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At least 631 records · Page 35

On-board Science Understanding: NASA Ames' Efforts

In the near future NASA intends to explore various regions of our solar system using robotic devices such as rovers, spacecraft, airplanes, and/or balloons. Such platforms will likely carry imaging devices, and a variety of analytical instruments intended to evaluate the chemical and mineralogical nature of the environment(s) that they encounter. Historically, mission operations have involved: (1) return of scientific data from the craft; (2) evaluation of the data by space scientists; (3) recommendations of the scientists regarding future mission activity; (4) commands for achieving these activities being transmitted to the craft; and (5) the activity being undertaken. This cycle is then repeated for the duration of the mission with command opportunities once or perhaps twice per day. In a rapidly changing environment, such as might be encountered by a rover traversing hundreds of meters a day or a spacecraft encountering an asteroid, this historical cycle is not amenable to rapid long range traverses, discovery of novelty, or rapid response to any unexpected situations. In addition to real-time response issues, the nature of imaging and/or spectroscopic devices are such that tremendous data volumes can be acquired, for example during a traverse. However, such data volumes can rapidly exceed on-board memory capabilities prior to the ability to transmit it to Earth. Additionally, the necessary communication band-widths are restrictive enough so that only a small portion of these data can actually be returned to Earth. Such scenarios clearly require the enabling of some crucial decisions to be made on-board by these robotic explorers. These decisions transcend the electromechanical control, health, and navigation issues associated with robotic operations. Instead they focus upon a long term goal of automating scientific discovery based upon data returned by sensors of the robot craft. Such an approach would eventually enable it to understand what is interesting because the data deviates from expectations generated by current theories/models of planetary processes that could have resulted in the observed data. Such interesting data and/or conclusions can then be selectively transmitted to Earth thus reducing memory and communications demands.

Roush, Ted L.↗

Short- vs . long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon( II ) spin crossover grid complex observed by time-resolved X-Ray crystallography

Spin crossover complexes (SCO) are among the most studied molecular switches due to their potential use in displays, sensors, actuators and memory components. A prerequisite to using these materials is the understanding of the structural changes following the spin transition at out-of-equilibrium conditions. So far, out-of-equilibrium studies in SCO solids have been focused on mononuclear complexes, though a growing number of oligonuclear SCO complexes showing cooperative effects are being reported. Here, we use time-resolved pink Laue crystallography to study the out-of-equilibrium dynamics of a [2 × 2] tetranuclear metallogrid of the form [Fe II 4 L Me 4 ](BF 4 ) 4 ·2MeCN ([L Me ] - = 4-methyl-3,5-bis{6-(2,2'-bipyridyl)}pyrazolate). The out-of-equilibrium spin state switching induced by a ps laser pulse demonstrates that the metallogrid exhibits a multi-step response similar to that reported for mononuclear complexes. Contrary to the mononuclear complexes, the metallogrid shows two types of elastic distortions at different time scales. The first is a short-range distortion that propagates over the entire Fe 4 grid complex during the ps time scale, and it is caused by the rearrangement of the coordination sphere of the photo-switching ion and the constant feedback between strongly linked metal ions. The second is a long-range distortion caused by the anisotropic expansion of the lattice during the ns time scale, observed in mononuclear materials. The structural analysis demonstrates that the long-range prevails over the short-range distortion, inducing the largest deformation of both the entire grid and the coordination sphere of each metal ion. The present study sheds light on the out-of -equilibrium dynamics of a non-cooperative oligonuclear complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing the nonexponential decay regime in open quantum systems

The most important law of radioactivity is that of the exponential decay. In the realm of quantum mechanics, however, this decay law is neither rigorous nor fundamental. The deviations from the exponential decay have been observed experimentally at the early stage of a decay process, but there is little evidence for non-exponential behavior at long times. Yet such long-term non-exponentiality is expected theoretically to probe the non-resonant background components of the initial wave function which preserve the structural interference and the memory of how the state was created. In this paper, we propose new observables that can be used for experimental investigations of the post-exponential decay regime, including the decay of threshold resonances, particle correlations in three-body decays, and interference between near-lying resonances. While the specific examples presented in this work pertain to atomic nuclei, the properties of non-exponential decay are generic, i.e., they apply to other many-body open quantum systems, such as hadrons, atoms, molecules, and nanostructures.

6 ≤ A ≤ 19↗

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains

Magnetic force microscopy (MFM) enables mapping local magnetic fields across a sample surface with nanoscale resolution. To perform MFM, an atomic force microscopy (AFM) probe whose tip has been magnetized vertically (i.e., perpendicular to the probe cantilever) is oscillated at a fixed height above the sample surface. The resultant shifts in the oscillation phase or frequency, which are proportional to the magnitude and sign of the vertical magnetic force gradient at each pixel location, are then tracked and mapped. Although the spatial resolution and sensitivity of the technique increases with decreasing lift height above the surface, this seemingly straightforward path to improved MFM images is complicated by considerations such as minimizing topographical artifacts due to shorter range van der Waals forces, increasing the oscillation amplitude to further improve sensitivity, and the presence of surface contaminants (in particular water due to humidity under ambient conditions). In addition, due to the orientation of the probe's magnetic dipole moment, MFM is intrinsically more sensitive to samples with an out-of-plane magnetization vector. Here, high-resolution topographical and magnetic phase images of single and bicomponent nanomagnet artificial spin-ice (ASI) arrays obtained in an inert (argon) atmosphere glovebox with <0.1 ppm O 2 and H 2 O are reported. Further, optimization of lift height and drive amplitude for high resolution and sensitivity while simultaneously avoiding the introduction of topographical artifacts is discussed, and detection of the stray magnetic fields emanating from either end of the nanoscale bar magnets (~250 nm long and <100 nm wide) aligned in the plane of the ASI sample surface is shown. Likewise, using the example of a Ni-Mn-Ga magnetic shape memory alloy (MSMA), MFM is demonstrated in an inert atmosphere with magnetic phase sensitivity capable of resolving a series of adjacent magnetic domains each ~200 nm wide.

47 OTHER INSTRUMENTATION↗

Functional expansion representations of artificial neural networks

In the past few years, significant interest has developed in using artificial neural networks to model and control nonlinear dynamical systems. While there exists many proposed schemes for accomplishing this and a wealth of supporting empirical results, most approaches to date tend to be ad hoc in nature and rely mainly on heuristic justifications. The purpose of this project was to further develop some analytical tools for representing nonlinear discrete-time input-output systems, which when applied to neural networks would give insight on architecture selection, pruning strategies, and learning algorithms. A long term goal is to determine in what sense, if any, a neural network can be used as a universal approximator for nonliner input-output maps with memory (i.e., realized by a dynamical system). This property is well known for the case of static or memoryless input-output maps. The general architecture under consideration in this project was a single-input, single-output recurrent feedforward network.

Gray, W. Steven↗

Spiers Memorial Lecture: activating metal sites for biological electron transfer

Metal sites in biology often exhibit unique spectroscopic features that reflect novel geometric and electronic structures imposed by the protein that are key to reactivity. The blue copper active site involved in long range, rapid biological electron transfer is a classic example. This review presents an overview of both traditional and synchrotron based spectroscopic methods and their coupling to electronic structure calculations to understand the unique features of the blue copper active site, their contributions to function and the role of the protein in determining the geometric and electronic structure of the active site (called the “entatic state”). The relation of this active site to other biological electron transfer sites is further developed. Specifically, ultrafast XFEL spectroscopy is used to evaluate the methionine–S–Fe bond in cytochrome c, and its entatic control by the protein in determining function (electron transfer vs. apoptosis).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Access Patterns and Performance Behaviors of Multi-layer Supercomputer I/O Subsystems under Production Load

Scientific computing workloads at HPC facilities have been shifting from traditional numerical simulations to AI/ML applications for training and inference while processing and producing ever-increasing amounts of scientific data. To address the growing need for increased storage capacity, lower access latency, and higher bandwidth, emerging technologies such as non-volatile memory are integrated into supercomputer I/O subsystems. With these emerging trends, we need a better understanding of the multilayer supercomputer I/O systems and ways to use these subsystems efficiently. In this work, we study the I/O access patterns and performance characteristics of two representative supercomputer I/O subsystems. Through an extensive analysis of year-long I/O logs on each system, we report new observations in I/O reads and writes, unbalanced use of storage system layers, and new trends in user behaviors at the HPC I/O middleware stack.

Bez, JL↗

Hybrid magnon-phonon localization enhances function near ferroic glassy states

Ferroic materials on the verge of forming ferroic glasses exhibit heightened functionality that is often attributed to competing long- and short-range correlations. However, the physics underlying these enhancements is not well understood. The Ni 45 Co 5 Mn 36.6 In 13.4 Heusler alloy is on the edge of forming both spin and strain glasses and exhibits magnetic field–induced shape memory and large magnetocaloric effects, making it a candidate for multicaloric cooling applications. We show using neutron scattering that localized magnon-phonon hybrid modes, which are inherently spread across reciprocal space, act as a bridge between phonons and magnons and result in substantial magnetic field–induced shifts in the phonons, triple the caloric response, and alter phase stability. We attribute these modes to the localization of phonons and magnons by antiphase boundaries coupled to magnetic domains. Because the interplay between short- and long-range correlations is common near ferroic glassy states, our work provides general insights on how glassiness enhances function.

36 MATERIALS SCIENCE↗

NASA and COTS Electronics: Past Approach and Successes - Future Considerations

NASA has a long history of using commercial grade electronics in space. In this talk, a brief history of NASAâ's trends and approaches to commercial grade electronics focusing on processing and memory systems will be presented. This will include providing summary information on the space hazards to electronics as well as NASA mission trade space. We will also discuss developing recommendations for risk management approaches to Electrical, Electronic and Electromechanical (EEE) parts and reliability in space. The final portion of the talk will discuss emerging aerospace trends and the future for Commercial Off The Shelf (COTS) usage.

LaBel, Kenneth A.↗

Optical quantum memory for noble-gas spins based on spin-exchange collisions

Optical quantum memories, which store and preserve the quantum state of photons, rely on a coherent mapping of the photonic state onto matter states that are optically accessible. Here we outline and characterize schemes to map the state of photons onto long-lived but optically inaccessible collective states of noble-gas spins. The mapping employs coherent spin-exchange interaction arising from random collisions with alkali vapor. We propose efficient storage strategies in two operating regimes and analyze their performance for several proposed experimental configurations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗

Long distance quantum communication using quantum error correction

We describe a quantum error correction scheme that can increase the effective absorption length of the communication channel. This device can play the role of a quantum transponder when placed in series, or a cyclic quantum memory when inserted in an optical loop.

quantum memory quantum repeater↗

Immune Dysregulation Following Short versus Long Duration Space Flight

Immune system dysregulation has been demonstrated to occur during spaceflight and has the potential to cause serious health risks to crewmembers participating in exploration-class missions. A comprehensive immune assessment was recently performed on 13 short duration Space Shuttle crewmembers and 8 long duration International Space Station (ISS) crewmembers. Statistically significant post-flight phenotype alterations (as compared to pre-flight baseline) for the Shuttle crewmembers included: granulocytosis, increased percentage of B cells, reduced percentage of NK cells, elevated CD4/CD8 ratio, elevated levels of memory CD4+ T cells, and a CD8+ T cell shift to a less differentiated state. For the Shuttle crewmembers, T cell function was surprisingly elevated post-flight, among both the CD4+ and CD8+ subsets. This is likely an acute stress response in less-deconditioned crewmembers. The percentage of CD4+/IL-2+, CD4+/IFNg+ and CD8+/IFNg+ T cells were all decreased at landing. Culture secreted IFNg production was significantly decreased at landing, whereas production of Th2 cytokines was largely unchanged. It was found that the IFNg:IL-10 ratio was obviously declined in the Shuttle crewmembers immediately post-flight. A similar pattern of alterations were observed for the long duration ISS crewmembers. In contrast to Shuttle crewmembers, the ISS crewmembers demonstrated a dramatic reduction in T cell function immediately post-flight. This may be related to the effect of acute landing stress in conjunction with prolonged deconditioning associated with extended flight. The reduction in IFNg:IL-10 ratio (Th2 shift) was also observed post-flight in the ISS crewmembers to a much higher degree. These data indicate consistent peripheral phenotype changes and altered cytokine production profiles occur following space travel of both short and long duration.

Crucian, Brian E.↗

Studying performance portability of LAMMPS across diverse GPU-based platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA's fast-fourier transform (FFT) library, and, more recently, also support for AMD's Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting communication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. In conclusion, the selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard–Jones potentials on Crusher and Summit.

97 MATHEMATICS AND COMPUTING↗

Supramolecular Control of Ionic Retention in Electrolyte-Gated Synaptic Transistors

Electrolyte-gated transistors with ion-trapping layers offer a promising platform for artificial synapses in neuromorphic computing, yet molecular mechanisms governing ionic retention remain poorly understood. Here, in this study, we present a supramolecular approach to modulate ion retention by incorporating a crown ether derivative-based polymer network as an ion-trapping layer on top of a semiconducting monolayer. We show that the balance between ion–host binding and ion–solvent interactions dictates the kinetics of ion capture and release, which in turn controls the memory characteristics of the device. By varying the solvent dielectric constant, we tune the ionic retention time from nearly permanent trapping to rapid relaxation. Intermediate solvent polarity enables programmable short- and long-term synaptic behaviors, including excitatory postsynaptic current, paired-pulse facilitation, and long-term potentiation and depression. These findings establish a direct link between supramolecular ion recognition and synaptic plasticity and provide a generalizable design strategy for ionic–electronic neuromorphic devices.

36 MATERIALS SCIENCE↗

Read-write holographic memory with iron-doped lithium niobate

The response of iron doped lithium niobate under conditions corresponding to hologram storage and retrieval is described, and the material's characteristics are discussed. The optical sensitivity can be improved by heavy chemical reduction of lightly doped crystals such that most of the iron is in the divalent state, the remaining part being trivalent. The best reduction process found to be reproducible so far is the anneal of the doped crystal in the presence of a salt such as lithium carbonate. It is shown by analysis and simulation that a page-oriented read-write holographic memory with 1,000 bits per page would have a cycle time of about 60 ms and a signal-to-noise ratio of 27 db. This cycle time, although still too long for a practical system, represents an improvement of two orders of magnitude over that of previous laboratory prototypes using different storage media.

Alphonse, G. A.↗

Anisotropic Optical-Response of Eu-doped Yttrium Orthosilicate

Eu-doped yttrium orthosilicate (Eu(3+) : Y2SiO5) had been a subject being investigated for coherent time-domain optical memory and information processing applications since its ultraslow optical dephasing was discovered several years ago. In this crystal the weakly allowed (7)F0 - (5)D0 transition of europium ions exhibits a sufficient long dephasing time and no spectral difli.usion on a time scale of several hours at low temperature, thus an information pattern or data can be stored as a population grating in the ground state hyperfine levels. On the other hand, the study on photon-echo relaxation shows that the dephasing time T2 of Eu (3+) and other rare-earth ions doped YAG, YAlO3 strongly depends on the intensity of the excitation pulses. In Eu (3+) :YAlO3, an exponential decay of photon-echo with T2 = 53 microseconds if the excitation pulses are weak (5 vJ/pulse) was observed. However, when the excitation pulses are strong (80 pJ/pulse) they observed a much shortened T2 with a highly nonexponential decay pattern. The conclusion they derived is that the intensity-dependent dephasing rate effects are quite general, and it depends on how much the excitation intensity varies. In this paper we use transient grating formation technique showing that a temporal lattice distortion may only occur along crystal c axis, caused by EU (3+) excitation. At high excitation level the produced exciton in conduction band may also couple to the dynamical lattice relaxation process, giving rise to an apparently much shortened dephasing time.

Liu, Huimin↗