Quantum simulation of the spin- 1 2 XYZ model using solid-state spin centers
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Materials Science↗
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Two-axis twisting using Floquet-engineered XYZ spin models with polar molecules
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Science & Technology - Other Topics↗
Geometric decoherence time in Lindbladian dynamics
The onset of decoherence in open many-body systems lacks a dynamical timescale grounded in the loss of bipartite entanglement. Here, we introduce the geometric decoherence time, defined as the earliest moment the monotone relation between logarithmic negativity and Rényi-$\frac{1}{2}$ entropy—exactly equal across any bipartition for pure states—breaks down under open-system evolution, signaling entropy growth without accompanying entanglement growth. We establish this criterion in both single-particle Gaussian dynamics and many-body Lindbladian evolution. We show that quantum mutual information provides a complementary long-time diagnostic: Its asymptotic vanishing is equivalent to factorization of the steady state across the bipartition, a condition strictly stronger than separability, and whenever a product steady state is approached exponentially in trace norm, negativity and mutual information share the same decay rate. In the presence of a strong symmetry, this tracking can fail—residual classical correlations can survive after entanglement has vanished. In the Kitaev chain with balanced gain and loss, we derive a closed-form solution and show that the topological phase sustains longer coherence times than the trivial phase at identical dissipation, with a local minimum at the chiral-symmetric point. In the interacting XXZ chain, exact many-body evolution shows that local 𝑍 dephasing preserves residual classical correlations, whereas gain and loss restore the mutual-information tracking of negativity. Furthermore, our results establish the geometric decoherence time as a dynamical scale tracking the onset of decoherence.
74 ATOMIC AND MOLECULAR PHYSICS↗
Planetary Image Geometry Library
The Planetary Image Geometry (PIG) library is a multi-mission library used for projecting images (EDRs, or Experiment Data Records) and managing their geometry for in-situ missions. A collection of models describes cameras and their articulation, allowing application programs such as mosaickers, terrain generators, and pointing correction tools to be written in a multi-mission manner, without any knowledge of parameters specific to the supported missions. Camera model objects allow transformation of image coordinates to and from view vectors in XYZ space. Pointing models, specific to each mission, describe how to orient the camera models based on telemetry or other information. Surface models describe the surface in general terms. Coordinate system objects manage the various coordinate systems involved in most missions. File objects manage access to metadata (labels, including telemetry information) in the input EDRs and RDRs (Reduced Data Records). Label models manage metadata information in output files. Site objects keep track of different locations where the spacecraft might be at a given time. Radiometry models allow correction of radiometry for an image. Mission objects contain basic mission parameters. Pointing adjustment ("nav") files allow pointing to be corrected. The object-oriented structure (C++) makes it easy to subclass just the pieces of the library that are truly mission-specific. Typically, this involves just the pointing model and coordinate systems, and parts of the file model. Once the library was developed (initially for Mars Polar Lander, MPL), adding new missions ranged from two days to a few months, resulting in significant cost savings as compared to rewriting all the application programs for each mission. Currently supported missions include Mars Pathfinder (MPF), MPL, Mars Exploration Rover (MER), Phoenix, and Mars Science Lab (MSL). Applications based on this library create the majority of operational image RDRs for those missions. A Java wrapper around the library allows parts of it to be used from Java code (via a native JNI interface). Future conversions of all or part of the library to Java are contemplated.
Deen, Robert C.↗
Data and scripts associated with the manuscript evaluating the hydrologic responses of the Pacific Northwest watersheds to wildfires (v2)
This data package is associated with the publication “Evaluating Post-fire Watershed Response to Varying Burn Severity and Precipitation Regimes Using Fully-distributed and Integrated Hydrologic Models” submitted to Journal of Hydrology (Li et al. 2025). In this study, we employed the Advanced Terrestrial Simulator (ATS), an integrated watershed model that couples surface flow, subsurface flow, and canopy biophysical processes, to investigate post-fire hydrologic responses in a few selected watersheds with varying burn severity.The data package contains the required input data (meteorological forcing, Leaf Area Index, wildfire burn severities, etc.) to run the model, configuration files, the Jupyter notebooks in Python to pre-process and post-process data, the figures in the manuscript, and the modeling output files. The variables include watershed-averaged evapotranspiration, watershed-averaged surface/subsurface/canopy water content, and river discharge at watershed outlet.The data package contains a file-level metadata that lists and describes all the files contained in the data package (ATS_flmd.csv), a data dictionary file that defines columns headers across all csv files contained in the data package (ATS_dd.csv), a data package level readme file (the current file), and four zipped folders.The ‘data’ folder provides data needed to run the model in .h5, .i2s, .xyz, .shp, and .exo formats. The sub-folders are for each data types. The ‘model’ folder provides input files (.xml format) and essential model outputs. Each sub-folder provides the files from each simulated watershed. The ‘notebooks’ folder provides the Jupyter notebooks (.ipynb format) for pre- and post- processing model files, and for producing the figures in the manuscript. The ‘figures’ folder provides the figures associated with manuscript in .pdf and .png formats.The ‘model’ folder and the ‘data’ folder have been split into 5GB-large pieces using the Linux command ‘split -b 5120m model.zip model.zip.’ and ‘split -b 5120m data.zip data.zip.’, respectively. They can be merged back using the Linux command ‘cat model.zip.* > model.zip’ and ‘cat data.zip.* > data.zip’, respectively.
54 ENVIRONMENTAL SCIENCES↗
Support Routines for In Situ Image Processing
This software consists of a set of application programs that support ground-based image processing for in situ missions. These programs represent a collection of utility routines that perform miscellaneous functions in the context of the ground data system. Each one fulfills some specific need as determined via operational experience. The most unique aspect to these programs is that they are integrated into the large, in situ image processing system via the PIG (Planetary Image Geometry) library. They work directly with space in situ data, understanding the appropriate image meta-data fields and updating them properly. The programs themselves are completely multimission; all mission dependencies are handled by PIG. This suite of programs consists of: (1)marscahv: Generates a linearized, epi-polar aligned image given a stereo pair of images. These images are optimized for 1-D stereo correlations, (2) marscheckcm: Compares the camera model in an image label with one derived via kinematics modeling on the ground, (3) marschkovl: Checks the overlaps between a list of images in order to determine which might be stereo pairs. This is useful for non-traditional stereo images like long-baseline or those from an articulating arm camera, (4) marscoordtrans: Translates mosaic coordinates from one form into another, (5) marsdispcompare: Checks a Left Right stereo disparity image against a Right Left disparity image to ensure they are consistent with each other, (6) marsdispwarp: Takes one image of a stereo pair and warps it through a disparity map to create a synthetic opposite- eye image. For example, a right eye image could be transformed to look like it was taken from the left eye via this program, (7) marsfidfinder: Finds fiducial markers in an image by projecting their approximate location and then using correlation to locate the markers to subpixel accuracy. These fiducial markets are small targets attached to the spacecraft surface. This helps verify, or improve, the pointing of in situ cameras, (8) marsinvrange: Inverse of marsrange . given a range file, re-computes an XYZ file that closely matches the original. . marsproj: Projects an XYZ coordinate through the camera model, and reports the line/sample coordinates of the point in the image, (9) marsprojfid: Given the output of marsfidfinder, projects the XYZ locations and compares them to the found locations, creating a report showing the fiducial errors in each image. marsrad: Radiometrically corrects an image, (10) marsrelabel: Updates coordinate system or camera model labels in an image, (11) marstiexyz: Given a stereo pair, allows the user to interactively pick a point in each image and reports the XYZ value corresponding to that pair of locations. marsunmosaic: Extracts a single frame from a mosaic, which will be created such that it could have been an input to the original mosaic. Useful for creating simulated input frames using different camera models than the original mosaic used, and (12) merinverter: Uses an inverse lookup table to convert 8-bit telemetered data to its 12-bit original form. Can be used in other missions despite the name.
Deen, Robert G.↗
Steptoe Valley NV Data Compilation: Understanding a Stratigraphic Hydrothermal Resource through Geophysical Imaging
Sandia National Laboratories partnered with a multi-disciplinary group of subject matter experts to evaluate a stratigraphic geothermal resource in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. Provided here are a compilation of newly acquired data over the area and select modeling efforts. This encompasses a 3D geological model (inclusive of full Leapfrog files, Leapfrog viewer files, and XYZ data for faults and stratigraphy) with embedded geophysical modeling, controlled-source electromagnetic (CSEM) and magnetotelluric (MT) data packages, aqueous spring geochemistry data, seismic reflection interpretations, and a gravity data package. The stratigraphic reservoir in Steptoe Valley was previously discovered during oil and gas exploration. Subsequent studies, such as the Nevada Play Fairway Analysis, added data which further highlighted potential resource targets in the basin. Geophysical surveys, complimented with refined geologic mapping and geochemical sampling, were deployed to further characterize the resource. The resulting 3D geologic interpretation, conceptual model refinements, and reservoir simulations suggest that a power-capable reservoir is economically accessible in the Paleozoic carbonates of the deep/central basin. Additional geophysical characterization and exploration drilling efforts are recommended to calibrate interpretation and determine where/how to potentially develop the Steptoe resource. The geophysical tools, interpretations, lessons learned, and publicly available data generated by this study establish an exploration methodology to inform decisions for successful development of stratigraphic reservoirs.
15 GEOTHERMAL ENERGY↗
Aerospace devices for magnetic replicas
Retained persistent magnetic field has been studied and improved in the superconductor YBa2Cu3O7 (Y123). During the study, trapped magnetic field, B(t), has been increased by over a factor of 10(exp 5). Methods used to improve magnetic field trapping were principally: (1) the adoption of the Melt Texturing process to increase grain size; (2) the addition of excess Y to disperse deposits of Y2BaCuO5 (Y211) and again increase grain size; (3) irradiation with high energy particles including 1H+, 3He++, 4He++, and fission fragments; and (4) utilizing temperatures below 77 K has also been quantified as a way to increase trapped field. In addition, in our study of B(t), we have found laws governing creep, activation, temperature dependence, creep vs. current flow, etc. In the range 20 K less than or equal to T less than or equal to 65 K, and for B less than 10 Tesla, a simple empirical relationship was found: B(trap) (T2) = B(trap) (T1) ((Tc - T2)/(Tc - T1))squared where Tc is the critical temperature. The highest experimental trapped field was B(trap) = 3.96 Tesla, at 65 K. We believe this to be the highest persistent field ever produced, by any method. A two component model of the persistent currents has been developed. This accurately reproduces the data, using as parameters only the magnitude of a constant surface current, J(s), and a constant volume current J(v). The model successfully predicts B(t) (xyz) for the case of maximum trapped field, for all samples observed. It has also been extended to describe the unsaturated case either zero field cooled, or field cooled. Loss of strap with time has been studied for the critical state (Bt,max), and non critical state (Bt less than Bt,max), for times from a few minutes to a few months, for unirradiated material, for irradiation by 1H+, 3He++, 4He++, high z projectiles, and neutrons, and for all materials used in the overall study. We conclude that: (1) multi Tesla trapped fields are attained; (2) fields over 10 T are achievable; (3) creep is not a large problem; (4) application is feasible to motors, generators, magnets for particle beam optics, separators, levitating bearings, energy storage, shielding, and transportation.
Weinstein, Roy↗
Computer graphics testbed to simulate and test vision systems for space applications
A system was developed for displaying computer graphics images of space objects and the use of the system was demonstrated as a testbed for evaluating vision systems for space applications. In order to evaluate vision systems, it is desirable to be able to control all factors involved in creating the images used for processing by the vision system. Considerable time and expense is involved in building accurate physical models of space objects. Also, precise location of the model relative to the viewer and accurate location of the light source require additional effort. As part of this project, graphics models of space objects such as the Solarmax satellite are created that the user can control the light direction and the relative position of the object and the viewer. The work is also aimed at providing control of hue, shading, noise and shadows for use in demonstrating and testing imaging processing techniques. The simulated camera data can provide XYZ coordinates, pitch, yaw, and roll for the models. A physical model is also being used to provide comparison of camera images with the graphics images.
Cheatham, John B.↗
Utah FORGE: 2024 Discrete Fracture Network Model Data
The Utah FORGE 2024 Discrete Fracture Network (DFN) Model dataset provides a set of files representing discrete fracture network modeling for the FORGE site near Milford, Utah. The dataset includes four distinct DFN model file sets, each corresponding to different time frames and modeling approaches in 2024. These models characterize both natural and induced fractures in the geothermal reservoir, which consists of crystalline granitic and metamorphic rock approximately 8,000 feet below the ground surface. The dataset includes a reference DFN model from February 2024 that incorporates planar fractures and well trajectories, as well as upscaled permeability, porosity, compressibility, and storage values on specified grids. Additionally, there are models based on new microseismic (MEQ) data from May and July 2024, including fracture planes fitted to the latest MEQ catalog datasets, tensile fractures from hydraulic stimulation, and an alternative connected DFN for modeling purposes. Coordinate data is provided in both global and local frames, with detailed instructions on the transformations used to align with principal stress orientations. The dataset also includes notes and calculation files for estimating fracture sizes and differences between various fracture sets. There are subfolders for Global Coordinates and Local Coordinates. To move from the global to the local coordinate frame, fractures and wells were a) rotated 20 degrees counterclockwise looking down about the global point (335376.400482041, 4263189.99998761, 250.093546450195) to better align with the principal stresses; and b) translated by (-335408.68, -4263010.9, 1150). Upscaled permeability values using the _XYZ suffix show directions with respect to the global XYZ coordinate frame, while those using the _IJK suffix are aligned with local coordinate frame.
15 GEOTHERMAL ENERGY↗
Hydrated Metal and Metal-Nitrate Complexes in Water: Full Lanthanide(III) Series plus Miscellaneous Metal Ions
This is a dataset of hydrated metal complexes and metal–nitrate hydrated complexes intended for public use, reproducibility, and downstream structural analysis. A key feature is coverage across the full lanthanide(III) series (La–Lu), enabling systematic comparisons of coordination motifs and bonding trends across the entire lanthanide sequence. In addition to the lanthanides, the dataset also includes other metal ions such as UO2(VI), Fe(II), and Fe(III). The dataset provides optimized geometries for hydrated and nitrate-containing hydrated complexes, together with representative ab initio molecular dynamics (AIMD) trajectories saved in standard XYZ formats. The accompanying NWChem input decks enable reproduction of the reported calculations and provide a starting point for extending the simulations to related coordination environments. Computationally, DFT calculations employ the B3LYP functional with DFT-D3BJ dispersion corrections and a COSMO continuum solvent model (dielectric constant 78.4) to represent solvation beyond the explicitly treated first hydration shell. AIMD simulations are performed with the NWChem qmd module at 298 K, integrating nuclear motion with the velocity-Verlet algorithm and controlling temperature using a Nosé–Hoover thermostat. Trajectories are approximately 4.8 ps in length and are used primarily to assess short-time stability of candidate coordination motifs, including (for lanthanides) differences between 8- versus 9-water coordination and comparisons between nitrate-bound and nitrate-free hydrated complexes.
Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
Influence of Core and Hexapod Geometry, and Local Reinforcement on the Performance of Ultra-Lightweight ULE Mirror
The Habitable Exoplanet Observatory (HabEx) mission has unique optical performance requirements which drive the mirror design process beyond the traditional criteria. While mass and stiffness are still important, the response to inertia loading (expressed in terms of Zernike coefficients) to omni-directional excitation dominates the effort. While a Zerodur mirror is the current baseline, as mass budgets change, a ULE design is being studied as a potential alternative. This trade study looked at over 264 design variations using the Arnold Mirror Modeler and ANSYS(c) to investigate the influence of various design elements, including: substrate thickness, core cell size, hexapod geometry and local reinforcement. Design 'goodness' was evaluated based on the mirror's inertial deformation response to omni-directional input. This response was calculated via RSSing Zernike polynomial responses to (XYZ) accelerations.
Space Telescope Technology↗
Molecular Dynamics Simulation of Carbon Nanotube Based Gears
We used molecular dynamics to investigate the properties and design space of molecular gears fashioned from carbon nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. One gear was powered by forcing the atoms near the end of the buckytube to rotate, and a second gear was allowed.to rotate by keeping the atoms near the end of its buckytube on a cylinder. The meshing aromatic gear teeth transfer angular momentum from the powered gear to the driven gear. A number of gear and gear/shaft configurations were simulated. Cases in vacuum and with an inert atmosphere were examined. In an extension to molecular dynamics technology, some simulations used a thermostat on the atmosphere while the hydrocarbon gear's temperature was allowed to fluctuate. This models cooling the gears with an atmosphere. Results suggest that these gears can operate at up to 50-100 gigahertz in a vacuum or inert atmosphere at room temperature. The failure mode involves tooth slip, not bond breaking, so failed gears can be returned to operation by lowering temperature and/or rotation rate. Videos and atomic trajectory files in xyz format are presented.
Han, Jie↗
Active Layer Depth and Permafrost Temperatures at the Teller 47 Field Site, Seward Peninsula, Alaska, 2022
With extreme climate warming in the Arctic, there is increasing focus on mapping permafrost stability and improving understanding of the impacts of thawing permafrost. Summer active layer depths and temperatures at the top of the permafrost were collected at the Teller 47 field site on the Seward Peninsula, Alaska to better understand permafrost thermal state in areas of discontinuous permafrost. Measurements were taken between August 14th and August 20th, 2022. Active layer depths were measured with a 120 cm thaw probe, and temperature measurements were taken with a SpotOn Temperature probe at the top of permafrost and at a maximum depth of XYZ, when no near-surface permafrost (within 120 cm of the surface) was present. Measurements were co-located with ground surface displacement measurements, which can be found in the associated dataset, NGA254. Precise location data were collected at each observation point using a GNSS RTK GPS unit. This dataset contains a *.csv file of permafrost temperature and active layer depths and a *.kml file of measurement locations.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).
54 ENVIRONMENTAL SCIENCES↗
Rapid Process to Generate Beam Envelopes for Optical System Analysis
The task of evaluating obstructions in the optical throughput of an optical system requires the use of two disciplines, and hence, two models: optical models for the details of optical propagation, and mechanical models for determining the actual structure that exists in the optical system. Previous analysis methods for creating beam envelopes (or cones of light) for use in this obstruction analysis were found to be cumbersome to calculate and take significant time and resources to complete. A new process was developed that takes less time to complete beam envelope analysis, is more accurate and less dependent upon manual node tracking to create the beam envelopes, and eases the burden on the mechanical CAD (computer-aided design) designers to form the beam solids. This algorithm allows rapid generation of beam envelopes for optical system obstruction analysis. Ray trace information is taken from optical design software and used to generate CAD objects that represent the boundary of the beam envelopes for detailed analysis in mechanical CAD software. Matlab is used to call ray trace data from the optical model for all fields and entrance pupil points of interest. These are chosen to be the edge of each space, so that these rays produce the bounding volume for the beam. The x and y global coordinate data is collected on the surface planes of interest, typically an image of the field and entrance pupil internal of the optical system. This x and y coordinate data is then evaluated using a convex hull algorithm, which removes any internal points, which are unnecessary to produce the bounding volume of interest. At this point, tolerances can be applied to expand the size of either the field or aperture, depending on the allocations. Once this minimum set of coordinates on the pupil and field is obtained, a new set of rays is generated between the field plane and aperture plane (or vice-versa). These rays are then evaluated at planes between the aperture and field, at a desired number of steps perceived necessary to build up the bounding volume or cone shape. At each plane, the ray coordinates are again evaluated using the convex hull algorithm to reduce the data to a minimal set. When all of the coordinates of interest are obtained for every plane of the propagation, the data is formatted into an xyz file suitable for FRED optical analysis software to import and create a STEP file of the data. This results in a spiral-like structure that is easily imported by mechanical CAD users who can then use an automated algorithm to wrap a skin around it and create a solid that represents the beam.
Howard, Joseph↗
Computing and combustion
Coming into the Combustion Branch of the Turbomachinery and Propulsion Systems Division, there was not any set project planned out for me to work on. This was understandable, considering I am only at my sophmore year in college. Also, my mentor was a division chief and it was expected that I would be passed down the line. It took about a week for me to be placed with somebody who could use me. My first project was to write a macro for TecPlot. Commonly, a person would have a 3D contour volume modeling something such as a combustion engine. This 3D volume needed to have slices extracted from it and made into 2D scientific plots with all of the appropriate axis and titles. This was very tedious to do by hand. My macro needed to automate the process. There was some education I needed before I could start, however. First, TecPlot ran on Unix and Linux, like a growing majority of scientific applications. I knew a little about Linux, but I would need to know more to use the software at hand. I took two classes at the Learning Center on Unix and am now comfortable with Linux and Unix. I already had taken Computer Science I and II, and had undergone the transformation from Computer Programmer to Procedural Epistemologist. I knew how to design efficient algorithms, I just needed to learn the macro language. After a little less than a week, I had learned the basics of the language. Like most languages, the best way to learn more of it was by using it. It was decided that it was best that I do the macro in layers, starting simple and adding features as I went. The macro started out slicing with respect to only one axis, and did not make 2D plots out of the slices. Instead, it lined them up inside the solid. Next, I allowed for more than one axis and placed each slice in a separate frame. After this, I added code that transformed each individual slice-frame into a scientific plot. I also made frames for composite volumes, which showed all of the slices in the same XYZ space. I then designed an addition companion macro that exported each frame into its own image file. I then distributed the macros to a test group, and am awaiting feedback. In the meantime, a am researching the possible applications of distributed computing on the National Combustor Code. Many of our Linux boxes were idle for most of the day. The department thinks that it would be wonderful if we could get all of these idle processors to work on a problem under the NCC code. The client software would have to be easily distributed, such as in screensaver format or as a program that only ran when the computer was not in use. This project proves to be an interesting challenge.
Thompson, Daniel↗