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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 613 records · Page 34

General Multimechanism Reversible-Irreversible Time-Dependent Constitutive Deformation Model Being Developed

Since most advanced material systems (for example metallic-, polymer-, and ceramic-based systems) being currently researched and evaluated are for high-temperature airframe and propulsion system applications, the required constitutive models must account for both reversible and irreversible time-dependent deformations. Furthermore, since an integral part of continuum-based computational methodologies (be they microscale- or macroscale-based) is an accurate and computationally efficient constitutive model to describe the deformation behavior of the materials of interest, extensive research efforts have been made over the years on the phenomenological representations of constitutive material behavior in the inelastic analysis of structures. From a more recent and comprehensive perspective, the NASA Glenn Research Center in conjunction with the University of Akron has emphasized concurrently addressing three important and related areas: that is, 1) Mathematical formulation; 2) Algorithmic developments for updating (integrating) the external (e.g., stress) and internal state variables; 3) Parameter estimation for characterizing the model. This concurrent perspective to constitutive modeling has enabled the overcoming of the two major obstacles to fully utilizing these sophisticated time-dependent (hereditary) constitutive models in practical engineering analysis. These obstacles are: 1) Lack of efficient and robust integration algorithms; 2) Difficulties associated with characterizing the large number of required material parameters, particularly when many of these parameters lack obvious or direct physical interpretations.

Saleeb, A. F.↗

Computational Inference of Vibratory System with Incomplete Modal Information Using Parallel, Interactive and Adaptive Markov Chains

Inverse analysis of vibratory system is an important subject in fault identification, model updating, and robust design and control. It is challenging subject because 1) the problem is oftentimes underdetermined while the measurements are limited and/or incomplete; 2) many combinations of parameters may yield results that are similar with respect to actual response measurements; and 3) uncertainties inevitably exist. The aim of this research is to leverage upon computational intelligence through statistical inference to facilitate an enhanced, probabilistic framework using incomplete modal response measurement. This new framework is built upon efficient inverse identification through optimization, whereas Bayesian inference is employed to account for the effect of uncertainties. To overcome the computational cost barrier, we adopt Markov chain Monte Carlo (MCMC) to characterize the target function/distribution. Instead of using single Markov chain in conventional Bayesian approach, we develop a new sampling theory with multiple parallel, interactive and adaptive Markov chains and incorporate it into Bayesian inference. This can harness the collective power of these Markov chains to realize the concurrent search of multiple local optima. The number of required Markov chains and their respective initial model parameters are automatically determined via Monte Carlo simulation-based sample pre-screening followed by K-means clustering analysis. These enhancements can effectively address the aforementioned challenges in finite element inverse analysis. The validity of this framework is systematically demonstrated through case studies.

K Zhou↗

Watching the Watchers with Verified Formal-Assurance Tools (Abbreviated Final Report)

The “Watching the Watchers” project studied the problem of establishing assurance cases for tools that are used to assure other things. Specifically, we were interested in understanding the tools and techniques one could apply to software to build an assurance case to evaluate their applicability, difficulty, level of assurance provided, and scalability. To do so we chose a set of use cases of relevance to LLNL and our various DOE and non-DOE partners and developed demonstrators to perform this evaluation. Our key focal point was around additive manufacturing problems and assurance gaps that we identified in the additive manufacturing workflow from start to completion. We also explored other areas related to AI, data analysis, and concurrent programming. Follow-on research is planned to take our prototypes from this project and adapt and mature them to fit LLNL mission applications.

97 MATHEMATICS AND COMPUTING↗

AFRL Additive Manufacturing Modeling Series: Challenge 4, In Situ Mechanical Test of an IN625 Sample with Concurrent High-Energy Diffraction Microscopy Characterization

In this work, we describe 3D characterization of an additively manufactured Inconel 625 nickel-base superalloy specimen conducted during a uniaxial tension test using a suite of nondestructive x-ray techniques. High-energy diffraction microscopy in both near- and far-field modalities are employed in situ to track evolution of the material orientation and stress–strain fields at six points during the mechanical test, and these data streams are registered with micro-computed tomography reconstructions which probe the material density. This data volume was matched to a multi-modal serial sectioning characterization of the specimen taken after loading, described in this article’s companion. Twenty-eight grains which were monitored throughout the experiment were selected to form the basis for AFRL AM Modeling Series Challenge 4, Microscale Structure-to-Properties.

36 MATERIALS SCIENCE↗

A fast, dense Chebyshev solver for electronic structure on GPUs

Matrix diagonalization is almost always involved in computing the density matrix needed in quantum chemistry calculations. In the case of modest matrix sizes (≲4000), performance of traditional dense diagonalization algorithms on modern GPUs is underwhelming compared to the peak performance of these devices. This motivates the exploration of alternative algorithms better suited to these types of architectures. We newly derive, and present in detail, an existing Chebyshev expansion algorithm whose number of required matrix multiplications scales with the square root of the number of terms in the expansion. Focusing on dense matrices of modest size, our implementation on GPUs results in large speed ups when compared to diagonalization. Additionally, we improve upon this existing method by capitalizing on the inherent task parallelism and concurrency in the algorithm. Furthermore, this improvement is implemented on GPUs by using CUDA and HIP streams via the MAGMA library and leads to a significant speed up over the serial-only approach for smaller (≲1000) matrix sizes. Finally, we apply our technique to a model system with a high density of states around the Fermi level, which typically presents significant challenges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis

The scientific computing paradigm has transitioned from compute-intensive to I/O-intensive and memory-intensive in the past decade, especially when data-driven science has become common practice. Numerous empirical I/O-aware scheduling optimizations have been developed by incorporating I/O capacity and bandwidth as constraints into scheduling. Unfortunately, there is a lack of data flow (I/O) characterization tool and an understanding of trade-offs between concurrency, locality, and I/O bandwidth. To bridge the gap, this work 1) presents a set of descriptors to characterize, organize, and visualize I/O profiles, including flow size, I/O bandwidth, and operation count, which group data flows by I/O types, tasks, and files; 2) proposes an I/O Roofline model-based trade-off analysis to find the optimal trade-off between flow operational intensity, concurrency, and flow performance. The I/O descriptors generate useful insights into complicated I/O behaviors, suggesting distinct concurrency, storage, and scheduling to be used by types, tasks, and files. The proposed trade-off analysis guides scheduling decisions that generate resource assignment with the best flow parallelism. We evaluate our I/O-aware scheduling methodology on a highly I/O-intensive workflow–1000 Genomes. The experimental results demonstrate speedups of up to 2.4× compared to the state-of-the- art methods.

Guo, Luanzheng [BATTELLE (PACIFIC NW LAB)]↗

Dynamic systems-engineering process - The application of concurrent engineering

A system engineering methodology is described which enables users, particulary NASA and DOD, to accommodate changing needs; incorporate emerging technologies; identify, quantify, and manage system risks; manage evolving functional requirements; track the changing environment; and reduce system life-cycle costs. The approach is a concurrent, dynamic one which starts by constructing a performance model defining the required system functions and the interrelationships. A detailed probabilistic risk assessment of the system elements and their interrelationships is performed, and quantitative analysis of the reliability and maintainability of an engineering system allows its different technical and process failure modes to be identified and their probabilities to be computed. Decision makers can choose technical solutions that maximize an objective function and minimize the probability of failure under resource constraints.

Wiskerchen, Michael J.↗

4D-Var Developement at GMAO

The Global Modeling and Assimilation Offce (GMAO) is currently using an IAU-based 3D-Var data assimilation system. GMAO has been experimenting with a 3D-Var-hybrid version of its data assimilation system (DAS) for over a year now, which will soon become operational and it will rapidly progress toward a 4D-EnVar. Concurrently, the machinery to exercise traditional 4DVar is in place and it is desirable to have a comparison of the traditional 4D approach with the other available options, and evaluate their performance in the Goddard Earth Observing System (GEOS) DAS. This work will also explore the possibility for constructing a reduced order model (ROM) to make traditional 4D-Var computationally attractive for increasing model resolutions. Part of the research on ROM will be to search for a suitably acceptable space to carry on the corresponding reduction. This poster illustrates how the IAU-based 4D-Var assimilation compares with our currently used IAU-based 3D-Var.

GMAO↗

Distributed Quantum Learning with co-Management in a Multi-tenant Quantum System

The rapid advancement of quantum computing has pushed classical designs into the quantum domain, breaking physical boundaries for computing-intensive and data-hungry applications with the hope that some systems may provide a quantum speedup. For example, variational quantum algorithms have been proposed for quantum neural networks to train deep learning models on qubits, achieving promising results. Existing quantum learning architectures and systems rely on single, monolithic quantum machines with abundant and stable resources, such as qubits. However, fabricating a large, monolithic quantum device is considerably more challenging than producing an array of smaller devices. In this paper, we investigate a distributed quantum system that combines multiple quantum machines into a unified system. We propose DQuLearn, which divides a quantum learning task into multiple subtasks. Each subtask can be executed distributively on individual quantum machines, with the results looping back to classical machines for subsequent training iterations. Additionally, our system supports multiple concurrent clients and dynamically manages their circuits according to the runtime status of quantum workers. Through extensive experiments, we demonstrate that DQuLearn achieves similar accuracies with significant runtime reduction, by up to 68.7% and an increase per-second circuit processing speed, by up to 3.99 times, in a 4-worker multi-tenant setting.

quantum computing↗

Towards a general object-oriented software development methodology

Object diagrams were used to design a 5000 statement team training exercise and to design the entire dynamics simulator. The object diagrams are also being used to design another 50,000 statement Ada system and a personal computer based system that will be written in Modula II. The design methodology evolves out of these experiences as well as the limitations of other methods that were studied. Object diagrams, abstraction analysis, and associated principles provide a unified framework which encompasses concepts from Yourdin, Booch, and Cherry. This general object-oriented approach handles high level system design, possibly with concurrency, through object-oriented decomposition down to a completely functional level. How object-oriented concepts can be used in other phases of the software life-cycle, such as specification and testing is being studied concurrently.

Seidewitz, ED↗

Computer-Access-Code Matrices

Authorized users respond to changing challenges with changing passwords. Scheme for controlling access to computers defeats eavesdroppers and "hackers". Based on password system of challenge and password or sign, challenge, and countersign correlated with random alphanumeric codes in matrices of two or more dimensions. Codes stored on floppy disk or plug-in card and changed frequently. For even higher security, matrices of four or more dimensions used, just as cubes compounded into hypercubes in concurrent processing.

Collins, Earl R., Jr.↗

Shear-induced opening of the coronal magnetic field

This work describes the evolution of a model solar corona in response to motions of the footpoints of its magnetic field. The mathematics involved is semianalytic, with the only numerical solution being that of an ordinary differential equation. This approach, while lacking the flexibility and physical details of full MHD simulations, allows for very rapid computation along with complete and rigorous exploration of the model's implications. We find that the model coronal field bulges upward, at first slowly and then more dramatically, in response to footpoint displacements. The energy in the field rises monotonically from that of the initial potential state, and the field configuration and energy appraoch asymptotically that of a fully open field. Concurrently, electric currents develop and concentrate into a current sheet as the limiting case of the open field is approached. Examination of the equations shows rigorously that in the asymptotic limit of the fully open field, the current layer becomes a true ideal MHD singularity.

Wolfson, Richard↗

Tikiri—Towards a lightweight blockchain for IoT

Internet of Things (IoT) platforms have been deployed in several domains to enhance efficiency of business process and improve productivity. Most IoT platforms comprise of heterogeneous software and hardware components which can potentially introduce security and privacy challenges. Blockchain technology has been proposed as one of the solutions to realize IoT security by leveraging the (a) Immutable ledger, (b) Decentralized architecture and (c) Strong cryptography primitives. However, integrating blockchain platforms with IoT based applications presents several challenges due to lack of (a) acceptable performance on resource-constrained devices, (b) high transaction throughput, (c) keyword-based search and retrieve, (d) transaction back pressure operations, and (e) real-time response. In this paper, we propose a lightweight blockchain platform, “Tikiri”, for resource-constrained IoT devices. Tikiri uses Apache Kafka for the consensus and proposes new blockchain architecture to handle real-time transaction execution on the blockchain. Tikiri is characterized by functional programming and actor-based smart contract platform that realizes concurrent execution of transactions in the blockchain. Tikiri realizes a lightweight and scalable blockchain that can provides performance on the resource-constrained IoT devices.

97 MATHEMATICS AND COMPUTING↗

Photoresponsive Rotaxanes Switch Lipid Bilayer Neuromorphic Behavior with Light

A rotaxane consisting of a macrocycle ring with two azobenzene units mechanically interlocked onto a bolaamphiphilic axle was incorporated into droplet interface bilayers (DIBs). The azobenzene groups on the ring underwent quasi-reversible, photoisomerization-induced cycling between 1-E and 1-Z configurations when irradiated with 370 and 467 nm light, respectively, enabling programmable access to different history-dependent electrical behaviors from the same membrane. In the 1-E configuration, bilayers exhibited type-IIactive memristance that coincided with increasingly elevated ionic conduction, associated with progressively enhanced bilayer permeability during voltage cycling. In the 1-Z configuration, bilayers displayed type-I, passive memcapacitive behavior, reflecting tighter lipid packing and reduced ionic permeability. Photoswitching also yielded a nonvolatile, photoresponsive memcapacitor that could be modulated repetitively with negligible loss, likely via reversible changes in membrane thickness. Concurrent ohmic leakage currents across the membrane were less than 0.3%. These results agree with previous studies with increasing membrane permeability using photoswitchable rotaxanes and provide new insights into the coupling between volatile and nonvolatile memcapacitance during photoisomerization. More broadly, they demonstrate a new strategy for the manipulation of neuromorphic behaviors in soft materials using light, with implications for brain-inspired computation and sensing.

droplet interface bilayers↗

MAX - An advanced parallel computer for space applications

MAX is a fault-tolerant multicomputer hardware and software architecture designed to meet the needs of NASA spacecraft systems. It consists of conventional computing modules (computers) connected via a dual network topology. One network is used to transfer data among the computers and between computers and I/O devices. This network's topology is arbitrary. The second network operates as a broadcast medium for operating system synchronization messages and supports the operating system's Byzantine resilience. A fully distributed operating system supports multitasking in an asynchronous event and data driven environment. A large grain dataflow paradigm is used to coordinate the multitasking and provide easy control of concurrency. It is the basis of the system's fault tolerance and allows both static and dynamical location of tasks. Redundant execution of tasks with software voting of results may be specified for critical tasks. The dataflow paradigm also supports simplified software design, test and maintenance. A unique feature is a method for reliably patching code in an executing dataflow application.

Lewis, Blair F.↗

Task Analytic Models to Guide Analysis and Design: Use of the Operator Function Model to Represent Pilot-Autoflight System Mode Problems

Task-analytic models structure essential information about operator interaction with complex systems, in this case pilot interaction with the autoflight system. Such models serve two purposes: (1) they allow researchers and practitioners to understand pilots' actions; and (2) they provide a compact, computational representation needed to design 'intelligent' aids, e.g., displays, assistants, and training systems. This paper demonstrates the use of the operator function model to trace the process of mode engagements while a pilot is controlling an aircraft via the, autoflight system. The operator function model is a normative and nondeterministic model of how a well-trained, well-motivated operator manages multiple concurrent activities for effective real-time control. For each function, the model links the pilot's actions with the required information. Using the operator function model, this paper describes several mode engagement scenarios. These scenarios were observed and documented during a field study that focused on mode engagements and mode transitions during normal line operations. Data including time, ATC clearances, altitude, system states, and active modes and sub-modes, engagement of modes, were recorded during sixty-six flights. Using these data, seven prototypical mode engagement scenarios were extracted. One scenario details the decision of the crew to disengage a fully automatic mode in favor of a semi-automatic mode, and the consequences of this action. Another describes a mode error involving updating aircraft speed following the engagement of a speed submode. Other scenarios detail mode confusion at various phases of the flight. This analysis uses the operator function model to identify three aspects of mode engagement: (1) the progress of pilot-aircraft-autoflight system interaction; (2) control/display information required to perform mode management activities; and (3) the potential cause(s) of mode confusion. The goal of this paper is twofold: (1) to demonstrate the use of the operator functio model methodology to describe pilot-system interaction while engaging modes And monitoring the system, and (2) to initiate a discussion of how task-analytic models might inform design processes. While the operator function model is only one type of task-analytic representation, the hypothesis of this paper is that some type of task analytic structure is a prerequisite for the design of effective human-automation interaction.

Degani, Asaf↗

Early Inference of Nuclear Technology-Directed Research Activities of Authors from Scientific Publications

Nuclear research articles can provide information about early nuclear proliferation indicators such as influential research entities and technology capability levels of a country, but detection of nuclear activities typically occurs after they have started. We investigate the extent to which nuclear research articles can be used to infer whether a research entity will acquire or develop a nuclear technology before it happens. Early detection of nuclear proliferation or technology development indicators from data is challenging due to partial observability, sparse and unlabeled information, and confounding signals from multiple concurrent activities. This paper presents the early detection problem as a sequential decision-making, goal inference problem, where the objective is to characterize and predict an individual’s, organization’s, or a country’s intent (unobserved goal-directed behavior) towards developing a nuclear capability from partially observed sequences of their research publications, using inverse reinforcement learning and Bayesian goal inference methods. A computational framework is presented, and its application demonstrated using 29,196 Scopus records for a case study related to a civil nuclear capability. The case study results serve as a proof-of-concept demonstration for inference of technology-directed research activity of authors who publish in the nuclear domain. The inference method, combined with advanced computing, may be used to assess and monitor activities pertaining to early developmental stages of a nuclear technology or capability, which in turn can help to identify and prioritize activities with nuclear proliferation potential for further investigation.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Fiats: Functional inference and training for surrogates

Fiats provides a platform for research on the training and deployment of neural-network surrogate models for computational science. Fiats also supports exploring, advancing, and combining functional, object-oriented, and parallel programming patterns in Fortran 2023. As such, the Fiats name has dual expansions: “Functional Inference And Training for Surrogates” or “Fortran Inference And Training for Science.” Fiats inference and training procedures are pure and therefore satisfy a language constraint imposed on procedure invocations inside Fortran’s parallel loop construct: do concurrent. Furthermore, the Fiats training procedures are built around a do concurrent parallel reduction. Several compilers can automatically parallelize do concurrent on Central Processing Units (CPUs) or Graphics Processing Units (GPUs). Fiats thus aims to achieve performance portability through standard language mechanisms.

Rouson, Damian [Lawrence Berkeley National Laborat↗