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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Emerging CFD technologies and aerospace vehicle design

With the recent focus on the needs of design and applications CFD, research groups have begun to address the traditional bottlenecks of grid generation and surface modeling. Now, a host of emerging technologies promise to shortcut or dramatically simplify the simulation process. This paper discusses the current status of these emerging technologies. It will argue that some tools are already available which can have positive impact on portions of the design cycle. However, in most cases, these tools need to be integrated into specific engineering systems and process cycles to be used effectively. The rapidly maturing status of unstructured and Cartesian approaches for inviscid simulations makes suggests the possibility of highly automated Euler-boundary layer simulations with application to loads estimation and even preliminary design. Similarly, technology is available to link block structured mesh generation algorithms with topology libraries to avoid tedious re-meshing of topologically similar configurations. Work in algorithmic based auto-blocking suggests that domain decomposition and point placement operations in multi-block mesh generation may be properly posed as problems in Computational Geometry, and following this approach may lead to robust algorithmic processes for automatic mesh generation.

Aftosmis, Michael J.↗

Dynamic Load-Balancing for Distributed Heterogeneous Computing of Parallel CFD Problems

The developed methodology is aimed at improving the efficiency of executing block-structured algorithms on parallel, distributed, heterogeneous computers. The basic approach of these algorithms is to divide the flow domain into many sub- domains called blocks, and solve the governing equations over these blocks. Dynamic load balancing problem is defined as the efficient distribution of the blocks among the available processors over a period of several hours of computations. In environments with computers of different architecture, operating systems, CPU speed, memory size, load, and network speed, balancing the loads and managing the communication between processors becomes crucial. Load balancing software tools for mutually dependent parallel processes have been created to efficiently utilize an advanced computation environment and algorithms. These tools are dynamic in nature because of the chances in the computer environment during execution time. More recently, these tools were extended to a second operating system: NT. In this paper, the problems associated with this application will be discussed. Also, the developed algorithms were combined with the load sharing capability of LSF to efficiently utilize workstation clusters for parallel computing. Finally, results will be presented on running a NASA based code ADPAC to demonstrate the developed tools for dynamic load balancing.

Ecer, A.↗

Machine Learning-enabled Scalable Performance Prediction of Scientific Codes

Hardware architectures become increasingly complex as the compute capabilities grow to exascale. Here, we present the Analytical Memory Model with Pipelines (AMMP) of the Performance Prediction Toolkit (PPT). PPT-AMMP takes high-level source code and hardware architecture parameters as input and predicts runtime of that code on the target hardware platform, which is defined in the input parameters. PPT-AMMP transforms the code to an (architecture-independent) intermediate representation, then (i) analyzes the basic block structure of the code, (ii) processes architecture-independent virtual memory access patterns that it uses to build memory reuse distance distribution models for each basic block, and (iii) runs detailed basic-block level simulations to determine hardware pipeline usage. PPT-AMMP uses machine learning and regression techniques to build the prediction models based on small instances of the input code, then integrates into a higher-order discrete-event simulation model of PPT running on Simian PDES engine. We validate PPT-AMMP on four standard computational physics benchmarks and present a use case of hardware parameter sensitivity analysis to identify bottleneck hardware resources on different code inputs. We further extend PPT-AMMP to predict the performance of a scientific application code, namely, the radiation transport mini-app SNAP. To this end, we analyze multi-variate regression models that accurately predict the reuse profiles and the basic block counts. We validate predicted SNAP runtimes against actual measured times.

97 MATHEMATICS AND COMPUTING↗

Simulating Atmospheric Boundary Layer Turbulence with Nek5000/RS

We present large-eddy-simulation (LES) modeling approaches for the simulation of atmospheric boundary layer turbulence that are of direct relevance to wind energy production. In this report, we study a GABLS benchmark problem using high-order spectral element code Nek5000/RS, which is supported under the DOE’s Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms [1, 2]. We demonstrate our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. The model fidelity and scaling performance of Nek5000/RS on DOE’s leadership computing platforms in comparison to those of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, are discussed in [3].

17 WIND ENERGY↗

Development of a flexible and efficient multigrid-based multiblock flow solver

A multigrid-based numerical scheme for solving the Navier-Stokes and Euler equations on block-structured grids is presented for flows over complex aircraft configurations. Self-consistency checks are conducted to ascertain that the multiblock code reproduces previously known solutions from single-block codes by splitting a single-block grid into multiple blocks. The newly-developed multiblock code maintains multigrid performance of an equivalent single-block code.

Vatsa, Veer N.↗

Plane Smoothers for Multiblock Grids: Computational Aspects

Standard multigrid methods are not well suited for problems with anisotropic discrete operators, which can occur, for example, on grids that are stretched in order to resolve a boundary layer. One of the most efficient approaches to yield robust methods is the combination of standard coarsening with alternating-direction plane relaxation in the three dimensions. However, this approach may be difficult to implement in codes with multiblock structured grids because there may be no natural definition of global lines or planes. This inherent obstacle limits the range of an implicit smoother to only the portion of the computational domain in the current block. This report studies in detail, both numerically and analytically, the behavior of blockwise plane smoothers in order to provide guidance to engineers who use block-structured grids. The results obtained so far show alternating-direction plane smoothers to be very robust, even on multiblock grids. In common computational fluid dynamics multiblock simulations, where the number of subdomains crossed by the line of a strong anisotropy is low (up to four), textbook multigrid convergence rates can be obtained with a small overlap of cells between neighboring blocks.

Llorente, Ignacio M.↗

Evaluations of Additively Manufactured Superalloy Lattice Blocks

Cast lattice block structures made up of high-temperature superalloys were previously shown to offer advantages in density, efficiency, and tailored properties. However, inconsistencies in casting die-fill, composition, and microstructure were identified as persistent issues with the casting process path. Three candidate lattice designs were screened through additive manufacturing of a superalloy. Laser powder bed fusion was applied with superalloy powder to produce lattice blocks for three-dimensional octahedral unit-cell designs of three heights. Properties of the structural designs versus additively manufactured lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermophysical and mechanical properties.

superalloy↗

Parallel computing strategies for block multigrid implicit solution of the Euler equations

A multigrid diagonal implicit algorithm has been developed to solve the three-dimensional Euler equations of inviscid compressible flow on block-structured grids. An improved method of advancing the multigrid cycle has been examined with respect to convergence rates, accuracy, and efficiency. In this method, the multigrid cycle is advanced independently in each of the blocks, and the information exchange between the blocks is done using buffer arrays, allowing for the asynchronous updating of interface boundary conditions. This updating scheme is used to eliminate the convergence problems found in a previous implementation of the algorithm while retaining its potential for efficient parallel execution. Results are computed for transonic flows past wings and include pressure distributions to verify the accuracy of the scheme and convergence histories to demonstrate the efficiency of the method. Efficiencies that were obtained using a modest number of processors in parallel are also presented and discussed.

Yadlin, Yoram↗

High-resolution seismic reflection survey at the Manson crater, Iowa

Approximately 17.4 km of high-resolution reflection data were acquired along an east-west radius of the Manson Impact Structure (MIS) to delineate the shallow (upper 300 m) subsurface structural configuration. The geometry of the shallow structure is poorly known due to a 30-90 m thick Pleistocene till cover. The resolution of the new seismic data is roughly 5-10 times that of existing Vibroseis data. Data quality varies rapidly along the line from exceptional to poor, due primarily to velocity variations associated with the geological complexity of the area. Preliminary results indicate subsurface structural blocks previously envisioned to be several hundreds of meters in size are actually an order of magnitude smaller and more complex. A seismogram-by-seismogram analysis is necessary to confidently identify intricate stratigraphic and structural relationships seen on preliminary CDP sections, as numerous faults, diffractions, and complicated reflection patterns create potential pitfalls.

Keiswetter, D. A.↗

Parallel Adjective High-Order CFD Simulations Characterizing SOFIA Cavity Acoustics

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A temporally fourth-order accurate Runge-Kutta, and spatially fth-order accurate WENO- 5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

CFD↗

Parallel Adaptive High-Order CFD Simulations Characterizing Cavity Acoustics for the Complete SOFIA Aircraft

This paper presents one-of-a-kind MPI-parallel computational fluid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft of a Boeing 747SP. These simulations focus on how the unsteady flow field inside and over the cavity interferes with the optical path and mounting of the telescope. A temporally fourth-order Runge-Kutta, and spatially fifth-order WENO-5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh refinement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32,000 cores and 4 billion cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregularities caused by the highly complex geometry. Limits to scaling beyond 32K cores are identified, and targeted code optimizations are discussed.

Acoustics↗

Parallel Adaptive High-Order CFD Simulations Characterizing SOFIA Cavitiy Acoustics

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A tempo- rally fourth-order accurate Runge-Kutta, and a spatially fth-order accurate WENO-5Z scheme were used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

Parallell↗

Finite Macro-Element Mesh Deformation in a Structured Multi-Block Navier-Stokes Code

A mesh deformation scheme is developed for a structured multi-block Navier-Stokes code consisting of two steps. The first step is a finite element solution of either user defined or automatically generated macro-elements. Macro-elements are hexagonal finite elements created from a subset of points from the full mesh. When assembled, the finite element system spans the complete flow domain. Macro-element moduli vary according to the distance to the nearest surface, resulting in extremely stiff elements near a moving surface and very pliable elements away from boundaries. Solution of the finite element system for the imposed boundary deflections generally produces smoothly varying nodal deflections. The manner in which distance to the nearest surface has been found to critically influence the quality of the element deformation. The second step is a transfinite interpolation which distributes the macro-element nodal deflections to the remaining fluid mesh points. The scheme is demonstrated for several two-dimensional applications.

Bartels, Robert E.↗

A conserved viral RNA fold enables nuclease resistance across kingdoms of life

Abstract Viral exoribonuclease-resistant RNA (xrRNA) structures block cellular nucleases to produce subgenomic viral RNAs during infection. High sequence variability among xrRNAs from distantly related viruses raises questions about the shared molecular features that enable these RNAs to withstand the strong unwinding forces of exoribonucleases. Here, we present the first structure of a plant-virus xrRNA in its active conformation and uncover universal principles of xrRNA folding. Comparison with the structure of a human-pathogenic flavivirus xrRNA reveals that both share a core structural motif—a protective ring encircling the RNA’s 5′ end—despite lacking sequence similarity. Disrupting this core motif through targeted mutagenesis eliminates exoribonuclease-resistance and attenuates viral infection. We identify hundreds of related structures across multiple virus families, supporting the conservation of this mechanism. Our study demonstrates how distantly related RNA viruses have converged on a common structural strategy to inhibit cellular nucleases, with a universal ring topology as the defining feature of viral xrRNAs.

Biochemistry & Molecular Biology↗

Renewable low viscosity polyester-polyols for biodegradable thermoplastic polyurethanes

In the transition to renewably sourced, biodegradable polymers, the preparation of low viscosity polyester-polyols has posed a challenge for renewable polyurethane (PU) development. Low viscosity polyols not only reduce the requirement for high process temperatures but also decrease manufacturing time. In our efforts to incorporate increasing ratios of bio-based monomers into renewable PUs, we mixed diacids such as even carbon sebacic acid and odd carbon azelaic acid along with a renewable diol. This provided library of 2000 g/mol molecular weight polyester-polyols, and structures were established by 1 H and 13 C NMR analysis. The prepared polyester-polyols offered lower viscosity and enable lower fabrication temperatures to make TPUs, and their structure and material metrics were evaluated. The formation of TPUs is ascertained from FTIR and NMR analysis. The final TPUs displayed good physical and mechanical properties. Further, these TPUs exhibited T g in the range of -56.5 to -39.7°C, corresponding to TPU soft block structure, and T m between 98.3 and 105.1°C originating from the hard segment. Prepared TPUs exhibit excellent biodegradation under compost environmental conditions. These TPUs showed up to 57% decrease in molecular weight by GPC analysis after 9 weeks of biodegradation, and respirometer analysis displayed up to 97% biodegradation over 120 days.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metallicity, Atomic Disorder, and Li-Ion Storage in Fast-Charging Anodes

Oxides of Nb with Wadsley-Roth shear structures comprise a family of stable, high-rate anode materials for Li-ion batteries. A particular pair of them offers the unusual opportunity to test how important metallic conduction of the starting electrode is for electrode performance. The selected pair of compounds with similar 4 × 3 Wadsley-Roth block structures are insulating Ti 2 Nb 10 O 29 and metallic Nb 12 O 29 . A combination of diffraction, electrochemistry, magnetic measurements, and entropic potential measurements is employed to establish key findings for these two anode materials. We find that starting with a metallic oxide is not especially advantageous over a comparable material that readily transitions into a metallic state upon lithiation. Second, the rate performance appears to be dictated by ion mobility, and atomic Ti/Nb disorder in Ti 2 Nb 10 O 29 contributes to improved capacity retention at high rates by suppressing Li-ion ordering. However, subtle details in the nature of redox processes make Nb 12 O 29 a slightly better electrode material for long-term cycling at slower rates.

crystal structure↗

Photonic Integrated Circuit (PIC) Device Structures: Background, Fabrication Ecosystem, Relevance to Space Systems Applications, and Discussion of Related Radiation Effects

Electronic integrated circuits are considered one of the most significant technological advances of the 20th century, with demonstrated impact in their ability to incorporate successively higher numbers transistors and construct electronic devices onto a single CMOS chip. Photonic integrated circuits (PICs) exist as the optical analog to integrated circuits; however, in place of transistors, PICs consist of numerous scaled optical components, including such "building-block" structures as waveguides, MMIs, lasers, and optical ring resonators. The ability to construct electronic and photonic components on a single microsystems platform offers transformative potential for the development of technologies in fields including communications, biomedical device development, autonomous navigation, and chemical and atmospheric sensing. Developing on-chip systems that provide new avenues for integration and replacement of bulk optical and electro-optic components also reduces size, weight, power and cost (SWaP-C) limitations, which are important in the selection of instrumentation for specific flight projects. The number of applications currently emerging for complex photonics systems-particularly in data communications-warrants additional investigations when considering reliability for space systems development. This Body of Knowledge document seeks to provide an overview of existing integrated photonics architectures; the current state of design, development, and fabrication ecosystems in the United States and Europe; and potential space applications, with emphasis given to associated radiation effects and reliability.

Body of Knowledge (BOK)↗