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Applications of visualization technology in the structural sciences

The structural sciences are undergoing a transformation driven by advancements in visualization technologies that aid researchers in understanding and communicating experimental data from complex molecular systems. New applications of integrative structural biological and biophysical approaches add a wide variety of complementary information from a broad range of scientific disciplines. These approaches extend structural biophysical methodologies to enable research by the incorporation of a variety of data streams and utilization of tools like molecular graphics, virtual reality, and machine learning. To redefine how structural data—particularly from cryo-electron microscopy and x-ray crystallography—are fed forward for scientific exploration and communication, the advances in tools for data visualization and interpretation have been critical. By bringing molecular systems into an interactive three-dimensional space, these novel technologies enhance research workflows, facilitate structure-based drug design, and create engaging educational experiences. Taken together, these visualization innovations are essential tools for advancing the field by making concepts more accessible and compelling.

Eng, Edward T. [New York Structural Biology Center

Geological study of the southern part of the Malagasy republic using ERTS orbital images

The author has identified the following significant results. The Malagasy stratigraphy and tectonic are very complex, but the results obtained using ERTS-1 images interpretation make credible some hypothesis recently proposed by geologists. Most of known fractures are identified and numerous new observations are made on these images in the field of linear fractures. Some of them extend or relay known fractures and many others are totally new even if scattered field observations make it possible to assume that they correspond to reality. In the domain of lithology different types of rocks are distinguished, but the results are better in sedimentary formations than in the basement.

Weecksteen, G.

Gateway Implementation of Cybersecurity Requirements

Cyber threats are a constant present-day reality for any type of business -- Space exploration is not excluded from these threats either. The Gateway Program is one of NASA’s latest initiatives that extend space exploration beyond low earth orbit. Gateway allows for NASA to prove technologies and mature systems necessary to live and work on another celestial body before embarking on multi-year missions to Mars. The Gateway is a small, human-tended space station in orbit around the Moon. With the increased autonomy, distance and criticality of systems, cybersecurity is one of the critical subsystems that touches and integrates with most if not all subsystems of the Gateway. Building a gateway to the lunar orbit is no simple task. In this presentation, we outline an approach that the Gateway team adopted in creating a cyber safe and robust vehicle to support operations and assure protection of the critical functions. Gateway Program is required to implement National Institute of Standards and Technology (NIST) guidelines to adhere to the Federal Information Security Modernization Act (FISMA). NIST provides a framework for managing and controlling cybersecurity risks by defining cybersecurity controls and methodologies for implementation. The NIST framework is based upon the system, data within the system, integrations with external systems, and risk assessments to determine impacts for each of those systems. The goals and objectives are to identify appropriate security controls that fulfill and map to the NIST 800-53 framework. The implementation process involves developing an organizational understanding to manage cybersecurity risk to systems, people, assets, data, and capabilities. NIST Security controls are interpreted and defined within the Gateway vehicle requirements subsystems specifications. This paper details the approach, implementation, and challenges faced during the development and design phases to address cyber threats during the Gateway vehicle operations.

Svetlana Hanson

Gateway Implementation of Cybersecurity Requirements

Cybersecurity threats are a constant present-day reality for any type of business -- Space exploration is not excluded from these threats either. The Gateway Program is one of NASA’s latest initiatives that extend space exploration beyond low earth orbit. Gateway allows for NASA to prove technologies and mature systems necessary to live and work on another celestial body before embarking on multi-year missions to Mars. The Gateway is a small, human-tended space station in orbit around the Moon. With the increased autonomy, distance and criticality of systems, cybersecurity is a critical discipline that touches and integrates with most if not all subsystems of the Gateway. Building a gateway to the lunar orbit is no simple task. In this presentation, we outline an approach that the Gateway team adopted in creating a cyber safe and robust vehicle to support operations and assure protection of the critical functions. Gateway Program is required to implement National Institute of Standards and Technology (NIST) guidelines to adhere to the Federal Information Security Modernization Act (FISMA). NIST provides a framework for managing and controlling cybersecurity risks by defining cybersecurity controls and methodologies for implementation. The NIST framework is based upon the system, data within the system, integrations with external systems, and risk assessments to determine impacts for each of those systems. The goals and objectives are to identify appropriate security controls that fulfil and map to the NIST 800-53 framework. The implementation process involves developing an organizational understanding to manage cybersecurity risk to systems, people, assets, data, and capabilities. NIST Security controls are interpreted and defined within the Gateway vehicle requirements subsystems specifications. This paper details the approach, implementation, and challenges faced during the development and design phases to address cyber threats during the Gateway vehicle operations.

Cybersecurity

SAO and Kelvin Waves in the EuroGRIPS GCMS and the UK Meteorological Offices Analyses

This work is an intercomparison of four tropospheric-stratospheric climate models, the Unified Model (UM) of the U.K. Meteorological Office (UKMO), the model of the Free University in Berlin (FUB). the ARPEGE-climat model of the National Center for Meteorological Research (CNRM), and the Extended UGAMP GCM (EUGCM) of the Center for Global Atmospheric Modelling (CGAM), against the UKMO analyses. This comparison has been made in the framework of the "GSM-Reality Intercomparison Project for SPARC" (GRIPS). SPARC (Stratospheric Processes and their Role in Climate) aims are to investigate the effects of the middle atmosphere on climate and the GRIPS purpose is to organized a comprehensive assessment of current Middle Atmosphere-Climate Models (MACMs). The models integrations were made without identical contraints e.g. boundary conditions, incoming solar radiation). All models are able to represent the dominant features of the extratropical circulation. In this paper, the structure of the tropical winds and the strengths of the Kelvin waves are examined. Explanations for the differences exhibited. between the models. as well as between models and analyses, are also proposed. In the analyses a rich spectrum of waves (eastward and westward) is present and contributes to drive the SAO (SemiAnnual Oscillation) and the QBO (Quasi-Biennal Oscillation). The amplitude of the Kelvin waves is close to the one observed in UARS (Upper Atmosphere Research Satellite) data. In agreement with observations, the Kelvin waves generated in the models propagate into the middle atmosphere as wave packets which underlines convective forcing origin. In most models, slow Kelvin waves propagate too high and are hence overestimated in the upper stratosphere and in the mesosphere, except for the UM which is more diffusive. These waves are not sufficient to force realistic westerlies of the QBO or SAO westerly phases. If the SAO is represented by all models only two of them are able to generate westerlies between 10 hPa and 50 hPa. The importance of the role played by subgrided gravity waves is more and more recognized. Actually, the EUGCM which includes a parametrization of gravity waves with a non-zero phase speed is able to simulate. with however some unrealistic features, clear easterly to westerly transitions as well as westerlies downward propagations. Thermal damping is also important in the westerlies forcing in the stratosphere. The model ARPEGE-climat shows more westerlies in the stratosphere than tile other three models probably due to the use of a simplified scheme to predict the ozone distribution in the middle atmosphere.

Amodei, M.

Landcover Based Optimal Deconvolution of PALS L-band Microwave Brightness Temperature

An optimal de-convolution (ODC) technique has been developed to estimate microwave brightness temperatures of agricultural fields using microwave radiometer observations. The technique is applied to airborne measurements taken by the Passive and Active L and S band (PALS) sensor in Iowa during Soil Moisture Experiments in 2002 (SMEX02). Agricultural fields in the study area were predominantly soybeans and corn. The brightness temperatures of corn and soybeans were observed to be significantly different because of large differences in vegetation biomass. PALS observations have significant over-sampling; observations were made about 100 m apart and the sensor footprint extends to about 400 m. Conventionally, observations of this type are averaged to produce smooth spatial data fields of brightness temperatures. However, the conventional approach is in contrast to reality in which the brightness temperatures are in fact strongly dependent on landcover, which is characterized by sharp boundaries. In this study, we mathematically de-convolve the observations into brightness temperature at the field scale (500-800m) using the sensor antenna response function. The result is more accurate spatial representation of field-scale brightness temperatures, which may in turn lead to more accurate soil moisture retrieval.

Limaye, Ashutosh S.

Orbital fluid servicing and resupply operations

The capability to reservice spacecraft and satellites with expendable fluids will provide significant increases in the usability, operational efficiency and cost effectiveness of in-space systems. Initial resupply will be accomplished from the Orbiter cargo bay starting with monopropellant servicing which will eventually be extended to servicing of bipropellants and pressurants. Other fluids, such as freon, ammonia, methanol, superfluid helium, and liquid/gaseous nitrogen may also need to be resupplied once a space station becomes a reality. These fluids/gases are required for subsystem working fluid replacement and payload/experiment fluid replenishment. A logistics module operating on a 90 day schedule is planned for space station servicing. Resupplying hundreds of thousands of pounds of cryogenic propellants and reactants for users such as the Orbital Transfer Vehicle (OTV) also represents future logistics challenges. Implementation of on-orbit fluid transfer requires solving many problems including fluid management in the low-g environment, system docking and interface mating, configuration of user friendly avionics to monitor and control the entire servicing operation, and minimized maintenance and enhanced reliability. Candidate fluid transfer methods and possible gas transfer methods are discussed, and preliminary storable monopropellant and bipropellant tanker designs are summarized.

Eberhardt, R. N.

Real-time, interactive, visually updated simulator system for telepresence

Time delays and limited sensory feedback of remote telerobotic systems tend to disorient teleoperators and dramatically decrease the operator's performance. To remove the effects of time delays, key components were designed and developed of a prototype forward simulation subsystem, the Global-Local Environment Telerobotic Simulator (GLETS) that buffers the operator from the remote task. GLETS totally immerses an operator in a real-time, interactive, simulated, visually updated artificial environment of the remote telerobotic site. Using GLETS, the operator will, in effect, enter into a telerobotic virtual reality and can easily form a gestalt of the virtual 'local site' that matches the operator's normal interactions with the remote site. In addition to use in space based telerobotics, GLETS, due to its extendable architecture, can also be used in other teleoperational environments such as toxic material handling, construction, and undersea exploration.

Schebor, Frederick S.

A teleoperation training simulator with visual and kinesthetic force virtual reality

A force-reflecting teleoperation training simulator with a high-fidelity real-time graphics display has been developed for operator training. A novel feature of this simulator is that it enables the operator to feel contact forces and torques through a force-reflecting controller during the execution of the simulated peg-in-hole task, providing the operator with the feel of visual and kinesthetic force virtual reality. A peg-in-hole task is used in our simulated teleoperation trainer as a generic teleoperation task. A quasi-static analysis of a two-dimensional peg-in-hole task model has been extended to a three-dimensional model analysis to compute contact forces and torques for a virtual realization of kinesthetic force feedback. The simulator allows the user to specify force reflection gains and stiffness (compliance) values of the manipulator hand for both the three translational and the three rotational axes in Cartesian space. Three viewing modes are provided for graphics display: single view, two split views, and stereoscopic view.

Kim, Won S.

Requirements-Driven Log Analysis Extended Abstract

Imagine that you are tasked to help a project improve their testing effort. In a realistic scenario it will quickly become clear, that having an impact is diffcult. First of all, it will likely be a challenge to suggest an alternative approach which is significantly more automated and/or more effective than current practice. The reality is that an average software system has a complex input/output behavior. An automated testing approach will have to auto-generate test cases, each being a pair (i; o) consisting of a test input i and an oracle o. The test input i has to be somewhat meaningful, and the oracle o can be very complicated to compute. Second, even in case where some testing technology has been developed that might improve current practice, it is then likely difficult to completely change the current behavior of the testing team unless the technique is obviously superior and does everything already done by existing technology. So is there an easier way to incorporate formal methods-based approaches than the full edged test revolution? Fortunately the answer is affirmative. A relatively simple approach is to benefit from possibly already existing logging infrastructure, which after all is part of most systems put in production. A log is a sequence of events, generated by special log recording statements, most often manually inserted in the code by the programmers. An event can be considered as a data record: a mapping from field names to values. We can analyze such a log using formal methods, for example checking it against a formal specification. This separates running the system for analyzing its behavior. It is not meant as an alternative to testing since it does not address the important in- put generation problem. However, it offers a solution which testing teams might accept since it has low impact on the existing process. A single person might be assigned to perform such log analysis, compared to the entire testing team changing behavior.

log analysis

Proposed aerothermodynamic experiments in transition flow using the NASA/ASI tethered satellite system-2

Aerothermodynamic, aerodynamic, and atmospheric science data acquired between 55 and 150 km has been limited by the lack of vehicles or platforms capable of sustained operation at these altitudes. Tethered satellites, which have been under study for this purpose by NASA, the Italian Space Agency (ASI), and others for more than a decade, are expected to become a reality by mid-1991. This approach, in which an instrumented platform is maintained at a desired altitude by a tether attached to a host vehicle orbiting at higher altitudes, will provide the first opportunity to obtain steady state data over an extended period encompassing one or more orbital revolutions. This paper describes the objectives and measurement methods for the first of the facility-class satellites, the TSS-2, which is proposed for a 1995 deployment, and gives the status of the experiment definition. Monte Carlo modeling of the flow fields at 130 km around the baseline 1.6 m diameter sphere is discussed and illustrative results of the modeling given.

Wood, George M.

Power technologies and the space future

Advancements in space power and energy technologies are critical to serve space development needs and help solve problems on Earth. The availability of low cost power and energy in space will be the hallmark of this advance. Space power will undergo a dramatic change for future space missions. The power systems which have served the U.S. space program so well in the past will not suffice for the missions of the future. This is especially true if the space commercialization is to become a reality. New technologies, and new and different space power architectures and topologies will replace the lower power, low-voltage systems of the past. Efficiencies will be markedly improved, specific powers will be greatly increased, and system lifetimes will be markedly extended. Space power technology is discussed - its past, its current status, and predictions about where it will go in the future. A key problem for power and energy is its cost of affordability. Power must be affordable or it will not serve future needs adequately. This aspect is also specifically addressed.

Faymon, Karl A.

Repowering: The Other Side of the Reliability Coin

Extreme weather, cracked backsheets, severe PID, poorly built modules, and installation flaws - all can compromise a solar plant's health and force repowering long before end of life. With more than 70% of U.S. PV capacity less than seven years old, the fleet is young, but its rapid expansion has introduced new materials and system designs that are still being tested under real-world conditions. As a result, reliability - not economics - is what most often drives repowering decisions. Repowering is frequently assumed to be an economically motivated choice, but our work shows that reliability concerns are the real trigger. Drawing from industry interviews, case studies, and modeling, we highlight the physical, electrical, and policy barriers owners face when deciding whether to repair, repower, or decommission. At the same time, repowering can create opportunities: renewed interconnection periods, improved energy yields, and strategic upgrades to extend system value. We present a quantitative framework using NLR's System Advisor Model (SAM) and PV in Circular Economy (PV ICE) tool to evaluate trade-offs across financial, material, and energy impacts. These findings provide practical guidance for navigating the realities of repowering today and underscore the critical role of reliability in shaping the future performance and sustainability of the PV fleet.

14 SOLAR ENERGY

Virtual Inspection of Advanced Manufacturing via Process-Scale Digital Twins (Abbreviated Report)

Inspection and certification comprise the most significant bottlenecks in advanced manufacturing for NNSA applications, often requiring far more time and resources than the fabrication of the parts themselves. Traditional methods, such as manual review and X-ray computed tomography, are not only slow and costly, but also struggle to provide a clear connection between manufacturing instructions and the final performance of critical components. This gap limits both the agility and assurance needed to support the modernization and safety of the United States nuclear stockpile. In response, our Strategic Initiative established a digital twin framework that integrates realtime process monitoring, automated data analysis, and immersive virtual reality collaboration into a unified inspection pipeline. By leveraging data from sensors, machine instructions, and imaging, we created high-fidelity virtual models of manufactured parts that could be rapidly analyzed and certified. This approach was first demonstrated with Direct Ink Write, and then extended to other manufacturing settings, including conventional (or “subtractive”) manufacturing and to predict the end of life performance of parts per the aging and lifetimes programs. The result is a transformational capability: inspection times have been reduced by a factor of 120,000 without loss of accuracy and while simultaneously improving traceability and confidence in part quality. This framework not only streamlines certification for critical applications, but also positions the national security enterprise to respond more flexibly to emerging challenges, supporting agile manufacturing and digital engineering practices across a broad range of mission-relevant domains.

42 ENGINEERING

A Biodosimeter for Multiparametric Determination of Radiation Dose, Radiation Quality, and Radiation Risk

Predicting risk of human cancer following exposure of an individual or a population to ionizing radiation is challenging. To an approximation, this is because uncertainties of uniform absorption of dose and the uniform processing of dose-related damage at the cellular level within a complex set of biological variables degrade the confidence of predicting the delayed expression of cancer as a relatively rare event. Cellular biodosimeters that simultaneously report: 1) the quantity of absorbed dose after exposure to ionizing radiation, 2) the quality of radiation delivering that dose, and 3) the risk of developing cancer by the cells absorbing that dose would therefore be useful. An approach to such a multiparametric biodosimeter will be reported. This is the demonstration of a dose responsive field effect of enhanced expression of keratin 18 (K18) in cultures of human mammary epithelial cells irradiated with cesium-1 37 gamma-rays. Dose response of enhanced K18 expression was experimentally extended over a range of 30 to 90 cGy for cells evaluated at mid-log phase. K18 has been reported to be a marker for tumor staging and for apoptosis, and thereby serves as an example of a potential marker for cancer risk, where the reality of such predictive value would require additional experimental development. Since observed radiogenic increase in expression of K18 is a field effect, ie., chronically present in all cells of the irradiated population, it may be hypothesized that K18 expression in specific cells absorbing particulate irradiation, such as the high-LET-producing atomic nuclei of space radiation, will report on both the single-cell distributions of those particles amongst cells within the exposed population, and that the relatively high dose per cell delivered by densely ionizing tracks of those intersecting particles will lead to cell-specific high-expression levels of K18, thereby providing analytical end points that may be used to resolve both the quantity and the quality of the radiation dose absorbed by individual cells. The principal value of this reported potential multiparametric cellular biodosimeter is suggested to be that it justifies a search for similar but more robust radiogenic assays. That is, K18 is only one radiation dose-sensitive expressed protein, whereas analytical techniques of genomics and proteomics can be used to simultaneously analyze multiple gene and protein expressions resulting from radiation-dose absorption. The potential usefulness of multiparametric cellular biodosimeters will be best realized from quantitatively profiling these multiple markers using these modern techniques.

Richmond, Robert

Higher Vortexability: Zero-Field Realization of Higher Landau Levels

The rise of moiré materials has led to experimental realizations of integer and FCIs in small or vanishing magnetic fields. At the same time, a set of minimal conditions sufficient to guarantee an Abelian fractional state in a flat band were identified, namely “ideal" or “vortexable" quantum geometry. Such vortexable bands share essential features with the LLL, while excluding the need for more fine-tuned aspects such as flat Berry curvature. A natural and important generalization is to ask if such conditions can be extended to capture the quantum geometry of higher Landau levels, particularly the first (1LL), where non-Abelian states at ν = 1/2, 2/5 are known to be competitive. The possibility of realizing these states at zero magnetic field, and perhaps even more exotic ones, could become a reality if we could identify the essential structure of the 1LL in Chern bands. In this work, we introduce a precise definition of 1LL quantum geometry, along with a figure of merit that measures how closely a given band approaches the 1LL. Furthermore, periodically strained Bernal graphene is shown to realize such a 1LL structure even in zero magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Further evidence for the EPNT assumption

We recently proved a theorem extending the Greenberger-Horne-Zeilinger (GHZ) Theorem from multi-particle systems to two-particle systems. This proof depended upon an auxiliary assumption, the EPNT assumption (Emptiness of Paths Not Taken). According to this assumption, if there exists an Einstein-Rosen-Podolsky (EPR) element of reality that determines that a path is empty, then there can be no entity associated with the wave that travels this path (pilot-waves, empty waves, etc.) and reports information to the amplitude, when the paths recombine. We produce some further evidence in support of this assumption, which is certainly true in quantum theory. The alternative is that such a pilot-wave theory would have to violate EPR locality.

Greenberger, Daniel M.

Model Verification and Validation Concepts for a Probabilistic Fracture Assessment Model to Predict Cracking of Knife Edge Seals in the Space Shuttle Main Engine High Pressure Oxidizer

Physics-based models are routinely used to predict the performance of engineered systems to make decisions such as when to retire system components, how to extend the life of an aging system, or if a new design will be safe or available. Model verification and validation (V&V) is a process to establish credibility in model predictions. Ideally, carefully controlled validation experiments will be designed and performed to validate models or submodels. In reality, time and cost constraints limit experiments and even model development. This paper describes elements of model V&V during the development and application of a probabilistic fracture assessment model to predict cracking in space shuttle main engine high-pressure oxidizer turbopump knife-edge seals. The objective of this effort was to assess the probability of initiating and growing a crack to a specified failure length in specific flight units for different usage and inspection scenarios. The probabilistic fracture assessment model developed in this investigation combined a series of submodels describing the usage, temperature history, flutter tendencies, tooth stresses and numbers of cycles, fatigue cracking, nondestructive inspection, and finally the probability of failure. The analysis accounted for unit-to-unit variations in temperature, flutter limit state, flutter stress magnitude, and fatigue life properties. The investigation focused on the calculation of relative risk rather than absolute risk between the usage scenarios. Verification predictions were first performed for three units with known usage and cracking histories to establish credibility in the model predictions. Then, numerous predictions were performed for an assortment of operating units that had flown recently or that were projected for future flights. Calculations were performed using two NASA-developed software tools: NESSUS(Registered Trademark) for the probabilistic analysis, and NASGRO(Registered Trademark) for the fracture mechanics analysis. The goal of these predictions was to provide additional information to guide decisions on the potential of reusing existing and installed units prior to the new design certification.

Pai, Shantaram S.