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At least 1,387 records · Page 77

Electromagnetic interference assessment of an ion drive electric propulsion system

The electromagnetic interference (EMI) form elements of an ion drive electric propulsion system was analyzed, and the effects of EMI interaction with a typical interplanetary spacecraft engineering and scientific subsystems were predicted. SEMCAP, a computerized electromagnetic compatibility assessment code, was used to analyze the impact of EMI noise sources on 65 engineering/telemetry circuits and 48 plasma wave and planetary radio astronomy channels measuring over the range of 100 Hz to 40 MHz in a spacecraft of the Voyager type; manual methods were used to evaluate electrostatics, magnetics, and communications effects. Results indicate that some conducted and radiated spectra are in excess of electromagnetic compatibility specification limits; direct design changes may be required for filtering and shielding of thrust system elements. The worst source of broadband radiated noise appears to be the power processor. The magnetic field necessary to thruster operation is equivalent to about 18 amp-sq m per amp of beam current at right angles to the axis caused by the neutralizer/plume loop.

Whittlesey, A. C.↗

Trajectory determinations and collection of micrometeoroids on the space station. Report of the Workshop on Micrometeorite Capture Experiments

Summaries of papers presented at the Workshop on Micrometeorite Capture Experiments are compiled. The goals of the workshop were to define the scientific objectives and the resulting performance requirements of a potential Space Station facility and to identify the major elements of a coherent development program that would generate the desired capabilities within the next decade. Specific topics include cosmic dust and space debris collection techniques, particle trajectory and source determination, and specimen analysis methods.

Hoerz, F.↗

Research-Grade 3D Virtual Astromaterials Samples: Novel Visualization of NASA's Apollo Lunar Samples and Antarctic Meteorite Samples to Benefit Curation, Research, and Education

NASA's vast and growing collections of astromaterials are both scientifically and culturally significant, requiring unique preservation strategies that need to be recurrently updated to contemporary technological capabilities and increasing accessibility demands. New technologies have made it possible to advance documentation and visualization practices that can enhance conservation and curation protocols for NASA's Astromaterials Collections. Our interdisciplinary team has developed a method to create 3D Virtual Astromaterials Samples (VAS) of the existing collections of Apollo Lunar Samples and Antarctic Meteorites. Research-grade 3D VAS will virtually put these samples in the hands of researchers and educators worldwide, increasing accessibility and visibility of these significant collections. With new sample return missions on the horizon, it is of primary importance to develop advanced curation standards for documentation and visualization methodologies.

Blumenfeld, E. H.↗

Dawn Spacecraft Performance at Ceres: Results of Hybrid Control for Ceres Mapping

Dawn is a low-thrust interplanetary spacecraft currently orbiting the dwarf planet Ceres, to better understand the early creation of the solar system. Launched in September 2007, Dawn arrived at Vesta in July 2011. After a 16-month successful science campaign at Vesta, Dawn departed for Ceres, arriving in early 2015. The Dawn spacecraft uses both reaction wheel assemblies (RWA) and a reaction control system (RCS) to provide 3-axis attitude control for the spacecraft. Reaction wheels were designed to be the primary system for attitude control, however two wheels have shown high friction anomalies and have been removed from service. The project has implemented a hybrid control algorithm using two reaction wheels and RCS thrusters. This hybrid control capability enabled Dawn to achieve very high science return, while significantly conserving remaining hydrazine propellant. With only two remaining healthy RWA’s, hybrid control became part of the baseline plan for Ceres science operations. The Dawn team developed specific operational approaches in which sequences were developed with careful consideration of science versus resource trades. Commanding and sequence planning also incorporated contingency planning, in the event that another reaction wheel may fail. Despite the differences in operational approach between Vesta and Ceres, both campaigns achieved very rich scientific data return. This paper highlights Dawn’s recent flight experience with hybrid attitude control during Ceres orbit operations. The discussion includes the approaches utilized by the Dawn team to address unique operational challenges presented by the hybrid approach, and reviews spacecraft performance under hybrid control in low orbit at Ceres. Additionally, methods used to optimize hydrazine use and thereby extend the science campaign will be presented. Finally, a preliminary assessment of an orbit transfer with two reaction wheels, during extended mission operations, is discussed.

Smith, Brett A.↗

Preparing for Mars 2020 and Future Space Missions: Technology Advancements Driving Contamination Control Requirements and Cleanroom Protocols

Future space exploration missions will force contamination control requirements to become more strict to support increasingly sensitive instrumentation and search for life missions. Driving issues for these extremely clean requirements include increased instrument sensitivity, return sample science, and protecting ambitious mission science objectives. Preparing to meet these requirements mandates that contamination control provide new guidelines and more involved support for the cleanrooms during flight hardware assembly, including establishing better methods for setting cleanroom personnel limits to reduce particle fall out in cleanrooms. Limited literature exists for universal methods of determining cleanroom personnel limits, and what does exist includes mostly theory and assumptions on determining the limit. In this work, published method will be assessed against particle fall out data collected from the ISO 5 cleanrooms of the Mars 2020 Perseverance Rover assembly. Additional evaluations will assess contamination control required cleanroom protocols and the overall success of meeting strict cleanliness requirements of the Adaptive Caching Assembly (ACA) and sample tubes to safeguard future scientific endeavors.

Chen, Nicole↗

Deep Convective Cloud Calibration Sensitivity Studies in Support of Radiometrically Scaling GEO Imagers With VIIRS

The NASA CERES SYN1deg product provides the scientific community regional hourly TOA and surface broadband fluxes and clouds. For consistent geostationary (GEO) derived fluxes and clouds the GEO imagers are radiometrically scaled to the Aqua-MODIS calibration reference. The CERES project utilizes GEO and MODIS analogous channel coincident, collocated, and co-angled radiance pairs as the primary method to inter-calibrate the GEO imagers. Deep convective clouds (DCC) are bright tropical, near Lambertian, top of atmosphere pseudo invariant Earth targets that do not rely on coincident radiance pairs to radiometrically scale sensors to a common calibration reference. DCC pixels are identified by cold IR window channel brightness temperatures (BT). Successful DCC inter-calibration relies on sufficient sampling of comparable identified DCC pixels between sensors. The DCC identification thresholds, pixel resolution, local time, and geographical sampling should be consistent between sensors. Over 20 GEO imagers during the span of the CERES record have various visible and IR pixel resolutions. Unlike the MODIS and VIIRS imagers, where the visible and IR pixel resolutions are similar, the GEO visible pixel resolution is much finer than the IR pixel resolution. The study will examine the pixel resolution impact on the DCC calibration methodology. The resulting DCC calibration coefficients can be validated against the sensor pair calibration methodology. Accounting for the DCC calibration imager resolution differences will allow the CERES project to utilize the future CLARREO observations as the calibration reference for all GEO, MODIS, and VIIRS imagers across the CERES record.

Conor Haney↗

Optimal cube-connected cube multiprocessors

Many CFD (computational fluid dynamics) and other scientific applications can be partitioned into subproblems. However, in general the partitioned subproblems are very large. They demand high performance computing power themselves, and the solutions of the subproblems have to be combined at each time step. The cube-connect cube (CCCube) architecture is studied. The CCCube architecture is an extended hypercube structure with each node represented as a cube. It requires fewer physical links between nodes than the hypercube, and provides the same communication support as the hypercube does on many applications. The reduced physical links can be used to enhance the bandwidth of the remaining links and, therefore, enhance the overall performance. The concept and the method to obtain optimal CCCubes, which are the CCCubes with a minimum number of links under a given total number of nodes, are proposed. The superiority of optimal CCCubes over standard hypercubes was also shown in terms of the link usage in the embedding of a binomial tree. A useful computation structure based on a semi-binomial tree for divide-and-conquer type of parallel algorithms was identified. It was shown that this structure can be implemented in optimal CCCubes without performance degradation compared with regular hypercubes. The result presented should provide a useful approach to design of scientific parallel computers.

Sun, Xian-He↗

Where’s Swimmy?: Mining unique color features buried in galaxies by deep anomaly detection using Subaru Hyper Suprime-Cam data

Abstract We present the Swimmy (Subaru WIde-field Machine-learning anoMalY) survey program, a deep-learning-based search for unique sources using multicolored (grizy) imaging data from the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP). This program aims to detect unexpected, novel, and rare populations and phenomena, by utilizing the deep imaging data acquired from the wide-field coverage of the HSC-SSP. This article, as the first paper in the Swimmy series, describes an anomaly detection technique to select unique populations as “outliers” from the data-set. The model was tested with known extreme emission-line galaxies (XELGs) and quasars, which consequently confirmed that the proposed method successfully selected $\sim\!\! 60\%$–$70\%$ of the quasars and $60\%$ of the XELGs without labeled training data. In reference to the spectral information of local galaxies at z = 0.05–0.2 obtained from the Sloan Digital Sky Survey, we investigated the physical properties of the selected anomalies and compared them based on the significance of their outlier values. The results revealed that XELGs constitute notable fractions of the most anomalous galaxies, and certain galaxies manifest unique morphological features. In summary, deep anomaly detection is an effective tool that can search rare objects, and, ultimately, unknown unknowns with large data-sets. Further development of the proposed model and selection process can promote the practical applications required to achieve specific scientific goals.

Astronomy & Astrophysics↗

Opportunities and Limitations of Nuclear Magnetic Resonance Spectroscopy in Astrobiology

For decades, Nuclear Magnetic Resonance (NMR) spectroscopy has been utilized as a powerful tool in various scientific disciplines, most prominently in chemistry, to determine molecular structures or monitor reactions. While well established in various fields, NMR applications in astrobiology are still unclear. This work aims to explore the potential of NMR in astrobiology, highlighting strengths but also weaknesses. We illustrate capabilities of NMR with two applications: (1) recently developed methods for position-specific carbon isotope analysis of complex organics; and (2) well-established tools for performing quantitative compositional analysis of complex organic mixtures. By utilizing samples relevant to astrobiology, specifically the amino acid valine and analogue mixtures of organics, we showcase that molecules retain a source dependent and distinct intramolecular carbon isotope fingerprint. We demonstrate that compositional sample analysis provides an independent and complementary line of evidence pointing towards the origin of a molecule or mixture. Together, these NMR tools have the potential to support life detection efforts, and aid in distinguishing between biotic and abiotic samples. Finally, we discuss sensitivity, detection limits, the portability of NMR, and propose how integration with mass-spectrometry techniques will be imperative to enable more targeted and comprehensive analyses relevant to astrobiology, including in-situ analysis but also sample return missions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next

Chemical kinetic modeling plays a foundational role in fields ranging from energy to environmental science, pharmaceuticals, and advanced materials. The past two decades have seen remarkable progress, particularly in modeling gas-phase reactions for thermochemical processes, leading to impactful industrial applications such as steam cracking and air quality management. However, new challenges are emerging. The successful development of systematic methodologies for the description of gas-phase kinetics opens the possibility to apply the same approach to the study of more challenging systems. Here, we review recent advances, including ab initio transition state theory-based master equation estimation of elementary rates, automated mechanism generation, machine-learning-assisted kinetics, and uncertainty quantification, and discuss the advances needed to apply the same methodological approach in areas such as heterogeneous catalysis, electrochemistry, liquid-phase and solid-state reactivity, and multiscale model integration. We advocate for the development of targeted tools, especially methods that go beyond empirical tuning toward first-principles-based predictions. We highlight the need for accessible software and AIaugmented workflows to democratize modeling for industry and academia alike. In this perspective, we call attention to not only what has worked but also what remains unsolved, advocating to avoid overemphasizing successes in scientific works at the expense of realism. The next decade should focus on predictive capability, physical accuracy, and community infrastructure (e.g., databases and services) to enable innovation across diverse fields. We argue that kinetic modeling, properly equipped, can accelerate discovery far beyond its traditional domains.

ab initio calculations↗

Analysis of heat transfer and AuNPs-mediated photo-thermal inactivation of E. coli at varying laser powers using single-phase CFD modeling

In the wake of the COVID-19 pandemics, the demand for innovative and effective methods of bacterial inactivation has become a critical area of research, providing the impetus for this study. The purpose of this research is to analyze the AuNPs-mediated photothermal inactivation of E. coli. Gold nanoparticles irradiated by laser represent a promising technique for combating bacterial infection that combines high-tech and scientific progress. The intermediate aim of the work was to present the calibration of the model with respect to the gold nanorods experiment. The purpose of this work is to study the effect of initial concentration of E. coli bacteria, the design of the chamber and the laser power on heat transfer and inactivation of E. coli bacteria. Using the CFD simulation, the work combines three main concepts. 1. The conversion of laser light to heat has been described by a combination of three distinctive approximations: a- Discrete particle integration to take into account every nanoparticle within the system, b- Rayleigh-Drude approximation to determine the scattering and extinction coefficients and c- Lambert–Beer–Bourger law to describe the decrease in laser intensity across the AuNPs. 2. The contribution of the presence of E. coli bacteria to the thermal and fluid-dynamic fields in the microdevice was modeled by single-phase approach by determining the effective thermophysical properties of the water-bacteria mixture. 3. An approach based on a temperature threshold attained at which bacteria will be inactivated, has been used to predict bacterial response to temperature increases. The comparison of the thermal fields and temporal temperature changes obtained by the CFD simulation with those obtained experimentally confirms the accuracy of the light-heat conversion model derived from the aforementioned approximations. The results show a linear relationship between maximum temperature and variation in laser power over the range studied, which is in line with previous experimental results. It was also found that the temperature inside the microchamber can exceed 55 °C only when a laser power higher than 0.8 W is used, so bacterial inactivation begins. The experimental data allows to determinate the concentration of nanoparticles. This parameter is introduced into the mathematical model obtaining the same number of AuNPs. However, this assumption introduces a certain simplification, as in the mathematical model the distribution of nanoparticles is uniform. This work is directly connected to the use of gold nanoparticles for energy conversion, as well as the field of bacterial inactivation in microfluidic systems such as lab-on-a-chip. Presented mathematical and numerical models can be extended to the entire spectrum of wavelengths with particular use of white light in the inactivation of bacteria. This work represents a significant advancement in the field, as to the best of the authors’ knowledge, it is the first to employ a single-phase computational fluid dynamics (CFD) approach specifically combined with the thermal inactivation of bacteria. Moreover, this research pioneers the use of a numerical simulation to analyze the temperature threshold of photothermal inactivation of E. coli mediated by gold nanorods (AuNRs). The integration of these methodologies offers a new perspective on optimizing bacterial inactivation techniques, making this study a valuable contribution to both computational modeling and biomedical applications.

36 MATERIALS SCIENCE↗

Distributed Cross-Channel Hierarchical Aggregation for Foundation Models

Vision-based scientific foundation models hold significant promise for advancing scientific discovery and innovation. This potential stems from their ability to aggregate images from diverse sources—such as varying physical groundings or data acquisition systems—and to learn spatio-temporal correlations using transformer architectures. However, tokenizing and aggregating images can be compute-intensive, a challenge not fully addressed by current distributed methods. In this work, we introduce the Distributed Cross-Channel Hierarchical Aggregation (D-CHAG) approach designed for datasets with a large number of channels across image modalities. Our method is compatible with any model-parallel strategy and any type of vision transformer architecture, significantly improving computational efficiency. We evaluated D-CHAG on hyperspectral imaging and weather forecasting tasks. When integrated with tensor parallelism and model sharding, our approach achieved up to a 75% reduction in memory usage and more than doubled sustained throughput on up to 1,024 AMD GPUs on the Frontier Supercomputer.

Tsaris, Aristeidis (aris) [ORNL] (ORCID:0000000277↗

Feasibility of a Novel Density Functional Method Outside the Kohn-Sham Framework for Modeling Global Potential Energy Surfaces of Molecular Chemical Reactions (Final Technical Report)

The project aimed towards the construction of computational methods capable of modeling the global potential energy surface (PES) of small molecules, molecular ions, and radicals — including the parts of the PES which correspond to chemical reactions, and the reaction paths connecting reactants, intermediates, and reaction products. This goal may seem humble at first glance, but for chemical systems with more than about six atoms in total, at the time the project was proposed, there were no established theoretical methods capable of simulating such systems reliably, not even for small molecules in the gas phase which are electronically benign. This restriction severely hampers our ability to model and control chemical processes under harsh conditions. With the goal of constructing a method capable of modeling such chemical systems, we proposed to pursue a novel approach towards a Multi-Configuration (MC) DFT outside the traditional frameworks of Kohn-Sham theory and other methods of coupling wave function theory with DFT. Rather than being a complete active space (CAS) method, the proposed DOCI-DFT would employ a special restricted form of the active space wave function, called Doubly-Occupied CI (DOCI)—this wave function form is sufficient to describe not only heterolytic, but also homolytic bond dissociation processes at the zeroth order (i.e., as active space wave function). There are no other standard mean field methods which can do so. In the original proposal, we also outlined strong formal and practical arguments speaking for this method. The project proposal was accepted by the Department of Energy and provided two years of seed funding for one graduate student, as well as two years of two weeks PI summer-salary for the PI. However, ultimately the project could not be effectively pursued due to severe interferences outside the context scientific problems and was cancelled. Apart from two weeks of PI salary (and associated fringe & overhead costs issues by the performing institution), no costs were charged against the award, with the entire rest of funding returned to the Department of Energy. This report reiterates the primary background information regarding the project, its original goals, and outlines the preliminary work performed during the two weeks of DOE funding charged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-phenomenology Yield Characterization

This report serves as the first delivery of a four-year applied science effort to transform and advance the error bounds for the yield estimate of an explosion. Each year’s delivery will be in this form, culminating in the submission of this work for peer review to a scientific journal. Importantly, the yearly progress reports can then also be viewed as expanding drafts working towards a formal journal article submission. For the first tranche of funding, we collaborated with Air Force Technical Applications Center (AFTAC) scientists to identify unclassified real-world data that demonstrate and validate our advanced error propagation methods. Collaboration includes visits to AFTAC and telecons. For this development, we illustrate the fusion of seismic, acoustic, optical, and surface effect signatures from an explosion. The mathematics and code being adapted to this specific application (Williams et al., 2021) involves physics models of multiple sensor signatures. We have also identified related physics models and have integrated them into code. Current methods of underground explosion yield estimation for the Threshold Test Ban Treaty (TTBT) have served the US treaty monitoring mission well for decades. A research objective of the Defense Nuclear Nonproliferation Research and Development (DNN R&D) office of the National Nuclear Security Administration (NNSA) has always been to provide new technical capabilities for monitoring lower thresholds. The general model and error propagation code to be developed in this project is based on significant advances in error modeling and propagation needed to analyze data at lower detection thresholds. The second tranche of funding for this project began on May 1, 2022, and planned work for the second tranche includes: i) completing the integration of physical model code into the general error model framework; this code accommodates a wide range of linear/nonlinear source models, fixed/ random effects, and frequentist/Bayesian analyses (the purpose of which is not to dictate to users how to analyze data, but instead to allow users the maximum flexibility in their work); ii) illustrative application of code to identified data, and; iii) initial planning with AFTAC researchers on delivery of code to the Common Development Environment at AFTAC, and continued writing of the planned final journal article submission (year two of this progress report), with particular emphasis on descriptions of data identified for this effort.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Tokamak Disruption Simulation (Final Technical Report)

The Tokamak Disruption Simulation collaboration was a SciDAC (Scientific Discovery through Advanced Computing) program led by Xianzhu Tang of the Los Alamos National Laboratory but with separate grants to each institution. I was the PI for Columbia University and the only person at Columbia directly funded by this SciDAC. Disruptions are a sudden loss of confinement in tokamaks, and a reliable method of preventing disruptions must be developed before tokamak fusion power plants become feasible. A related plasma confinement concept, the stellarator, is the only way known way of preventing disruptions with the required reliability. The largest devices, both existing and under construction, for confining plasmas for fusion using magnetic fields are tokamaks, so it is important to solve their disruption issues. The sudden loss of confinement in tokamaks can be from a bit of material falling into the plasma, which causes the plasma energy to be quickly lost by radiation, or by an instability causing a breakup of the confining surfaces formed by the magnetic field. This breakup can occur more than a million times faster than one would naively think possible. The sudden breakup of surfaces is called a fast magnetic reconnection and also results in a sudden cooling of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pioneer 10 and 11 Data Analysis

This report finishes the work of NASA Grant NAS2-153, which supported data analysis for the UCSD instruments on Pioneers 10 and 11. The data analyzed under this grant span 22 years of interplanetary measurements in the inner and outer heliosphere. The UCSD instruments made their mark in cosmic ray research based upon their high energy thresholds, directional responses, and reliable data streams. one of their primary scientific objectives concerns the size, configuration, and time behavior of the heliosphere. The size scale is inferred from the radial intensity gradient, which is measured between the two spacecraft and extrapolated to interstellar intensity levels at the cosmic ray modulation boundary. This boundary still eludes us, and its position, motion, and the best method of extrapolation are ongoing problems. Current projections place the boundary beyond 100 AU, which may be beyond the termination shock, and raises the question of possible modulation in the heliosheath. Probably our only hope of seeing this region in the immediate future rides on the possibility that the boundary will move inward. Our instruments have recorded many Forbush, or transient, decreases in the outer heliosphere. These observations led us to a model that attributes many of the decreases to solar wind stream-stream interactions, and relates the cosmic ray variations to the locally observed magnetic field magnitude. As the cosmic ray variations in this model result only from topological changes in the modulation integral, the model is a tool for studying the possibility that the 11 year cosmic ray modulation cycle can be accounted for by a superposition of Forbush decreases. The cosmic ray angular distribution function is measurable, given a good telemetry rate, by the UCSD Cerenkov detector which counts particles of energy greater than 500 MeV/n. We obtained statistically significant samples from 1 to 9 AU, at 13 AU, and at 34 AU. The anisotropy tends to be a few tenths of a per cent at all radial distances. A quasiperiodic variation in the east-west anisotropy with period of about 50 days remains unexplained.

Fillius, Walker↗

First Results of the Expedition to the Highest Lake on Earth: Studying a Martian Paleolake in Bolivia and the Survival Strategies Developed by Living Organisms

Between October 16th and November 9th 2002, the first NASA Ames DDF Licancabur multidisciplinary expedition initiated the investigation of the biology and environment for life in the highest lake on Earth located at the summit of the Licancabur volcano (6017 m/20,056 ft) at the boundary of Chile and Bolivia. The low oxygen, low atmospheric pressure, high-UV radiation, average temperature, volcano-tectonic and hydrothermal environment make the site a close analog to Martian paleolakes 3.5 billion years ago. The overall goal of the project is to understand through a series of high altitude scientific expeditions what strategies life is using to defend itself against killer-level UV radiation and environmental extreme conditions at this altitude. Several other lakes are located at 4300 m at the foot of the Licancabur volcano (hereafter named laguna Blanca and Laguna Verde). They were also investigated using identical experiments and methods as for the summit lake in order to compare the results and better understand the evolution of survival strategies at transitioning elevations. The lagunas are geothermally heated and many springs provide water at various temperatures. Sources of heat are also suspected for the summit lake as its surface water temperature was measured during the successful ascent at +6 C in a -9 C ambient crater environment (with a wind chill factor of -25 C with a wind blowing almost constantly). Results of this project are expected to provide critical keys to help searching and identifying potential sites for life (extant/extinct) on Mars and developing instruments, experiments and technologies for future missions.

Cabrol, N. A.↗

Can Regulatory Bodies Expect Efficient Help from Formal Methods?

In the context of EDEMOI - a French national project that proposed the use of semiformal and formal methods to infer the consistency and robustness of aeronautical regulations through the analysis of faithfully representative models- a methodology had been suggested (and applied) to different (safety and security-related) aeronautical regulations. This paper summarizes the preliminary results of this experience by stating which were the methodology s expected benefits, from a scientific point of view, and which are its useful benefits, from a regulatory body s point of view.

Lopez Ruiz, Eduardo R.↗