Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles
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Mathiesen, Jette K.↗
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Results for “library design”
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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Method for Rapid Modeling of Distortion in Laser Powder Bed Fusion Metal Additive Manufacturing Parts
The simulation and modeling of part-level distortion and residual stress in diverse metal additive manufacturing (AM) geometries has great potential to enable the rapid adoption of this technology in engineering design. Moreover, the use of additive manufacturing component libraries (CLs) offer a computationally efficient means of quantifying these part-level defects resultant from AM processing. We report on how the individual simulations of simple shapes, potential entries in a CL, can be superimposed to provide an indication of distortion and residual stresses in complex geometries. Laser powder bed fusion AM was used to construct test geometries of varied shapes and their combinations in the form of CLs in an effort to characterize location-dependent and feature-dependent distortion distributions. Blue light scanning was used to experimentally measure 3D distortions in order to investigate the interaction between the component shapes and local boundary conditions. Overall, part-level distortions were highly dependent on test component geometry, local boundary conditions, and shape combination. Commercial finite element software was used to verify experimental trends and to make predictions of distortion. The use of CLs resulted in over 20 times savings in computational cost while reproducing overall trends in distortion for test geometry assemblies. Therefore, it is anticipated that the use of CLs for L-PBF AM geometries has demonstrated potential to facilitate efficient simulations of full component AM assemblies, thereby reducing the need for costly trial-and-error-type experimental analysis.
36 MATERIALS SCIENCE↗
Engineering regulatory networks for complex phenotypes in E. coli
Regulatory networks describe the hierarchical relationship between transcription factors, associated proteins, and their target genes. Regulatory networks respond to environmental and genetic perturbations by reprogramming cellular metabolism. Here we design, construct, and map a comprehensive regulatory network library containing 110,120 specific mutations in 82 regulators expected to perturb metabolism. We screen the library for different targeted phenotypes, and identify mutants that confer strong resistance to various inhibitors, and/or enhanced production of target compounds. These improvements are identified in a single round of selection, showing that the regulatory network library is universally applicable and is convenient and effective for engineering targeted phenotypes. The facile construction and mapping of the regulatory network library provides a path for developing a more detailed understanding of global regulation in E. coli , with potential for adaptation and use in less-understood organisms, expanding toolkits for future strain engineering, synthetic biology, and broader efforts.
59 BASIC BIOLOGICAL SCIENCES↗
B.MPI3
B.MPI3 is a C++ library wrapper for standard MPI-3. B.MPI3 is designed following the principles of Boost and the STL. B.MPI3 is unrelated to the official, now deprecated, MPI-C++ interface. It provides an iterator-based interface and MPI-3 features (RMA and Shared memory). B.MPI3 is written from scratch in C++14.
Correa Tedesco, AlfredoA.↗
Performance Results on CPU/GPU Exascale Architectures for OMEGA: The Ocean Model for E3SM Global Applications
The US Department of Energy (DOE) conducts climate simulations on some of the world’s largest supercomputers. These exascale machines use heterogeneous architectures with both CPUs and GPUs, and scientific codes must adapt to make full use of this computing power. Los Alamos National Lab is developing Omega: The Ocean Model for E3SM Global Applications, which is specifically designed for modern exascale computers. It uses external libraries that have been optimized for a variety of architectures to run on different supercomputers. Omega is an unstructured-mesh ocean model based on TRiSK numerical methods. It will be the new ocean component of the DOE’s Energy Exascale Earth System Model (E3SM). The algorithms in Omega follow those of the current ocean component, MPAS-Ocean, but it will be written in C++ rather than Fortran to take advantage of the Kokkos performance portability library. Omega spatial operators are written as Kokkos kernels to run efficiently on both CPUs and GPUs. Work on Omega began in 2023 with a new C++ framework for unstructured mesh partitioning, halo exchanges, parallel IO, and Kokkos interfaces. The current version, Omega-0, is being developed to solve the shallow water equations and at present includes all of the tendency terms but not time stepping. Here we share the results of Omega-0 verification and performance testing. Verification includes unit tests implemented with CTest as well as convergence tests in Polaris, an in-house python package with a large suite of test problems. Performance tests compare simulations conducted on CPUs versus GPUs and across different architectures: tests are run on Frontier, which has AMD “Optimized 3rd Gen EPYC” CPUs and AMD MI250X GPUs, as well as Perlmutter, which is composed of AMD EPYC 7763 CPUs and NVIDIA A100 GPUs.
58 GEOSCIENCES↗
MSFC crack growth analysis computer program, version 2 (users manual)
An updated version of the George C. Marshall Space Flight Center Crack Growth Analysis Program is described. The updated computer program has significantly expanded capabilities over the original one. This increased capability includes an extensive expansion of the library of stress intensity factors, plotting capability, increased design iteration capability, and the capability of performing proof test logic analysis. The technical approaches used within the computer program are presented, and the input and output formats and options are described. Details of the stress intensity equations, example data, and example problems are presented.
Creager, M.↗
Interpretive computer simulator for the NASA Standard Spacecraft Computer-2 (NSSC-2)
An Interpretive Computer Simulator (ICS) for the NASA Standard Spacecraft Computer-II (NSSC-II) was developed as a code verification and testing tool for the Annular Suspension and Pointing System (ASPS) project. The simulator is written in the higher level language PASCAL and implented on the CDC CYBER series computer system. It is supported by a metal assembler, a linkage loader for the NSSC-II, and a utility library to meet the application requirements. The architectural design of the NSSC-II is that of an IBM System/360 (S/360) and supports all but four instructions of the S/360 standard instruction set. The structural design of the ICS is described with emphasis on the design differences between it and the NSSC-II hardware. The program flow is diagrammed, with the function of each procedure being defined; the instruction implementation is discussed in broad terms; and the instruction timings used in the ICS are listed. An example of the steps required to process an assembly level language program on the ICS is included. The example illustrates the control cards necessary to assemble, load, and execute assembly language code; the sample program to to be executed; the executable load module produced by the loader; and the resulting output produced by the ICS.
Smith, R. S.↗
GRASP/Ada: Graphical Representations of Algorithms, Structures, and Processes for Ada. The development of a program analysis environment for Ada: Reverse engineering tools for Ada, task 2, phase 3
The main objective is the investigation, formulation, and generation of graphical representations of algorithms, structures, and processes for Ada (GRASP/Ada). The presented task, in which various graphical representations that can be extracted or generated from source code are described and categorized, is focused on reverse engineering. The following subject areas are covered: the system model; control structure diagram generator; object oriented design diagram generator; user interface; and the GRASP library.
Cross, James H., II↗
Lunar PMAD technology assessment
This report documents an initial set of power conditioning models created to generate 'ballpark' power management and distribution (PMAD) component mass and size estimates. It contains converter, rectifier, inverter, transformer, remote bus isolator (RBI), and remote power controller (RPC) models. These models allow certain studies to be performed; however, additional models are required to assess a full range of PMAD alternatives. The intent is to eventually form a library of PMAD models that will allow system designers to evaluate various power system architectures and distribution techniques quickly and consistently. The models in this report are designed primarily for space exploration initiative (SEI) missions requiring continuous power and supporting manned operations. The mass estimates were developed by identifying the stages in a component and obtaining mass breakdowns for these stages from near term electronic hardware elements. Technology advances were then incorporated to generate hardware masses consistent with the 2000 to 2010 time period. The mass of a complete component is computed by algorithms that calculate the masses of the component stages, control and monitoring, enclosure, and thermal management subsystem.
Metcalf, Kenneth J.↗
Weaves as an Interconnection Fabric for ASIM's and Nanosatellites
Many of the micromachines under consideration require computer support, indeed, one of the appeals of this technology is the ability to intermix mechanical, optical, analog, and digital devices on the same substrate. The amount of computer power is rarely an issue, the sticking point is the complexity of the software required to make effective use of these devices. Micromachines are the nano-technologist's equivalent of 'golden screws'. In other words, they will be piece parts in larger assemblages. For example, a nano-satellite may be composed of stacked silicon wafers where each wafer contains hundreds to thousands of micromachines, digital controllers, general purpose computers, memories, and high-speed bus interconnects. Comparatively few of these devices will be custom designed, most will be stock parts selected from libraries and catalogs. The novelty will lie in the interconnections. For example, a digital accelerometer may be a component part in an adaptive suspension, a monitoring element embedded in the wrapper of a package, or a portion of the smart skin of a launch vehicle. In each case, this device must inter-operate with other devices and probes for the purposes of command, control, and communication. We propose a software technology called 'weaves' that will permit large collections of micromachines and their attendant computers to freely intercommunicate while preserving modularity, transparency, and flexibility. Weaves are composed of networks of communicating software components. The network, and the components comprising it, may be changed even while the software, and the devices it controls, are executing. This unusual degree of software plasticity permits micromachines to dynamically adapt the software to changing conditions and allows system engineers to rapidly and inexpensively develop special purpose software by assembling stock software components in custom configurations.
Gorlick, Michael M.↗
A Functional Simulator of Spacecraft Resources
The SPAcecraft SIMulator (SPASIM) simulates the functions and resources of a spacecraft to quickly perform Phase A trade-off analyses and uncover any operational bottlenecks during any part of the mission. Failure modes and operational contingencies can be evaluated allowing optimization for a range of mission scenarios. The payloads and subsystems are simulated, using a hierarchy of graphical models, in terms of how their functions affect resources such as propellant, power, and data. Any of the inputs and outputs of the payloads and subsystems can be plotted during the simulation. Most trade-off analyses, including those that compare current versus advanced technology, can be performed by changing values in the parameter menus. However, when a component is replaced by one with a different functional architecture, its graphical model can also be modified or replaced by drawing from a component library. SPASIM has been validated using several spacecraft designs which were at least at the Critical Design Review level. The user and programmer guide, including figures, is available on line as a hyper text document. This is an easy-to-use and expand tool which is based on MATLAB and SIMULINK. It runs on SGI workstations and PCs under Windows 95 or NT.
Liceaga, Carlos A.↗
Gradient-Based Optimization of the Common Research Model Wing Subject to CFD-Based Gust and Flutter Constraints
The linearized frequency-domain method was recently implemented in the stabilized finite element solver in NASA’s FUN3D code. Previous work by the authors used this method for enforcing flutter constraints during gradient-based optimizations. More recently, the solver was expanded to account for continuous (also known as stochastic) gust responses. This paper expands on recent Common Research Model wing optimization work, which demonstrated gradient-based optimization with flutter and stochastic gust constraints, among others. While that work utilized FUN3D for static aeroelastic solutions but relied on doublet lattice aerodynamics for gust and flutter responses, the present work replaces these unsteady aerodynamic analyses with those of FUN3D’s linearized frequency-domain solver. With analytic derivatives available, gradient-based optimization is performed through the use of the OpenMDAO/MPhys libraries with over 700 shape, structural, and aerodynamic design variables and over 10 nonlinear constraints. Comparisons of analysis results and optimized designs are made between doublet lattice and linearized frequency-domain solutions.
aeroelasticity↗
Lowering and Runtime Support for Fortran’s Multi-Image Parallel Features using LLVM Flang, PRIF, and Caffeine
This paper provides an overview of the multi-image parallel features in Fortran 2023 and their implementation in the LLVM flang compiler and the Caffeine parallel runtime library. The features of interest support a Single-Program, Multiple-Data (SPMD) programming model based on executing multiple “images”, each of which is a program instance. The features also support a Partitioned Global Address Space (PGAS) in the form of “coarray” distributed data structures. The paper discusses the lowering of multi-image features to the Parallel Runtime Interface for Fortran (PRIF) and the implementation of PRIF in the Caffeine parallel runtime library. This paper also provides an early view into the design of a new multi-image dialect of the LLVM Multi-Level Intermediate Representation (MLIR). We describe validation and testing of the resulting software stack, and demonstrate that performance compares favorably to another open-source compiler and runtime library: GNU Compiler Collection (GCC) gfortran and OpenCoarrays, respectively.
Bonachea, Dan↗
Advancing MEMS Technology Usage through the MUMPS (Multi-User MEMS Processes) Program
In order to help provide access to advanced micro-electro-mechanical systems (MEMS) technologies and lower the barriers for both industry and academia, the Microelectronic Center of North Carolina (MCNC) and ARPA have developed a program which provides users with access to both MEMS processes and advanced electronic integration techniques. The four distinct aspects of this program, the multi-user MEMS processes (MUMP's), the consolidated micro-mechanical element library, smart MEMS, and the MEMS technology network are described in this paper. MUMP's is an ARPA-supported program created to provide inexpensive access to MEMS technology in a multi-user environment. It is both a proof-of-concept and educational tool that aids in the development of MEMS in the domestic community. MUMP's technologies currently include a 3-layer poly-silicon surface micromachining process and LIGA (lithography, electroforming, and injection molding) processes that provide reasonable design flexibility within set guidelines. The consolidated micromechanical element library (CaMEL) is a library of active and passive MEMS structures that can be downloaded by the MEMS community via the internet. Smart MEMS is the development of advanced electronics integration techniques for MEMS through the application of flip chip technology. The MEMS technology network (TechNet) is a menu of standard substrates and MEMS fabrication processes that can be purchased and combined to create unique process flows. TechNet provides the MEMS community greater flexibility and enhanced technology accessibility.
Koester, D. A.↗
JPL Mission Design Software: Current Efforts to Support Low-Cost Missions
Over the last several decades, engineers at the Jet Propulsion Laboratory have developed a collection of analytical tools to design missions to Earth orbit, the moon, sun, planets and various other bodies in our solar system, and beyond.
low-cost missions multi-mission analysis software ↗
SDSS-IV MaStar: Data-driven Parameter Derivation for the MaStar Stellar Library
The Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) Stellar Library (MaStar) is a large collection of high-quality empirical stellar spectra designed to cover all spectral types and ideal for use in the stellar population analysis of galaxies observed in the MaNGA survey. The library contains 59,266 spectra of 24,130 unique stars with spectral resolution R ~ 1800 and covering a wavelength range of 3622–10,354 Å. In this work, we derive five physical parameters for each spectrum in the library: effective temperature (T eff ), surface gravity ($\mathrm{log} g$), metallicity ([Fe/H]), microturbulent velocity ($\mathrm{log}({v}_{\mathrm{micro}})$), and alpha-element abundance ([α/Fe]). These parameters are derived with a flexible data-driven algorithm that uses a neural network model. We train a neural network using the subset of 1675 MaStar targets that have also been observed in the Apache Point Observatory Galactic Evolution Experiment (APOGEE), adopting the independently-derived APOGEE Stellar Parameter and Chemical Abundance Pipeline parameters for this reference set. For the regions of parameter space not well represented by the APOGEE training set (7000 ≤ T ≤ 30,000 K), we supplement with theoretical model spectra. We present our derived parameters along with an analysis of the uncertainties and comparisons to other analyses from the literature.
79 ASTRONOMY AND ASTROPHYSICS↗
Biomaniac
Los Alamos National Laboratory researchers are developing a machine-learning based algorithm to revolutionize how biopolymers are designed and optimized. BioManIAC is a software platform that fills the gaps in data to gain insight into new potential polymer properties without making and testing them. Polymer engineers are able to use BioManIAC software to extrapolate and tune new biopolymer properties that allow the user to create small smart libraries, rather than largescale trial and error testing. This targeted design is expected to improve both time to market and R&D expenditure, as well as the resulting mechanical properties of biopolymers, enabling for more direct competition with traditional petroleum-based polymers. Los Alamos is seeking partners to further validate our software platform.
36 MATERIALS SCIENCE↗
An overview of very high level software design methods
Very High Level design methods emphasize automatic transfer of requirements to formal design specifications, and/or may concentrate on automatic transformation of formal design specifications that include some semantic information of the system into machine executable form. Very high level design methods range from general domain independent methods to approaches implementable for specific applications or domains. Applying AI techniques, abstract programming methods, domain heuristics, software engineering tools, library-based programming and other methods different approaches for higher level software design are being developed. Though one finds that a given approach does not always fall exactly in any specific class, this paper provides a classification for very high level design methods including examples for each class. These methods are analyzed and compared based on their basic approaches, strengths and feasibility for future expansion toward automatic development of software systems.
Asdjodi, Maryam↗