color scheme elements. No single HSI design outperformed the others, and the participants did not perform better using their preferred HSI style. We report this experiment is the first in a series of HFE testing for HSIs in advanced reactor control room development. Clear user preferences emerged for elements within static displays. The cutting-edge neumorphic style was the least preferred. Future directions include tests of dynamic displays. HFE is used in evaluating and designing HSI devices that will improve the efficiency and safety of advanced nuclear power operations.

99 GENERAL AND MISCELLANEOUS↗

Effects of adaptive task allocation on monitoring of automated systems

The effects of adaptive task allocation on monitoring for automation failure during multitask flight simulation were examined. Participants monitored an automated engine status task while simultaneously performing tracking and fuel management tasks over three 30-min sessions. Two methods of adaptive task allocation, both involving temporary return of the automated engine status task to the human operator ("human control"), were examined as a possible countermeasure to monitoring inefficiency. For the model-based adaptive group, the engine status task was allocated to all participants in the middle of the second session for 10 min, following which it was again returned to automation control. The same occurred for the performance-based adaptive group, but only if an individual participant's monitoring performance up to that point did not meet a specified criterion. For the nonadaptive control groups, the engine status task remained automated throughout the experiment. All groups had low probabilities of detection of automation failures for the first 40 min spent with automation. However, following the 10-min intervening period of human control, both adaptive groups detected significantly more automation failures during the subsequent blocks under automation control. The results show that adaptive task allocation can enhance monitoring of automated systems. Both model-based and performance-based allocation improved monitoring of automation. Implications for the design of automated systems are discussed.

Task Performance and Analysis↗

Training, transfer, and retention of three-dimensional spatial memory in virtual environments

Human orientation requires one to remember and visualize spatial arrangements of landmarks from different perspectives. Astronauts have reported difficulties remembering relationships between environmental landmarks when imagined in arbitrary 3D orientations. The present study investigated the effects of strategy training on humans' 1) ability to infer their orientation from landmarks presented ahead and below, 2) performance when subsequently learning a different array, and 3) retention of configurational knowledge over time. On the first experiment day, 24 subjects were tested in a virtual cubic chamber in which a picture of an animal was drawn on each wall. Through trial-by-trial exposures, they had to memorize the spatial relationships among the six pictures around them and learn to predict the direction to a specific picture when facing any view direction, and in any roll orientation. Half of the subjects ("strategy group") were taught methods for remembering picture groupings, while the remainder received no such training ("control group"). After learning one picture array, the procedure was repeated in a second. Accuracy (% correct) and response time learning curves were measured. Performance for the second array and configurational memory of both arrays were also retested 1, 7, and 30 days later. Results showed that subjects "learned how to learn" this generic 3D spatial memory task regardless of their relative orientation to the environment, that ability and configurational knowledge was retained for at least a month, that figure rotation ability and field independence correlate with performance, and that teaching subjects specific strategies in advance significantly improves performance. Training astronauts to perform a similar generic 3D spatial memory task, and suggesting strategies in advance, may help them orient in three dimensions.

Non-NASA Center↗

Validation of Cryogenic Propellant Tank Self-Pressurization

NASA’s near-future long-term space missions necessitate advancements in cryogenic fluid management (CFM), which includes safe and reliable long-term propellant storage. Consequently, NASA STMD (Space Technology Mission Directorate) has established the CFM Portfolio Project to improve CFM technologies for upcoming missions. As a part of CFM Modeling Portfolio, NASA Marshall Space Flight Center’s (MSFC) Fluid Dynamics branch within the Propulsion Systems Department is tasked with assessing and improving computational tools used to support flight projects such as Human Lander System and Commercial Lunar Payload Services. One of the challenging modeling problems is that of self-pressurization of propellant tank due to heat leakage over long time periods. Reduced order and nodal tools find it extremely difficult to accurately predict self-pressurization under transient conditions or where complex flow patterns or thermal gradients exist, and application of 3-D CFD (computational fluid dynamics) simulations is necessary to characterize these problems. Until recently, CFD simulations for these long-term processes (order of hours or days) have been too impractical to conduct due to prohibitive wall time and computational resource requirements. The requisite CFD tool need to be efficient, computationally scalable, modular with ability to incorporate various physics models, and robust enough to not accumulate conservation errors over several hours of simulated time. NASA MSFC’s Loci-Stream CFD tool along with the VOF module is a great candidate to fit this mold. In this paper, we validate Loci-Stream for predicting self-pressurization of a flight scale propellant tank so it can serve as a reliable design and analysis tool for NASA’s CFM application needs. Liquid hydrogen tank pressurization tests carried out at the K-site testing facility provide a reliable data set for this purpose. These tests were simulated using Loci-Stream solver with VOF module as well as a hybrid approach which uses a lumped model for the ullage gas domain and CFD simulation of the liquid propellant. Both are shown to have very good predictive capabilities over multiple K-site experiments.

Hong Q. Yang↗

Validation of Cryogenic Propellant Tank Self-Pressurization

NASA's near-future long-term space missions necessitate advancements in cryogenic fluid management (CFM), which includes safe and reliable long-term propellant storage. Consequently, NASA STMD (Space Technology Mission Directorate) has established the CFM Portfolio Project to improve CFM technologies for upcoming missions. As a part of CFM Modeling Portfolio, NASA Marshall Space Flight Center's (MSFC) Fluid Dynamics branch within the Propulsion Systems Department is tasked with assessing and improving computational tools used to support flight projects such as Human Lander System and Commercial Lunar Payload Services. One of the challenging modeling problems is that of self-pressurization of propellant tank due to heat leakage over long time periods. Reduced order and nodal tools find it extremely difficult to accurately predict self-pressurization under transient conditions or where complex flow patterns or thermal gradients exist, and application of 3-D CFD (computational fluid dynamics) simulations is necessary to characterize these problems. Until recently, CFD simulations for these long-term processes (order of hours or days) have been too impractical to conduct due to prohibitive wall time and computational resource requirements. The requisite CFD tool need to be efficient, computationally scalable, modular with ability to incorporate various physics models, and robust enough to not accumulate conservation errors over several hours of simulated time. NASA MSFC's Loci-Stream CFD tool along with the VOF module is a great candidate to fit this mold. In this paper, we validate Loci-Stream for predicting self-pressurization of a flight scale propellant tank so it can serve as a reliable design and analysis tool for NASA's CFM application needs. Liquid hydrogen tank pressurization tests carried out at the K-site testing facility provide a reliable data set for this purpose. These tests were simulated using Loci-Stream solver with VOF module as well as a hybrid approach which uses a lumped model for the ullage gas domain and CFD simulation of the liquid propellant. Both are shown to have very good predictive capabilities over multiple K-site experiments.

cryogenic fluid management↗

Modeling a Wireless Network for International Space Station

This paper describes the application of wireless local area network (LAN) simulation modeling methods to the hybrid LAN architecture designed for supporting crew-computing tools aboard the International Space Station (ISS). These crew-computing tools, such as wearable computers and portable advisory systems, will provide crew members with real-time vehicle and payload status information and access to digital technical and scientific libraries, significantly enhancing human capabilities in space. A wireless network, therefore, will provide wearable computer and remote instruments with the high performance computational power needed by next-generation 'intelligent' software applications. Wireless network performance in such simulated environments is characterized by the sustainable throughput of data under different traffic conditions. This data will be used to help plan the addition of more access points supporting new modules and more nodes for increased network capacity as the ISS grows.

Alena, Richard↗

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike RBD and human ACE2

The association of the receptor binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein with human angiotensin-converting enzyme 2 (hACE2) represents the first required step for cellular entry. SARS-CoV-2 has continued to evolve with the emergence of several novel variants, and amino acid changes in the RBD have been implicated with increased fitness and potential for immune evasion. Reliably predicting the effect of amino acid changes on the ability of the RBD to interact more strongly with the hACE2 can help assess the implications for public health and the potential for spillover and adaptation into other animals. Here, we introduce a two-step framework that first relies on 48 independent 4-ns molecular dynamics (MD) trajectories of RBD-hACE2 variants to collect binding energy terms decomposed into Coulombic, covalent, van der Waals, lipophilic, generalized Born solvation, hydrogen bonding, π-π packing, and self-contact correction terms. The second step implements a neural network to classify and quantitatively predict binding affinity changes using the decomposed energy terms as descriptors. The computational base achieves a validation accuracy of 82.8% for classifying single–amino acid substitution variants of the RBD as worsening or improving binding affinity for hACE2 and a correlation coefficient of 0.73 between predicted and experimentally calculated changes in binding affinities. Both metrics are calculated using a fivefold cross-validation test. Our method thus sets up a framework for screening binding affinity changes caused by unknown single– and multiple–amino acid changes offering a valuable tool to predict host adaptation of SARS-CoV-2 variants toward tighter hACE2 binding.

60 APPLIED LIFE SCIENCES↗

Computational Fluid Dynamics Simulations to Assess Spatial Variability and Optimal Ventilation Scenarios for Biological Laboratory Exposures

A significant amount of uncertainty exists regarding potential human exposure to laboratory biomaterials and organisms in Biosafety Level 2 (BSL-2) research laboratories. Computational fluid dynamics (CFD) modeling is proposed as a way to better understand potential impacts of different combinations of biomaterials, laboratory manipulations, and exposure routes on risks to laboratory workers. Here, in this study, we use CFD models to simulate airborne concentrations of contaminants in an actual BSL-2 laboratory under different configurations. Results show that ventilation configuration, sampling location, and contaminant source location can significantly impact airborne concentrations and exposures. Depending on the source location and airflow patterns, the transient and time-integrated concentrations varied by several orders of magnitude. Contaminant plumes from sources located near a return vent (or exhaust like a fume hood or ventilated biosafety cabinet) are likely to be more contained than sources that are further from the exhaust. Having a direct flow between the source and the exhaust (through-flow condition) may reduce potential exposures to individuals outside the air flow path. Designing a BSL-2 room with ventilation and airflow patterns that maximize through-flow conditions to the return/exhaust vents and minimize dispersion and mixing throughout the room is, therefore, recommended. CFD simulations can also be used to assist in characterizing the impacts of supply and return vent locations, room layout, and source locations on spatial and temporal contaminant concentrations. In addition, proper placement of particle sensors can also be informed by CFD simulations to provide additional characterization and monitoring of potential exposures in BSL-2 facilities.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Modeling Spacesuit-Human Interaction for Injury Risk Identification

Performing functional tasks while inside of the space suit introduces additional ergonomic challenges which can lead to musculoskeletal stresses and injuries in astronauts. Computational modeling of the suit-body interaction can be used alongside human-in-the-loop testing to understand and mitigate these risks and potentially improve the work performance. In this work, a static rigid-body model of the human body was integrated with the space suit and the process is described. This model enables prediction of the resulting joint torques and musculoskeletal loading from a simulated extravehicular activity (EVA) task. For representative EVA tasks, joint torque and body angles were used as parameters to predict the muscle strength required to achieve the task, as well as the percentage of the general and astronaut-like population that could achieve that strength demand. Population strength capability can be used as an indicator of the difficulty of a task and the level of injury risk for the given task types and crew anthropometry. The sensitivity of the model to inputs such as body joint location within the space suit and individual anthropometry will also be evaluated. Future work will use a database of3D human body scans and the movements of the body inside the suit during different EVA tasks to identify potential soft tissue contact points. The specific locations and magnitudes of contacts between the body and suit are expected to identify risk of repetitive tissue contact stresses. Overall, this model will provide a new tool to structurally identify the injury risks of EVA tasks and evaluate alternate strategies to reduce injury risk.

Garima Gupta↗

Realizing Wide-Gamut Human-Centric Display Lighting with K 3 AlP 3 O 9 N:Eu 2+

Abstract Computers, televisions, and smartphones are revolutionized by the invention of InGaN blue light-emitting diode (LED) backlighting. Yet, continual exposure to the intense blue LED emission from these modern displays can cause insomnia and mood disorders. Developing “human-centric” backlighting that uses a violet-emitting LED chip and a trichromatic phosphor mixture to generate color images is one approach that addresses this problem. The challenge is finding a blue-emitting phosphor that possesses a sufficiently small Stokes’ shift to efficiently down-convert violet LED light and produce a narrow blue emission. This work reports a new oxynitride phosphor that meets this demand. K 3 AlP 3 O 9 N:Eu 2+ exhibits an unexpectedly narrow (45 nm, 2206 cm -1 ), thermally robust, and efficient blue photoluminescence upon violet excitation. Computational modeling and temperature-dependent optical property measurements reveal that the narrow emission arises from a rare combination of preferential excitation and site-selective quenching. The resulting chromaticity coordinates of K 3 AlP 3 O 9 N:Eu 2+ lie closer to the vertex of the Rec. 2020 than a blue LED chip and provides access to ≈10% more colors than a commercial tablet when combined with commercial red- and green-emitting phosphors. Alongside the wide gamut, tuning the emission from the violet LED and phosphor blend can reduce blue light emissions to produce next-generation, human-centric displays.

36 MATERIALS SCIENCE↗

Encryption for Remote Control via Internet or Intranet

A data-communication protocol has been devised to enable secure, reliable remote control of processes and equipment via a collision-based network, while using minimal bandwidth and computation. The network could be the Internet or an intranet. Control is made secure by use of both a password and a dynamic key, which is sent transparently to a remote user by the controlled computer (that is, the computer, located at the site of the equipment or process to be controlled, that exerts direct control over the process). The protocol functions in the presence of network latency, overcomes errors caused by missed dynamic keys, and defeats attempts by unauthorized remote users to gain control. The protocol is not suitable for real-time control, but is well suited for applications in which control latencies up to about 0.5 second are acceptable. The encryption scheme involves the use of both a dynamic and a private key, without any additional overhead that would degrade performance. The dynamic key is embedded in the equipment- or process-monitor data packets sent out by the controlled computer: in other words, the dynamic key is a subset of the data in each such data packet. The controlled computer maintains a history of the last 3 to 5 data packets for use in decrypting incoming control commands. In addition, the controlled computer records a private key (password) that is given to the remote computer. The encrypted incoming command is permuted by both the dynamic and private key. A person who records the command data in a given packet for hostile purposes cannot use that packet after the public key expires (typically within 3 seconds). Even a person in possession of an unauthorized copy of the command/remote-display software cannot use that software in the absence of the password. The use of a dynamic key embedded in the outgoing data makes the central-processing unit overhead very small. The use of a National Instruments DataSocket(TradeMark) (or equivalent) protocol or the User Datagram Protocol makes it possible to obtain reasonably short response times: Typical response times in event-driven control, using packets sized .300 bytes, are <0.2 second for commands issued from locations anywhere on Earth. The protocol requires that control commands represent absolute values of controlled parameters (e.g., a specified temperature), as distinguished from changes in values of controlled parameters (e.g., a specified increment of temperature). Each command is issued three or more times to ensure delivery in crowded networks. The use of absolute-value commands prevents additional (redundant) commands from causing trouble. Because a remote controlling computer receives "talkback" in the form of data packets from the controlled computer, typically within a time interval < or =1 s, the controlling computer can re-issue a command if network failure has occurred. The controlled computer, the process or equipment that it controls, and any human operator(s) at the site of the controlled equipment or process should be equipped with safety measures to prevent damage to equipment or injury to humans. These features could be a combination of software, external hardware, and intervention by the human operator(s). The protocol is not fail-safe, but by adopting these safety measures as part of the protocol, one makes the protocol a robust means of controlling remote processes and equipment by use of typical office computers via intranets and/or the Internet.

Lineberger, Lewis↗

Knowledge-based control for robot self-localization

Autonomous robot systems are being proposed for a variety of missions including the Mars rover/sample return mission. Prior to any other mission objectives being met, an autonomous robot must be able to determine its own location. This will be especially challenging because location sensors like GPS, which are available on Earth, will not be useful, nor will INS sensors because their drift is too large. Another approach to self-localization is required. In this paper, we describe a novel approach to localization by applying a problem solving methodology. The term 'problem solving' implies a computational technique based on logical representational and control steps. In this research, these steps are derived from observing experts solving localization problems. The objective is not specifically to simulate human expertise but rather to apply its techniques where appropriate for computational systems. In doing this, we describe a model for solving the problem and a system built on that model, called localization control and logic expert (LOCALE), which is a demonstration of concept for the approach and the model. The results of this work represent the first successful solution to high-level control aspects of the localization problem.

Bennett, Bonnie Kathleen Holte↗

Cognitive Aging as a Human Factor: Effects of Age on Human Performance

Nuclear power plant (NPP) control room operators must make ongoing computations and decisions that maximize production and ensure safety, which places a high cognitive burden on the operators. How cognitions such as attention, visuospatial ability, and working memory interact with socio-technical systems to achieve optimal operations is well studied. However, there is an absence of research that examines how cognitive functioning within the NPP control room environment is moderated by developmental aging processes. This is of critical importance because different types of cognitive actions are known to develop and peak at different times across the adult life span, and it is becoming increasingly clear that there is no age at which all cognitive faculties operate at maximum capacity. Thus, given that NPPs are experiencing an aging workforce, it is vital to identify how mission critical cognitions change with age. This paper reviews implications of aging on reactor operators in the current and new fleet. We highlight lessons that can be learned from state-of-the-art human factors research that considers aging, lessons from the large cognitive aging literature, and lessons from aging workers in other industries that use sophisticated socio-technical systems, such as aviation. We also consider the important subject of aging effects versus expertise and present preliminary data that support the premise that age of operator is linked to effective and efficient operations but that this relationship may be moderated by level of operations expertise. In conclusion, we apply these lessons to future considerations for aging research in current nuclear operations and with the advent of advanced modernized control rooms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Fidelity Accelerated Design of High-performance Electrochemical Systems

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical materials will be critical, but their development currently relies heavily on human-time-intensive experimental trial and error and computationally expensive first-principles, meso-scale and continuum simulations. To accelerate this process, our team has developed the AutoMat platform. AutoMat can accelerate development of new electrochemical materials along two avenues: first, automated input generation and management of simulations at multiple lengthscales as well as “handoff” of outputs from one lengthscale as inputs to the next; and second, replacement of the most computationally intensive simulation processes with machine-learned surrogate models. The crux of our team’s effort was not “reinventing the wheel” by developing entirely new techniques, but rather building a “superhighway” that allows existing state-of-the-art techniques to run faster and more smoothly than before. AutoMat can utilize tools spanning from first-principles quantum chemistry computations to automated robotic experimentation, and is driven by design space search techniques to reduce the number of iterations through the full simulation loop by rapidly targeting promising regions of design spaces such as single-atom alloy catalysts or blends of liquid electrolytes.

25 ENERGY STORAGE↗