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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

The flight telerobotic servicer: From functional architecture to computer architecture

After a brief tutorial on the NASA/National Bureau of Standards Standard Reference Model for Telerobot Control System Architecture (NASREM) functional architecture, the approach to its implementation is shown. First, interfaces must be defined which are capable of supporting the known algorithms. This is illustrated by considering the interfaces required for the SERVO level of the NASREM functional architecture. After interface definition, the specific computer architecture for the implementation must be determined. This choice is obviously technology dependent. An example illustrating one possible mapping of the NASREM functional architecture to a particular set of computers which implements it is shown. The result of choosing the NASREM functional architecture is that it provides a technology independent paradigm which can be mapped into a technology dependent implementation capable of evolving with technology in the laboratory and in space.

Lumia, Ronald↗
NASA NTRS1990

Metal matrix composites microfracture: Computational simulation

Fiber/matrix fracture and fiber-matrix interface debonding in a metal matrix composite (MMC) are computationally simulated. These simulations are part of a research activity to develop computational methods for microfracture, microfracture propagation and fracture toughness of the metal matrix composites. The three-dimensional finite element model used in the simulation consists of a group of nine unidirectional fibers in three by three unit cell array of SiC/Ti15 metal matrix composite with a fiber volume ration of 0.35. This computational procedure is used to predict the fracture process and establish the hierarchy of fracture modes based on strain energy release rate. It is also used to predict stress redistribution to surrounding matrix-fibers due to initial and progressive fracture of fiber/matrix and due to debonding of fiber-matrix interface. Microfracture results for various loading cases such as longitudinal, transverse, shear and bending are presented and discussed. Step-by-step procedures are outlined to evaluate composite microfracture for a given composite system.

Mital, Subodh K.↗
NASA NTRS1990

Metal matrix composites microfracture - Computational simulation

Fiber/matrix fracture and fiber-matrix interface debonding in a metal matrix composite (MMC) are computationally simulated. These simulations are part of a research activity to develop computational methods for microfracture, microfracture propagation and fracture toughness of the metal matrix composites. The three-dimensional finite element model used in the simulation consists of a group of nine unidirectional fibers in three by three unit cell array of SiC/Ti15 metal matrix composite with a fiber volume ration of 0.35. This computational procedure is used to predict the fracture process and establish the hierarchy of fracture modes based on strain energy release rate. It is also used to predict stress redistribution to surrounding matrix-fibers due to initial and progressive fracture of fiber/matrix and due to debonding of fiber-matrix interface. Microfracture results for various loading cases such as longitudinal, transverse, shear and bending are presented and discussed. Step-by-step procedures are outlined to evaluate composite microfracture for a given composite system.

Mital, S. K.↗
DOE OSTI2025

A time-parallel multiple-shooting method for large-scale quantum optimal control

Quantum optimal control plays a crucial role in quantum computing by providing the interface between compiler and hardware. Solving the optimal control problem is particularly challenging for multi-qubit gates, due to the exponential growth in computational complexity with the system's dimensionality and the deterioration of optimization convergence. To ameliorate the computational complexity of time-integration, this paper introduces a multiple-shooting approach in which the time domain is divided into multiple windows and the intermediate states at window boundaries are treated as additional optimization variables. Further, this enables parallel computation of state evolution across time-windows, significantly accelerating objective function and gradient evaluations. Since the initial state matrix in each window is only guaranteed to be unitary upon convergence of the optimization algorithm, the conventional gate trace infidelity is replaced by a generalized infidelity that is convex for non-unitary state matrices. Continuity of the state across window boundaries is enforced by equality constraints. A quadratic penalty optimization method is used to solve the constrained optimal control problem, and an efficient adjoint technique is employed to calculate the gradients in each iteration. We demonstrate the effectiveness of the proposed method through numerical experiments on quantum Fourier transform gates in systems with 2, 3, and 4 qubits, noting a speedup of 80x for evaluating the gradient in the 4-qubit case, highlighting the method's potential for optimizing control pulses in multi-qubit quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape

Since the advent of the first computers, chemists have been at the forefront of using computers to understand and solve complex chemical problems. As the hardware and software have evolved, so have the theoretical and computational chemistry methods and algorithms. Parallel computers clearly changed the common computing paradigm in the late 1970s and 80s, and the field has again seen a paradigm shift with the advent of graphical processing units. This review explores the challenges and some of the solutions in transforming software from the terascale to the petascale and now to the upcoming exascale computers. While discussing the field in general, NWChem and its redesign, NWChemEx, will be highlighted as one of the early codesign projects to take advantage of massively parallel computers and emerging software standards to enable large scientific challenges to be tackled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

A fiber-resin micromechanics analysis of the delamination front in a DCB specimen

A 3-D finite element model was developed to analyze the fiber-resin behavior near the delamination front in a graphite-epoxy double cantilever beam (DCB) specimen. The specimen interior was analyzed using a typical one-fiber slice, represented by a local 3-D fiber-resin model. The resin stresses were computed for the resin-rich layer at the ply interface as well as for the regions between the fibers close to the delamination front. However, the computed strain energy release rate G sub I along the delamination front varied by less than two percent, and was within about four percent of the plane-strain value. The von Mises yield criterion was used to estimate the extent of yielding near the delamination front. The yielding extended ahead of the delamination and also developed between the fibers. Although the fibers had only a negligible effect on G sub I, they caused yielding within the ply and therefore could influence delamination fracture toughness. The normal and shear stresses at the fiber-resin interface were computed near the delamination front. These results suggest that multi-axial stress criteria may be required to analyze fiber-resin interfaces.

Crews, J. H.↗
NASA NTRS1980

The Spacelab Experiment Interface Device (SEID)

The Spacelab experiment interface device (SEID) is described which simulates the electrical, and logical connections of the Spacelab remote acquisition unit (RAU), the interface functions of the Spacelab experiment computer software, and the electrical aspects of the high rate multiplexer. Simulated RAU interfaces include PCM serial channels (up to four), user time clock (UTC), flexible inputs (up to 128) and discrete outputs (up to 64). Connectors are logically compatible with the rau. be instructed to execute sequences of input/output commands to the RAU, similar to those performed during flight. This approximation of the experiment computer software is adequate to detect interface problems and prevent these from occurring during Spacelab payload integration. The SEID hardware is a microprocessor based system, utilizing an 8085 microprocessor with 6K of PROM and 4K of static RAM. The basic unit is augmented with an LSI-11 microcomputer to provide disk storage and a more dynamic environment for generation of control data. A simulation of the general monitoring loop is provided to emulate Spacelab system timing.

Kallus, R.↗
NASA NTRS1980

Mark 3 correlator hardware and software

The Mark 3 correlator system is described in some detail. The correlator system is based on a modular philosophy. Each correlator module independently processes the data from one track pair. Therefore, 28 modules are necessary to complete a full one baseline processor and 84 modules for a full 3 baseline processor. Each correlator module has two interfaces: (1) data and clock from each of the two tracks to be correlated and (2) Computer Automated Measurement and Control (CAMAC) dataway interface to the computer. The processor is organized around the IEEE CAMAC standard architecture, housing 15 correlator modules in each of 6 crates. This allows one pass processing of a full 3 baseline 28 track observation or a 6 baseline (4 station) 14 track observation. The correlator architecture allows easy expansion for up to 8 stations. The computer system is an HP 1000 system utilizing a 16 bit minicomputer with disc and tape peripherals. The processing software is also organized in a modular fashion with many independent but cooperative programs controlling the operation of the Mark 3 processor. Processing time through the correlator is normally real time or faster, with graphics displays providing real time monitor and control of the processing operation.

Whitney, A. R.↗
NASA NTRS1992

Reliability analysis of laminated CMC components through shell subelement techniques

An updated version of the integrated design program Composite Ceramics Analysis and Reliability Evaluation of Structures (C/CARES) was developed for the reliability evaluation of ceramic matrix composites (CMC) laminated shell components. The algorithm is now split into two modules: a finite-element data interface program and a reliability evaluation algorithm. More flexibility is achieved, allowing for easy implementation with various finite-element programs. The interface program creates a neutral data base which is then read by the reliability module. This neutral data base concept allows easy data transfer between different computer systems. The new interface program from the finite-element code Matrix Automated Reduction and Coupling (MARC) also includes the option of using hybrid laminates (a combination of plies of different materials or different layups) and allows for variations in temperature fields throughout the component. In the current version of C/CARES, a subelement technique was implemented, enabling stress gradients within an element to be taken into account. The noninteractive reliability function is now evaluated at each Gaussian integration point instead of using averaging techniques. As a result of the increased number of stress evaluation points, considerable improvements in the accuracy of reliability analyses were realized.

Starlinger, Alois↗
DOE OSTI2024

Performance on HPC Platforms Is Possible Without C++

Computing at large scales has become extremely challenging due to increasing heterogeneity in both hardware and software. More and more scientific workflows must tackle a range of scales and use machine learning and AI intertwined with more traditional numerical modeling methods, placing more demands on computational platforms. These constraints indicate a need to fundamentally rethink the way computational science is done and the tools that are needed to enable these complex workflows. The current set of C++-based solutions may not suffice, and relying exclusively upon C++ may not be the best option, especially because several newer languages and boutique solutions offer more robust design features to tackle the challenges of heterogeneity. In June 2023, we held a mini symposium that explored the use of newer languages and heterogeneity solutions that are not tied to C++ and that offer options beyond template metaprogramming and Parallel. For for performance and portability. In conclusion, we describe some of the presentations and discussion from the mini symposium in this article.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Multistage Magnetic Separator of Cells and Proteins

The multistage electromagnetic separator for purifying cells and magnetic particles (MAGSEP) is a laboratory apparatus for separating and/or purifying particles (especially biological cells) on the basis of their magnetic susceptibility and magnetophoretic mobility. Whereas a typical prior apparatus based on similar principles offers only a single stage of separation, the MAGSEP, as its full name indicates, offers multiple stages of separation; this makes it possible to refine a sample population of particles to a higher level of purity or to categorize multiple portions of the sample on the basis of magnetic susceptibility and/or magnetophoretic mobility. The MAGSEP includes a processing unit and an electronic unit coupled to a personal computer. The processing unit includes upper and lower plates, a plate-rotation system, an electromagnet, an electromagnet-translation system, and a capture-magnet assembly. The plates are bolted together through a roller bearing that allows the plates to rotate with respect to each other. An interface between the plates acts as a seal for separating fluids. A lower cuvette can be aligned with as many as 15 upper cuvette stations for fraction collection during processing. A two-phase stepping motor drives the rotation system, causing the upper plate to rotate for the collection of each fraction of the sample material. The electromagnet generates a magnetic field across the lower cuvette, while the translation system translates the electromagnet upward along the lower cuvette. The current supplied to the electromagnet, and thus the magnetic flux density at the pole face of the electromagnet, can be set at a programmed value between 0 and 1,400 gauss (0.14 T). The rate of translation can be programmed between 5 and 2,000 m/s so as to align all sample particles in the same position in the cuvette. The capture magnet can be a permanent magnet. It is mounted on an arm connected to a stepping motor. The stepping motor rotates the arm to position the capture magnet above the upper cuvette into which a fraction of the sample is collected. The electronic unit includes a power switch, power-supply circuitry that accepts 110-Vac input power, an RS-232 interface, and status lights. The personal computer runs the MAGSEP software and controls the operation of the MAGSEP through the RS-232 interface. The status of the power, the translating electromagnet, the capture magnet, and the rotation of the upper plate are indicated in a graphical user interface on the computer screen.

Barton, Ken↗
DOE OSTI2023

BMX: Biological modelling and interface exchange

Abstract High performance computing has a great potential to provide a range of significant benefits for investigating biological systems. These systems often present large modelling problems with many coupled subsystems, such as when studying colonies of bacteria cells. The aim to understand cell colonies has generated substantial interest as they can have strong economic and societal impacts through their roles in in industrial bioreactors and complex community structures, called biofilms, found in clinical settings. Investigating these communities through realistic models can rapidly exceed the capabilities of current serial software. Here, we introduce BMX, a software system developed for the high performance modelling of large cell communities by utilising GPU acceleration. BMX builds upon the AMRex adaptive mesh refinement package to efficiently model cell colony formation under realistic laboratory conditions. Using simple test scenarios with varying nutrient availability, we show that BMX is capable of correctly reproducing observed behavior of bacterial colonies on realistic time scales demonstrating a potential application of high performance computing to colony modelling. The open source software is available from the zenodo repository https://doi.org/10.5281/zenodo.8084270 under the BSD-2-Clause licence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗
NASA NTRS1995

Distributed and collaborative synthetic environments

Fast graphics workstations and increased computing power, together with improved interface technologies, have created new and diverse possibilities for developing and interacting with synthetic environments. A synthetic environment system is generally characterized by input/output devices that constitute the interface between the human senses and the synthetic environment generated by the computer; and a computation system running a real-time simulation of the environment. A basic need of a synthetic environment system is that of giving the user a plausible reproduction of the visual aspect of the objects with which he is interacting. The goal of our Shastra research project is to provide a substrate of geometric data structures and algorithms which allow the distributed construction and modification of the environment, efficient querying of objects attributes, collaborative interaction with the environment, fast computation of collision detection and visibility information for efficient dynamic simulation and real-time scene display. In particular, we address the following issues: (1) A geometric framework for modeling and visualizing synthetic environments and interacting with them. We highlight the functions required for the geometric engine of a synthetic environment system. (2) A distribution and collaboration substrate that supports construction, modification, and interaction with synthetic environments on networked desktop machines.

Bajaj, Chandrajit L.↗
NASA NTRS2004

Tools for Administration of a UNIX-Based Network

Several computer programs have been developed to enable efficient administration of a large, heterogeneous, UNIX-based computing and communication network that includes a variety of computers connected to a variety of subnetworks. One program provides secure software tools for administrators to create, modify, lock, and delete accounts of specific users. This program also provides tools for users to change their UNIX passwords and log-in shells. These tools check for errors. Another program comprises a client and a server component that, together, provide a secure mechanism to create, modify, and query quota levels on a network file system (NFS) mounted by use of the VERITAS File SystemJ software. The client software resides on an internal secure computer with a secure Web interface; one can gain access to the client software from any authorized computer capable of running web-browser software. The server software resides on a UNIX computer configured with the VERITAS software system. Directories where VERITAS quotas are applied are NFS-mounted. Another program is a Web-based, client/server Internet Protocol (IP) address tool that facilitates maintenance lookup of information about IP addresses for a network of computers.

LeClaire, Stephen↗
NASA NTRS2003

Design Through Manufacturing: The Solid Model - Finite Element Analysis Interface

State-of-the-art computer aided design (CAD) presently affords engineers the opportunity to create solid models of machine parts which reflect every detail of the finished product. Ideally, these models should fulfill two very important functions: (1) they must provide numerical control information for automated manufacturing of precision parts, and (2) they must enable analysts to easily evaluate the stress levels (using finite element analysis - FEA) for all structurally significant parts used in space missions. Today's state-of-the-art CAD programs perform function (1) very well, providing an excellent model for precision manufacturing. But they do not provide a straightforward and simple means of automating the translation from CAD to FEA models, especially for aircraft-type structures. The research performed during the fellowship period investigated the transition process from the solid CAD model to the FEA stress analysis model with the final goal of creating an automatic interface between the two. During the period of the fellowship a detailed multi-year program for the development of such an interface was created. The ultimate goal of this program will be the development of a fully parameterized automatic ProE/FEA translator for parts and assemblies, with the incorporation of data base management into the solution, and ultimately including computational fluid dynamics and thermal modeling in the interface.

Rubin, Carol↗