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At least 451 records · Page 25

SIERRA Multimechanics Module: Aria User Manual (V.5.6)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( $Re$ < 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.6)

Aria is a Galerkin nite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic ℎ-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

42 ENGINEERING↗

SIERRA Multimechanics Module: Aria User Manual - Version 5.8

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic ℎ-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual - Version 5.8

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process ows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic ℎ-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SIERRA Multimechanics Module: Aria User Manual (V.5.10)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ($Re$ < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.10)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ($Re$ < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

42 ENGINEERING↗

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.4.56)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ATONA TE-TIMS of minor uranium isotopes (FY25 Mid-Year Report)

Isotopic measurements of the minor isotopes of uranium ( 233 U, 234 U, 236 U) are indispensable measures for material accountability and processing history but can be particularly challenging to accurately measure due to the very low abundance of the minor isotopes relative to 238 U, or 235 U in the case of highly enriched uranium (HEU). The goal of this project is to quantify detection limits for minor uranium isotope species at environmental levels (e.g 236 U/ 238 U < 10 -7 ) utilizing an ATONA-outfitted instrument and the Total Evaporation Thermal Ionization Mass Spectrometry (TE-TIMS) method. In the first half of Fiscal Year 2025, we set out to identify a suitable experimental material (Task 1) and to optimize our TE-TIMS measurement routine (Task 2). We have successfully identified a material and are in the process of getting an aliquot shipped to LANL. Simultaneously, we began working on our measurement routine utilizing CRM 112A. The results of each task are discussed in detail below.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Refining image segmentation by polygon skeletonization

A skeletonization algorithm was encoded and applied to a test data set of land-use polygons taken from a USGS digital land use dataset at 1:250,000. The distance transform produced by this method was instrumental in the description of the shape, size, and level of generalization of the outlines of the polygons. A comparison of the topology of skeletons for forested wetlands and lakes indicated that some distinction based solely upon the shape properties of the areas is possible, and may be of use in an intelligent automated land cover classification system.

Clarke, Keith C.↗

Generation of topographic terrain models utilizing synthetic aperture radar and surface level data

Topographical terrain models are generated by digitally delineating the boundary of the region under investigation from the data obtained from an airborne synthetic aperture radar image and surface elevation data concurrently acquired either from an airborne instrument or at ground level. A set of coregistered boundary maps thus generated are then digitally combined in three dimensional space with the acquired surface elevation data by means of image processing software stored in a digital computer. The method is particularly applicable for generating terrain models of flooded regions covered entirely or in part by foliage.

Imhoff, Marc L.↗

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗

RIACS

Topics considered include: high-performance computing; cognitive and perceptual prostheses (computational aids designed to leverage human abilities); autonomous systems. Also included: development of a 3D unstructured grid code based on a finite volume formulation and applied to the Navier-stokes equations; Cartesian grid methods for complex geometry; multigrid methods for solving elliptic problems on unstructured grids; algebraic non-overlapping domain decomposition methods for compressible fluid flow problems on unstructured meshes; numerical methods for the compressible navier-stokes equations with application to aerodynamic flows; research in aerodynamic shape optimization; S-HARP: a parallel dynamic spectral partitioner; numerical schemes for the Hamilton-Jacobi and level set equations on triangulated domains; application of high-order shock capturing schemes to direct simulation of turbulence; multicast technology; network testbeds; supercomputer consolidation project.

Oliger, Joseph↗

Variable Noise Reduction Systems for a Notional Supersonic Business Jet

A variable noise reduction system consists of equipment on board an airplane that is designed to reduce noise in the vicinity of airports. They are anticipated to be used on supersonic civil aircraft currently under development by industry. They are investigated in this paper for a notional 55-tonne supersonic business jet. The airplane concept was developed by NASA for use in environmental impact studies conducted by the International Civil Aviation Organization. The variable noise reduction system investigated implements a programmed thrust lapse procedure and a programmed flap retraction procedure. The procedures are expected to reduce noise in aircraft certification as well as in operational practice. Behavior of the aircraft in a noise certification setting is considered. Variables of the procedures are optimized to reduce noise levels. Certification considerations unique to these systems are discussed for transport-category large airplanes and for jet-powered airplanes. A novel method for evaluating lateral noise is used.

Aircraft noise↗

Baseline Microbial Assessment of Fresh Produce

Currently no standards or requirements exist for microbial food safety for space grown produce (fresh plant foods). Without standards it is difficult to assess produce handling and sanitization options for the ISS and future exploration missions. We are conducting a literature review of microbial levels on fresh food and then carrying out measurements (microbial counts) of grocery store purchased and controlled environment-grown crops. Testing will include lettuce, mizuna, cherry tomato, pepper, and radish, all candidate crops for pick-and-eat testing on ISS and near term exploration missions. Growth chamber conditions will be set to mimic an ISS or spacecraft environment. Assays will include specific pathogens (Enterobacteriacea, Salmonella sp., and Aspergillus flavus) and total culturable microorganisms using aerobic plate counts, and total yeast and mold counts. Analyses will follow the FDA Bacteriological Analytical Manual methods. The goal of the project is to establish a baseline for expected microbial levels found on fresh plant foods that might be grown on ISS and near term missions, and develop risk assessment and microbial safety recommendations for these types of fresh foods.

Hummerick, M. E.↗

Band structures and Z 2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy elements, such as the transition-metal dichalcogenides (TMDs), relativistic effects must be taken into account in first-principles calculations. We present an all-electron method based on the four-component Dirac Hamiltonian and Gaussian-type orbitals (GTOs) that overcomes complications associated with linear dependencies and ill-conditioned matrices that arise when diffuse functions are included in the basis. Until now, there has been no systematic study of the convergence of GTO basis sets for periodic solids either at the nonrelativistic or the relativistic level. Here, in this study, we provide such a study of relativistic band structures of the 2D TMDs in the hexagonal (2H), tetragonal (1T), and distorted tetragonal (1T') structures, along with a discussion of their SOC-driven properties (Rashba splitting and Z 2 topological invariants). We demonstrate the viability of our approach even when large basis sets with multiple basis functions involving various valence orbitals (denoted triple- and quadruple-ζ) are used in the relativistic regime. Our method does not require the use of pseudopotentials and provides access to all electronic states within the same framework. Our study paves the way for direct studies of material properties, such as the parameters in spin Hamiltonians, that depend heavily on the electron density near atomic nuclei where relativistic and SOC effects are the strongest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Application of the MNA design method to a nonlinear turbofan engine

Using nonlinear digital simulation as a representative model of the dynamic operation of the QCSEE turbofan engine, a feedback control system is designed by variable frequency design techniques. Transfer functions are generated for each of five power level settings covering the range of operation from approach power to full throttle (62.5% to 100% full power). These transfer functions are then used by an interactive control system design synthesis program to provide a closed loop feedback control using the multivariable Nyquist array and extensions to multivariable Bode diagrams and Nichols charts.

Leininger, G. G.↗

A general framework for substructuring‐based domain decomposition methods for models having nonlocal interactions

Abstract A mathematical framework is provided for a substructuring‐based domain decomposition (DD) approach for nonlocal problems that features interactions between points separated by a finite distance. Here, by substructuring it is meant that a traditional geometric configuration for local partial differential equation (PDE) problems is used in which a computational domain is subdivided into non‐overlapping subdomains. In the nonlocal setting, this approach is substructuring‐based in the sense that those subdomains interact with neighboring domains over interface regions having finite volume, in contrast to the local PDE setting in which interfaces are lower dimensional manifolds separating abutting subdomains. Key results include the equivalence between the global, single‐domain nonlocal problem and its multi‐domain reformulation, both at the continuous and discrete levels. These results provide the rigorous foundation necessary for the development of efficient solution strategies for nonlocal DD methods.

Capodaglio, Giacomo↗