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DOE OSTI2025

Finite-temperature phase diagram of the Berenstein-Maldacena-Nastase matrix model on the lattice

We investigate the thermal phase structure of the Berenstein-Maldacena-Nastase matrix model using nonperturbative lattice Monte Carlo calculations. Our main analyses span 3 orders of magnitude in the coupling, involving systems with sizes up to 𝑁𝜏 =24 lattice sites and SU⁡(𝑁) gauge groups with 8 ≤𝑁 ≤16. In addition, we carry out extended checks of discretization artifacts for 𝑁𝜏 ≤128 and gauge group SU(4). We find results for the deconfinement temperature that interpolate between the perturbative prediction at weak coupling and the large-𝑁 dual supergravity calculation at strong coupling. While we confirm that the phase transition is first order for strong coupling, it appears to be continuous for weaker couplings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1985

A Unified Representation Scheme for Solid Geometric Objects Using B-splines (extended Abstract)

A geometric representation scheme called the B-spline cylinder, which consists of interpolation between pairs of uniform periodic cubic B-spline curves is discussed. This approach carries a number of interesting implications. For one, a single relatively simple database schema can be used to represent a reasonably large class of objects, since the spline representation is flexible enough to allow a large domain of representable objects at very little cost in data complexity. The model is thus very storage-efficient. A second feature of such a system is that it reduces to one the number of routines which the system must support to perform a given operation on objects. Third, the scheme enables easy conversion to and from other representations. The formal definition of the cylinder entity is given. In the geometric properties of the entity are explored and several operations on such objects are defined. Some general purpose criteria for evaluating any geometric representation scheme are introduced and the B-spline cylinder scheme according to these criteria is evaluated.

Bahler, D.↗

NASA NTRS2020

Snow Property Inversion from Remote Sensing (SPIReS): A Generalized Multispectral Unmixing Approach with Examples from MODIS and Landsat 8 OLI

Spectral mixture analysis has a history in mappingsnow, especially where mixed pixels prevail. Using multiplespectral bands rather than band ratios or band indices, retrievalsof snow properties that affect its albedo lead to more accu-rate estimates than widely used age-based models of albedoevolution. Nevertheless, there is substantial room for improve-ment. We present the Snow Property Inversion from RemoteSensing (SPIReS) approach, offering the following improve-ments: 1) Solutions for grain size and concentrations of lightabsorbing particles are computed simultaneously; 2) Only snowand snow-free endmembers are employed; 3) Cloud-maskingand smoothing are integrated; 4) Similar spectra are groupedtogether and interpolants are used to reduce computation time.The source codes are available in an open repository. Com-putation is fast enough that users can process imagery ondemand. Validation of retrievals from Landsat 8 operational landimager (OLI) and moderate-resolution imaging spectroradiome-ter (MODIS) against WorldView-2/3 and the Airborne SnowObservatory shows accurate detection of snow and estimatesof fractional snow cover. Validation of albedo shows low errorsusing terrain-correctedin situmeasurements. We conclude bydiscussing the applicability of this approach to any airborne orspaceborne multispectral sensor and options to further improve retrievals.

Edward H Blair↗

DOE OSTI2025

Mesh-based super-resolution of fluid flows with multiscale graph neural networks

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. Furthermore, the architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor–Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.

Backward-facing step↗

DOE OSTI2024

CICE on a C-grid: new momentum, stress, and transport schemes for CICEv6.5

Abstract. This article presents the C-grid implementation of the CICE sea ice model, including the C-grid discretization of the momentum equation, the boundary conditions (BCs), and the modifications to the code required to use the incremental remapping transport scheme. To validate the new C-grid implementation, many numerical experiments were conducted and compared to the B-grid solutions. In idealized experiments, the standard advection method (incremental remapping with C-grid velocities interpolated to the cell corners) leads to a checkerboard pattern. A modal analysis demonstrates that this computational noise originates from the spatial averaging of C-grid velocities at corners. The checkerboard pattern can be eliminated by adjusting the departure regions to match the divergence obtained from the solution of the momentum equation. We refer to this novel approach as the edge flux adjustment (EFA) method. The C-grid discretization with edge flux adjustment allows for transport in channels that are one grid cell wide – a capability that is not possible with the B-grid discretization nor with the C-grid and standard remapping advection. Simulation results match the predicted values of a novel analytical solution for one-grid-cell-wide channels.

Lemieux, Jean-François (ORCID:0000000320845759)↗

NASA NTRS2015

Evaluating Surface Flux Results from CERES-FLASHFlux

The Fast Longwave and Shortwave Radiative Flux (FLASHFlux) data product was developed to provide a rapid release version of the Clouds and Earth's Radiant Energy System (CERES) results, which could be made available to the research and applications communities within one week of the satellite observations by exchanging some accuracy for speed of processing. Unlike standard CERES products, FLASHFlux does not maintain a long-term consistent record. Therefore the latest algorithm changes and input data can be incorporated into processing. FLASHFlux released Version3A (January 2013) and Version 3B (August 2014) which include the latest meteorological product from Global Modeling and Assimilation Office (GMAO), GEOS FP-IT (5.9.1), the latest spectral response functions and gains for the CERES instruments, and aerosol climatology based on the latest MATCH data. Version 3B included a slightly updated calibration and some changes to the surface albedo over snow/ice. Typically FLASHFlux does not reprocess earlier versions when a new version is released. The combined record of Time Interpolated Space Averaged (TISA) surface flux results from Versions3A and 3B for July 2012 to October 2015 have been compared to the ground-based measurements. The FLASHFlux results are also compared to two other CERES gridded products, SYN1deg and EBAF surface fluxes.

Wilber, Anne C.↗

NASA NTRS2017

An Integrated Approach to Swept Wing Icing Simulation

This paper describes the various elements of a simulation approach used to develop a database of ice shape geometries and the resulting aerodynamic performance data for a representative commercial transport wing model exposed to a variety of icing conditions. This effort included testing in the NASA Icing Research Tunnel, the Wichita State University Walter H. Beech Wind Tunnel, and the ONERA F1 Subsonic Wind Tunnel as well as the use of ice accretion codes, an inviscid design code, and computational fluid dynamics codes. Additionally, methods for capturing full three-dimensional ice shape geometries, geometry interpolation along the span of the wing, and creation of artificial ice shapes based upon that geometric data were developed for this effort. The icing conditions used for this effort were representative of actual ice shape encounter scenarios and run the gamut from ice roughness to full three-dimensional scalloped ice shapes. The effort is still underway so this paper is a status report of work accomplished to date and a description of the remaining elements of the effort.

ice accretion↗

NASA NTRS2000

Estimating Long Term Surface Soil Moisture in the GCIP Area From Satellite Microwave Observations

Soil moisture is an important component of the water and energy balances of the Earth's surface. Furthermore, it has been identified as a parameter of significant potential for improving the accuracy of large-scale land surface-atmosphere interaction models. However, accurate estimates of surface soil moisture are often difficult to make, especially at large spatial scales. Soil moisture is a highly variable land surface parameter, and while point measurements are usually accurate, they are representative only of the immediate site which was sampled. Simple averaging of point values to obtain spatial means often leads to substantial errors. Since remotely sensed observations are already a spatially averaged or areally integrated value, they are ideally suited for measuring land surface parameters, and as such, are a logical input to regional or larger scale land process models. A nine-year database of surface soil moisture is being developed for the Central United States from satellite microwave observations. This region forms much of the GCIP study area, and contains most of the Mississippi, Rio Grande, and Red River drainages. Daytime and nighttime microwave brightness temperatures were observed at a frequency of 6.6 GHz, by the Scanning Multichannel Microwave Radiometer (SMMR), onboard the Nimbus 7 satellite. The life of the SMMR instrument spanned from Nov. 1978 to Aug. 1987. At 6.6 GHz, the instrument provided a spatial resolution of approximately 150 km, and an orbital frequency over any pixel-sized area of about 2 daytime and 2 nighttime passes per week. Ground measurements of surface soil moisture from various locations throughout the study area are used to calibrate the microwave observations. Because ground measurements are usually only single point values, and since the time of satellite coverage does not always coincide with the ground measurements, the soil moisture data were used to calibrate a regional water balance for the top 1, 5, and 10 cm surface layers in order to interpolate daily surface moisture values. Such a climate-based approach is often more appropriate for estimating large-area spatially averaged soil moisture because meteorological data are generally more spatially representative than isolated point measurements of soil moisture. Vegetation radiative transfer characteristics, such as the canopy transmissivity, were estimated from vegetation indices such as the Normalized Difference Vegetation Index (NDVI) and the 37 GHz Microwave Polarization Difference Index (MPDI). Passive microwave remote sensing presents the greatest potential for providing regular spatially representative estimates of surface soil moisture at global scales. Real time estimates should improve weather and climate modelling efforts, while the development of historical data sets will provide necessary information for simulation and validation of long-term climate and global change studies.

Owe, Manfred↗

DOE OSTI2023

Quantum Neural Networks: Issues, Training, and Applications

Our work in the field aims at explaining the limitations and expressive power of Quantum Machine Learning models, as well as finding feasible training algorithms that could be implemented in near-term Quantum Computers. The promise of Quantum Machine Learning is that by incorporating quantum effects, such as entanglement, into machine learning models researchers can improve model performance and understand more complex datasets. This pledge is particularly pronounced in the design of Quantum neural networks (QNNs), a promising framework for creating quantum algorithms, that promise to outperform classical models by combining the speedups of quantum computation with the widespread successes of deep learning. We show that applying this approach alone to quantum deep learning is problematic given that an excess of entanglement between the hidden and visible layers can destroy the predictive power of our QNN models. We address the barren plateau problem by suggesting the use of a generative, unbounded, nonlinear loss function with simple gradients. The loss function quantifies how much the quantum states generated by the QNNs differ from the data and the goal during training is to minimize it. Finally, we showcase how to use generative training to construct a "classical-quantum" neural network to accurately interpolate between the ground states of a Molecular Hamiltonian, a central question in Quantum Chemistry.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1979

Application of the method of integral relations to unsteady fluid flow problems with shocks

A mixed method using both the method of integral relations and the finite difference technique is developed for the solution of unsteady flow problems. The integral relations method is based upon a chosen interpolating function dependent only on the time domain. The resulting local semidiscrete finite element equations obtained are assembled into a global form. The spatial derivatives at the nodes are replaced by finite difference operators and the discretized nonlinear algebraic system is solved by an iterative scheme. Solutions are obtained for the one-dimensional gasdynamics equation, the one-dimensional wave equation and Burger's model of turbulence. Agreement with other numerical and analytical solutions is excellent for the gasdynamics problem and satisfactory for the Burger equation in cases of small viscous effects.

Wadia, A. R.↗

NASA NTRS2003

Long-Term Climatic Variations in the Almati Oblast in Central Asian Kazakhstan: Correlations between National Centers for Environmental Prediction (NCEP) Reanalysis II Results and Oblast Meteorological Station Data from 1949 to the Present

As part of a larger analysis of country systems described elsewhere, named a Crop Country Inventory, CCI, large variations in annual crop yield for selected climate sensitive agricultural regions or sub-regions within a country have been studied over extended periods in decades. These climate sensitive regions, principally responsible for large annual variations in an entire country s crop production, generally are characterized by distinctive patterns of atmospheric circulation and synoptic processes that result in large seasonal fluctuations in temperature, precipitation and soil moisture as well as other climate properties. The immediate region of interest is drought prone Kazakhstan in Central Asia, part of the Former Soviet Union, FSU. As a partial validation test in a dry southern region of Kazakhstan, the Almati Oblast was chosen. The Almati Oblast, a sub-region of Kazakhstan located in its southeast corner, is one of 14 oblasts within the Republic of Kazahstan. The climate data set used to characterize this region was taken from the results of the current maturely developed Global Climate Model, GCM. In this paper, the GCM results have been compared to the meteorological station data at the station locations, over various periods. If the empirical correlation of the data sets from both the GCM and station data is sufficiently significant, this would validate the use of the superior GCM profile mapping and integration for the climatic characterization of a sub-region. Precipitation values interpolated from NCEP Reanalysis II data, a global climate database spanning over 5 decades since 1949, have been statistically correlated with monthly-averaged station data from 1949 through 1993, and with daily station data from April through August, 1990 for the Almati Oblast in Kazakhstan. The resultant correlation is significant, which implies that the methodology may be extended to different regions globally for Crop Country Inventory studies.

Welker, Jean E.↗

NASA NTRS2010

Reconciling Scientific Aspirations and Engineering Constraints for a Lunar Mission via Hyperdimensional Interpolation

Virtually every NASA space-exploration mission represents a compromise between the interests of two expert, dedicated, but very different communities: scientists, who want to go quickly to the places that interest them most and spend as much time there as possible conducting sophisticated experiments, and the engineers and designers charged with maximizing the probability that a given mission will be successful and cost-effective. Recent work at NASA's Jet Propulsion Laboratory (JPL) seeks to enhance communication between these two groups, and to help them reconcile their interests, by developing advanced modeling capabilities with which they can analyze the achievement of science goals and objectives against engineering design and operational constraints. The analyses conducted prior to this study have been point-design driven. Each analysis has been of one hypothetical case which addresses the question: Given a set of constraints, how much science can be done? But the constraints imposed by the architecture team-e.g., rover speed, time allowed for extravehicular activity (EVA), number of sites at which science experiments are to be conducted- are all in early development and carry a great deal of uncertainty. Variations can be incorporated into the analysis, and indeed that has been done in sensitivity studies designed to see which constraint variations have the greatest impact on results. But if a very large number of variations can be analyzed all at once, producing a table that includes virtually the entire trade space under consideration, then we have a tool that enables scientists and mission architects to ask the inverse question: For a given desired level of science (or any other objective), what is the range of constraints that would be needed? With this tool, mission architects could determine, for example, what combinations of rover speed, EVA duration, and other constraints produce the desired results. Further, this tool would help them identify which technology-improvement investments would be likely to produce the largest or most important return. However, the number of variations that need to be considered for such analysis quickly balloons to an unwieldy size. If three variations are considered for each of six constraints-a very modest example-there are a total of 243 variations to consider. If it takes 40 minutes to compute each variation, as it does with HURON, our automated optimization system, then it would take 162 hours or nearly 7 days of round-the-clock computing to calculate the results. Adding further constraints or variations exponentially increases the amount of time that is needed.

Weisbin, Charles R.↗

DOE OSTI2025

New capabilities for rapid depletion analysis of pebble-bed reactors in SCALE

The SCALE Leap-In for Cores at Equilibrium (SLICE) method leverages capabilities available in the SCALE modeling and simulation suite to facilitate rapid estimation of equilibrium core inventories for flowing-pebble reactor systems in support of a variety of fuel cycle applications. New capabilities that compliment the SLICE method have been developed for the ORIGAMI interface to ORIGEN in SCALE to facilitate rapid depletion calculations for flowing-pebble systems. New features include a more generalized and flexible means of specifying interpolation dimensions, the ability to evaluate pebbles moving through user-defined “axial zones” in each of the pebble’s multiple passes through the core, and the treatment of differential velocities across radial channels (representing both pebble-to-pebble and wall-to-pebble friction effects). ORIGAMI thus provides an efficient user interface to define a pebble’s path and irradiation histories of its multiple passes through the core to calculate the pebble’s time-dependent inventories, which can be useful in various applications domains such as safeguards, criticality safety, and disposal analyses. The consistency of new ORIGAMI approach was verified against the solution obtained using the SLICE method with ORIGEN-ARP, showing excellent agreement.

Skutnik, Steven E. [Oak Ridge National Laboratory ↗

NASA NTRS1994

Direct numerical simulation of incompressible axisymmetric flows

In the present work, we propose to conduct direct numerical simulations (DNS) of incompressible turbulent axisymmetric jets and wakes. The objectives of the study are to understand the fundamental behavior of axisymmetric jets and wakes, which are perhaps the most technologically relevant free shear flows (e.g. combuster injectors, propulsion jet). Among the data to be generated are various statistical quantities of importance in turbulence modeling, like the mean velocity, turbulent stresses, and all the terms in the Reynolds-stress balance equations. In addition, we will be interested in the evolution of large-scale structures that are common in free shear flow. The axisymmetric jet or wake is also a good problem in which to try the newly developed b-spline numerical method. Using b-splines as interpolating functions in the non-periodic direction offers many advantages. B-splines have local support, which leads to sparse matrices that can be efficiently stored and solved. Also, they offer spectral-like accuracy that are C(exp O-1) continuous, where O is the order of the spline used; this means that derivatives of the velocity such as the vorticity are smoothly and accurately represented. For purposes of validation against existing results, the present code will also be able to simulate internal flows (ones that require a no-slip boundary condition). Implementation of no-slip boundary condition is trivial in the context of the b-splines.

Loulou, Patrick↗

NASA NTRS1996

Overset Grid Methods for Multidisciplinary Applications in Rotorcraft Problems

A methodology for the coupling of an advanced computational fluid dynamics method based on an overset grid flow-solver and an advanced computational structural dynamics method based on a finite element analysis is presented. Various procedures for the fluid-structure interactions modeling along with their limitations are also discussed. The flight test data for the four-bladed UH-60A Blackhawk helicopter rotor is chosen for the validation of the results. Convergence and accuracy are tested by numerical experiments with a single-bladed rotor. A comparison of airload predictions with flight test data as well as with a rigid blade case is presented. Grid and interpolation related issues for this aeroelastic application are described.

Ahmad, J. U.↗

NASA NTRSDate not supplied

Parahydrogen Properties Version 05 Database Release for Nuclear Thermal Propulsion Applications

Consistent modeling assumptions across any large project are crucial to minimize errors between different approaches. Use of consistent material and fluid properties across a large project supports consistent interpretation and application within modeling and simulation results as well as their relevancy to operational systems. NASA’s Space Nuclear Propulsion program dedicates extensive resources towards establishing consistent and, to the extent possible, accurate property databases for its internal staff and all external partners. This work highlights the extensive research performed to modernize the fluid property database of hydrogen which is the leading propellant option for in-space nuclear propelled spacecraft. Specifically, the parahydrogen spin state is of interest since the propellant is stored in a near normal boiling point liquid state which results in it consisting almost entirely of the parahydrogen spin isomer. This database tool has taken recent NASA work and modernized it into a python-based package for easy usage across all modeling entities. The package allows users to provide temperature and pressure pairs along with their desired output properties to yield results accounting for both real-gas and equilibrium dissociation effects while also sharing the default thermodynamic reference state provided by the National Institute of Standards and Technology (NIST) Standard Database 23. The suite also includes advanced capabilities to increase usability, such as on-the-fly interpolation and multidimensional plotting.

Nuclear Thermal Propulsion↗

NASA NTRSDate not supplied

Parahydrogen Properties Version 05 Database Release for NTP Applications

Nuclear Thermal Propulsion↗

DOE OSTI2025

Data-driven reduced-order models for port-Hamiltonian systems with operator inference

Hamiltonian operator inference has been developed in Sharma et al. (2022) to learn structure-preserving reduced-order models (ROMs) for Hamiltonian systems. The method constructs a low-dimensional model using only data and knowledge of the functional form of the Hamiltonian. The resulting ROMs preserve the intrinsic structure of the system, ensuring that the mechanical and physical properties of the system are maintained. In this work, we extend this approach to port-Hamiltonian systems, which generalize Hamiltonian systems by including energy dissipation, external input, and output. Based on snapshots of the system’s state and output, together with the information about the functional form of the Hamiltonian, reduced operators are inferred through optimization and are then used to construct data-driven ROMs. To further alleviate the complexity of evaluating nonlinear terms in the ROMs, a hyper-reduction method via discrete empirical interpolation is applied. Accordingly, we derive error estimates for the ROM approximations of the state and output. Lastly, we demonstrate the structure preservation, as well as the accuracy of the proposed port-Hamiltonian operator inference framework, through numerical experiments on a linear mass–spring-damper problem and a nonlinear Toda lattice problem.

97 MATHEMATICS AND COMPUTING↗