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At least 163 records · Page 9

OpenSn: A massively parallel, open-source simulation environment for discrete ordinates radiation transport

OpenSn is an open-source, massively parallel deterministic radiation transport code for solving the discrete-ordinates ( S N ) form of the Boltzmann transport equation on unstructured, arbitrary polyhedral meshes. It supports high-fidelity simulations involving steady-state, eigenvalue, and adjoint problems for neutral particles (e.g., neutrons, photons, multi-particles), using the multigroup approximation in energy. OpenSn combines angular discretization via discrete ordinates with a discontinuous Galerkin finite element method (DGFEM) in space, enabling accurate resolution of transport physics on arbitrary polyhedral cells, included locally refined spatial grids. It includes multiple angular quadrature types, including locally refined angular quadratures. Written in modern C++ with a Python API, OpenSn runs efficiently on platforms ranging from laptops to supercomputers. The transport sweep algorithm is implemented using a task-based, directed-acyclic-graph (DAG) approach for each angle and supports asynchronous parallelism across thousands of MPI ranks. Group-set aggregation improves compute intensity, and synthetic acceleration techniques (e.g., diffusion synthetic acceleration, second-moment method) enhance solver convergence. OpenSn has been verified on reactor physics problems and demonstrated excellent weak and strong scaling performance on more than 32,768 processes, making it a versatile and robust platform for large-scale transport simulations in complex geometries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

RMCProfile7 : reverse Monte Carlo for multiphase systems

This work introduces a completely rewritten version of the programRMCProfile(version 7), big-box, reverse Monte Carlo modelling software for analysis of total scattering data. The major new feature ofRMCProfile7is the ability to refine multiple phases simultaneously, which is relevant for many current research areas such as energy materials, catalysis and engineering. Other new features include improved support for molecular potentials and rigid-body refinements, as well as multiple different data sets. An empirical resolution correction and calculation of the pair distribution function as a back-Fourier transform are now also available.RMCProfile7is freely available for download at https://rmcprofile.ornl.gov/.

Chemistry

Crystal structure of Methanococcus jannaschii dihydroorotase with substrate bound

Here, we report the X-ray structural analysis of dihydroorotase from Methanococcus jannaschii co-crystallized with dihydroorotate at pH 6.5. The crystals are isomorphous with the crystals of the apoenzyme, with space group P3 2 21 and unit-cell dimensions a = b = 111.4, c = 101.2 Å. The structure was refined to R = 0.169 and R free = 0.186 at a resolution of 1.87 Å at room temperature. During crystallization the degradative reaction took place, and the electron density in the active site corresponds to the substrate carbamoyl aspartate. Carbamoyl aspartate interacts with the protein in the active site in a manner similar to that observed for Escherichia coli and human dihydroorotases. However, the flexible loop (residues 140–151) adopts both conformations in the crystal, loop-out and loop-in, with the loop-out conformation having higher occupancy. This contrasts with our expectations for the flexible loop to be exclusively in the loop-in conformation, which is the conformation that it adopts to stabilize the binding of the substrate in the known systems. Additional studies with substrate analogs that resemble carbamoyl aspartate and different crystallization conditions would provide further insight into the conformation of the flexible loop in this system.

Methanococcus jannaschii

Time-dependent calculation of a forced mixing layer using a k-epsilon turbulence model

A two-dimensional-dependent calculation of a forced turbulent mixing layer is reported. The approach employs a k-epsilon turbulence model to represent the effects of motions which are three dimensional or out of phase with the forcing cycle. Calculations that correspond to conditions of the measurements of Weisbrot (1984) and Weisbrot and Wygnanski (1988) indicate that the main features of the mixing layer development are captured by the computation. The effect of grid refinement on the computed result indicates the importance of adequate resolution of the near field in correctly reproducing the flow evolution. The inlet boundary condition, similarly, is shown to play a decisive role in determining subsequent development.

Macinnes, J. M.

Defining the Polar Vortex Edge Using an N2O: Potential Temperature Correlation Versus the Nash Criterion: A Comparison

A prerequisite to study phenomena in the winter stratospheric polar vortex is the separation of measurements inside and outside the dynamical barrier of the vortex edge. We describe a technique to accurately determine the inner edge of the vortex boundary region from measurements of potential temperature and a trace gas, such as N2O, and apply it to in situ aircraft and balloon measurements from the SOLVE/THESE02000 Arctic campaign. The method may be used to refine the Nash algorithm, which, due to the inherently coarser resolution of potential vorticity on which it is dependent, may misidentify the inner edge by up to 466 km, and omit the identification of small, extra-vortex filaments within the vortex.

Greenblatt, Jeffery B.

Defining the Polar Vortex Edge from a N20: Potential Temperature Correlation

A prerequisite to studying phenomena in the winter stratospheric polar vortex is the separation of measurements inside and outside the dynamical barrier of the vortex edge. We describe a technique to accurately determine the inner edge of the vortex boundary region from measurements of potential temperature and a trace gas, such as N2O, and apply it to in situ aircraft and balloon measurements from the SOLVE/THESEO 2000 Arctic campaign. The method may be used to refine the Nash algorithm, which, due to the inherently coarser resolution of potential vorticity on which it is dependent, may misidentify the inner edge by more than 400 km and omit the identification of small, extravortex filaments within the vortex.

Greenblatt, Jeffery B.

U.S. Eastern Continental Shelf Carbon Cycling (USECoS): Modeling, Data Assimilation, and Analysis

Although the oceans play a major role in the uptake of fossil fuel CO2 from the atmosphere, there is much debate about the contribution from continental shelves, since many key shelf fluxes are not yet well quantified: the exchange of carbon across the land-ocean and shelf-slope interfaces, air-sea exchange of CO2, burial, and biological processes including productivity. Our goal is to quantify these carbon fluxes along the eastern U.S. coast using models quantitatively verified by comparison to observations, and to establish a framework for predicting how these fluxes may be modified as a result of climate and land use change. Our research questions build on those addressed with previous NASA funding for the USECoS (U.S. Eastern Continental Shelf Carbon Cycling) project. We have developed a coupled biogeochemical ocean circulation model configured for this study region and have extensively evaluated this model with both in situ and remotely-sensed data. Results indicate that to further reduce uncertainties in the shelf component of the global carbon cycle, future efforts must be directed towards 1) increasing the resolution of the physical model via nesting and 2) making refinements to the biogeochemical model and quantitatively evaluating these via the assimilation of biogeochemical data (in situ and remotely-sensed). These model improvements are essential for better understanding and reducing estimates of uncertainties in current and future carbon transformations and cycling in continental shelf systems. Our approach and science questions are particularly germane to the carbon cycle science goals of the NASA Earth Science Research Program as well as the U.S. Climate Change Research Program and the North American Carbon Program. Our interdisciplinary research team consists of scientists who have expertise in the physics and biogeochemistry of the U.S. eastern continental shelf, remote-sensing data analysis and data assimilative numerical models.

Mannino, Antonio

The Effect of Magnetic Topology on the Escape of Flare Particles

Magnetic reconnection in the solar atmosphere is believed to be the driver of most solar explosive phenomena. Therefore, the topology of the coronal magnetic field is central to understanding the solar drivers of space weather. Of particular importance to space weather are the impulsive Solar Energetic particles that are associated with some CME/eruptive flare events. Observationally, the magnetic configuration of active regions where solar eruptions originate appears to agree with the standard eruptive flare model. According to this model, particles accelerated at the flare reconnection site should remain trapped in the corona and the ejected plasmoid. However, flare-accelerated particles frequently reach the Earth long before the CME does. We present a model that may account for the injection of energetic particles onto open magnetic flux tubes connecting to the Earth. Our model is based on the well-known 2.5D breakout topology, which has a coronal null point (null line) and a four-flux system. A key new addition, however, is that we include an isothermal solar wind with open-flux regions. Depending on the location of the open flux with respect to the null point, we find that the flare reconnection can consist of two distinct phases. At first, the flare reconnection involves only closed field, but if the eruption occurs close to the open field, we find a second phase involving interchange reconnection between open and closed. We argue that this second reconnection episode is responsible for the injection of flare-accelerated particles into the interplanetary medium. We will report on our recent work toward understanding how flare particles escape to the heliosphere. This work uses high-resolution 2.5D MHD numerical simulations performed with the Adaptively Refined MHD Solver (ARMS).

Antiochos, S. K.

A Model for SEP Escape

Magnetic reconnection in the solar atmosphere is believed to be the driver of most solar explosive phenomena. Therefore, the topology of the coronal magnetic field is central to understanding the solar drivers of space weather. Of particular importance to space weather are the impulsive Solar Energetic particles that are associated with some CME/eruptive flare events. Observationally, the magnetic configuration of active regions where solar eruptions originate appears to agree with the standard eruptive flare model. According to this model, particles accelerated at the flare reconnection site should remain trapped in the corona and the ejected plasmoid. However, flare-accelerated particles frequently reach the Earth long before the CME does. We present a model that may account for the injection of energetic particles onto open magnetic flux tubes connecting to the Earth. Our model is based on the well-known 2.5D breakout topology, which has a coronal null point (null line) and a four-flux system. A key new addition, however, is that we include an isothermal solar wind with open-flux regions. Depending on the location of the open flux with respect to the null point, we find that the flare reconnection can consist of two distinct phases. At first, the flare reconnection involves only closed field, but if the eruption occurs close to the open field, we find a second phase involving interchange reconnection between open and closed. We argue that this second reconnection episode is responsible for the injection of flare-accelerated particles into the interplanetary medium. We will report on our recent work toward understanding how flare particles escape to the heliosphere. This work uses high-resolution 2.5D MHD numerical simulations performed with the Adaptively Refined MHD Solver (ARMS).

Antiochos, S. K.

The Gravity Field, Orientation, and Ephemeris of Mercury from MESSENGER Observations After Three Years in Orbit

We have analyzed three years of radio tracking data from the MESSENGER spacecraft in orbit around Mercury and determined the gravity field, planetary orientation, and ephemeris of the innermost planet. With improvements in spatial coverage, force modeling, and data weighting, we refined an earlier global gravity field both in quality and resolution, and we present here a spherical harmonic solution to degree and order 50. In this field, termed HgM005, uncertainties in low-degree coefficients are reduced by an order of magnitude relative to the earlier global field, and we obtained a preliminary value of the tidal Love number k(sub 2) of 0.451+/-0.014. We also estimated Mercury's pole position, and we obtained an obliquity value of 2.06 +/- 0.16 arcmin, in good agreement with analysis of Earth-based radar observations. From our updated rotation period (58.646146 +/- 0.000011 days) and Mercury ephemeris, we verified experimentally the planet's 3: 2 spin-orbit resonance to greater accuracy than previously possible. We present a detailed analysis of the HgM005 covariance matrix, and we describe some near-circular frozen orbits around Mercury that could be advantageous for future exploration.

MESSENGER

Wall-Modeled Large-Eddy Simulations of a Swept Wing with Leading-Edge Ice

The aerodynamic performance of a swept wing derived from the Common Research Model wing with high-fidelity and smooth leading-edge ice shapes is evaluated using wall-modeled large-eddy simulations. Two mesh paradigms are considered within the Launch, Ascent, and Vehicle Aerodynamics framework: structured hybrid curvilinear body-fitted/immersed-boundary and unstructured Voronoi. The curvilinear approach models the effect of the ice on the flow through penalty terms and the Voronoi strategy includes the ice representation directly in the mesh.Aerodynamic loads, surface pressure profiles, and skin-friction streamlines are compared against experimental results collected at the Wichita State University wind tunnel at a Mach number of 0.18 and a Reynolds number per mean aerodynamic chord of 1.6 million. For the curvilinear simulations with high-fidelity ice, results are sensitive to spanwise mesh resolution near the leading edge, where insufficient spanwise resolution leads to a spanwise running vortexaft of the high-fidelity ice, which is partially removed with increasing spanwise resolution. For the Voronoi simulations with high-fidelity ice, refining the mesh led to good convergence towards the experimental results with the best case demonstrating a maximum discrepancy of three lift counts relative to the experiment across a range of angles of attack from about 5 to 24 degrees, validating the shrink-wrapping procedure used for the ice. For the smooth ice, the curvilinear approach consistently under-predicted the upper surface suction leading to an under-prediction in lift, but did not demonstrate the pronounced over-prediction in upper surface suction near the leading edge observed in the Voronoi simulations.

AATT

Moderate resolution imaging spectrometer-nadir (MODIS-N) - Progress 1988

The paper describes progress made through 1987 in refining the required characteristics of the MODIS-N, which is one of two MODIS sensors being planned as a facility for the earth observing system. The MODIS-N will make it possible to observe new characteristics of the land and ocean surfaces and the troposphere at least once every three days over the entire globe for a decade following launch. Spatial resolutions of 1000 m or better are expected.

Salomonson, V. V.

Adaptive Patching for High-resolution Image Segmentation with Transformers

Attention-based models are proliferating in the space of image analytics, including segmentation. The standard method of feeding images to transformer encoders is to divide the images into patches and then feed the patches to the model as a linear sequence of tokens. For high-resolution images, e.g. microscopic pathology images, the quadratic compute and memory cost prohibits the use of an attention-based model, if we are to use smaller patch sizes that are favorable in segmentation. The solution is to either use custom complex multi-resolution models or approximate attention schemes. We take inspiration from Adapative Mesh Refinement (AMR) methods in HPC by adaptively patching the images, as a pre-processing step, based on the image details to reduce the number of patches being fed to the model, by orders of magnitude. This method has a negligible overhead, and works seamlessly with any attention-based model, i.e. it is a pre-processing step that can be adopted by any attention-based model without friction. We demonstrate superior segmentation quality over SoTA segmentation models for realworld pathology datasets while gaining a geomean speedup of 6.9× for resolutions up to 64K2, on up to 2, 048 GPUs.

Zhang, Enzhi

Redefining precision interferometry and spectroscopy with high-performance optical interference coatings

High-performance optical interference coatings have transformed precision interferometry and spectroscopy by enabling unparalleled control over light–matter interactions. This review explores recent innovations in ion-beam sputtered amorphous dielectric, as well as substrate-transferred crystalline coatings, and their impact on systems at the forefront of precision metrology. These state-of-the-art coating techniques generate multilayers with ultralow optical losses, yielding mirrors with exceptional reflectivity. Refinements in their noise performance push the ultimate limits of sensitivity, resolution, and stability in demanding laser-based metrology applications. These technologies underpin the most advanced timekeeping and spatial measurement tools, enabling high-finesse reference cavities for the world’s most precise optical atomic clocks and low-noise reflective test masses for km-baseline gravitational-wave detectors. Emerging hybrid designs combining these techniques expand access to the mid-infrared spectral region, enabling the first ultralow-optical-loss coatings in the 3000–5000 nm wavelength range for enhanced spectroscopy and trace-gas detection. We highlight how these technologies redefine coating performance metrics and set new benchmarks in quantum science, fundamental physics, and precision optical sensing.

Cole, Garrett D. [University of Arizona, Tucson, A

Accurate solutions for transonic viscous flow over finite wings

An explicit multistage Runge-Kutta type time-stepping scheme is used for solving the three-dimensional, compressible, thin-layer Navier-Stokes equations. A finite-volume formulation is employed to facilitate treatment of complex grid topologies encountered in three-dimensional calculations. Convergence to steady state is expedited through usage of acceleration techniques. Further numerical efficiency is achieved through vectorization of the computer code. The accuracy of the overall scheme is evaluated by comparing the computed solutions with the experimental data for a finite wing under different test conditions in the transonic regime. A grid refinement study ir conducted to estimate the grid requirements for adequate resolution of salient features of such flows.

Vatsa, V. N.

Feature Selection for Classification of Polar Regions Using a Fuzzy Expert System

Labeling, feature selection, and the choice of classifier are critical elements for classification of scenes and for image understanding. This study examines several methods for feature selection in polar regions, including the list, of a fuzzy logic-based expert system for further refinement of a set of selected features. Six Advanced Very High Resolution Radiometer (AVHRR) Local Area Coverage (LAC) arctic scenes are classified into nine classes: water, snow / ice, ice cloud, land, thin stratus, stratus over water, cumulus over water, textured snow over water, and snow-covered mountains. Sixty-seven spectral and textural features are computed and analyzed by the feature selection algorithms. The divergence, histogram analysis, and discriminant analysis approaches are intercompared for their effectiveness in feature selection. The fuzzy expert system method is used not only to determine the effectiveness of each approach in classifying polar scenes, but also to further reduce the features into a more optimal set. For each selection method,features are ranked from best to worst, and the best half of the features are selected. Then, rules using these selected features are defined. The results of running the fuzzy expert system with these rules show that the divergence method produces the best set features, not only does it produce the highest classification accuracy, but also it has the lowest computation requirements. A reduction of the set of features produced by the divergence method using the fuzzy expert system results in an overall classification accuracy of over 95 %. However, this increase of accuracy has a high computation cost.

Penaloza, Mauel A.

Sensitivity of Temperature Profiles Retrieved from Mars Global Surveyor Thermal Emission Spectrometer (MGS/TES) Observations to the GSFC Synthetic Mars Model Atmosphere

Part of the task of interpreting IR spectral features observed by MGS/TES due to surface minerals requires distinguishing those IR signatures from atmospheric signatures of gas and dust. Surface-atmosphere separation for MGS/TES depends on knowledge of the retrieved temperature profile. In turn, the temperature retrieval Erom the observed data depends on molecular parameters including 15 micron CO2 line shape or line intensities which contribute to defining the Mars synthetic radiative transfer model. Using a simple isothermal, homogeneous single layer model of Pinnock and Shine, we find the ratio of (the error in degrees Kelvin of the retrieved temperature profile) to (the percentage error in the absorption coefficient) (deg K/percent) to be 0.4 at 200K. This ratio at 150K and 250K is 0.2 and 0.6, respectively. A more refined model, incorporating observed MGS/TES retrieved temperature profiles, the TES instrumental resolution and the most recent molecular modelling, will yield an improved knowledge of this error sensitivity. We present results of such a sensitivity study to determine the dependence of temperature profiles inverted from MGS/TES on these and other molecular parameters. This work was supported in part by NASA's Mars Data Analysis Program.

Maguire, William C.

Monitoring Phenology as Indicator for Timing of Nutrient Inputs in Northern Gulf Watersheds

Nutrient over-enrichment defined by the U.S. Environmental Protection Agency as the anthropogenic addition of nutrients, in addition to any natural processes, causing adverse effects or impairments to the beneficial uses of a water body has been identified as one of the most significant environmental problems facing sensitive estuaries and coastal waters. Understanding the timing of nutrient inputs into those waters through remote sensing observables helps define monitoring and mitigation strategies. Remotely sensed data products can trace both forcings and effects of the nutrient system from landscape to estuary. This project is focused on extracting nutrient information from the landscape. The timing of nutrients entering coastal waters from the land boundary is greatly influenced by hydrologic processes, but can also be affected by the timing of nutrient additions across the landscape through natural or anthropogenic means. Non-point source nutrient additions to watersheds are often associated with specific seasonal cycles, such as decomposition of organic materials in fall and winter or addition of fertilizers to crop lands in the spring. These seasonal cycles or phenology may in turn be observed through the use of satellite sensors. Characterization of the phenology of various land cover types may be of particular interest in Gulf of Mexico estuarine systems with relatively short pathways between intensively managed systems and the land/estuarine boundary. The objective of this study is to demonstrate the capability of monitoring phenology of specific classes of land, such as agriculture and managed timberlands, at a refined watershed level. The extraction of phenological information from the Moderate Resolution Imaging Spectroradiometer (MODIS) data record is accomplished using analytical tools developed for NASA at Stennis Space Center: the Time Series Product Tool and the Phenological Parameters Estimation Tool. MODIS reflectance data (product MOD09) were used to compute the Normalized Difference Vegetation Index, which is sensitive to changes in vegetation canopies. The project team is working directly with the Mississippi Department of Environmental Quality to understand end-user requirements for this type of information product. Initial focus areas are identification of time frames for pre-plant fertilizer applications (prior to start of season), side-dress fertilizer applications (during rapid green-up), and periods of plant decomposition (during and after senescence). Prototypical maps of phenological stages related to these time frames have been generated for watersheds in the northern Gulf of Mexico. Where feasible, these maps have been compared to existing in situ nutrient monitoring data, but the in situ data is temporally sparse (monthly frequency or less), which makes interpretation challenging. Future work will include integrating effects of rainfall and seeking couplings with estuarine remote sensing.

Ross, Kenton W.