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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 541 records · Page 30

Applicability of PM3 to transphosphorylation reaction path: Toward designing a minimal ribozyme

A growing body of evidence shows that RNA can catalyze many of the reactions necessary both for replication of genetic material and the possible transition into the modern protein-based world. However, contemporary ribozymes are too large to have self-assembled from a prebiotic oligonucleotide pool. Still, it is likely that the major features of the earliest ribozymes have been preserved as molecular fossils in the catalytic RNA of today. Therefore, the search for a minimal ribozyme has been aimed at finding the necessary structural features of a modern ribozyme (Beaudry and Joyce, 1990). Both a three-dimensional model and quantum chemical calculations are required to quantitatively determine the effects of structural features of the ribozyme on the reaction it catalyzes. Using this model, quantum chemical calculations must be performed to determine quantitatively the effects of structural features on catalysis. Previous studies of the reaction path have been conducted at the ab initio level, but these methods are limited to small models due to enormous computational requirements. Semiempirical methods have been applied to large systems in the past; however, the accuracy of these methods depends largely on a simple model of the ribozyme-catalyzed reaction, or hydrolysis of phosphoric acid. We find that the results are qualitatively similar to ab initio results using large basis sets. Therefore, PM3 is suitable for studying the reaction path of the ribozyme-catalyzed reaction.

Manchester, John I.↗

Spaceport Command and Control System User Interface Testing

The Spaceport Command and Control System will be the National Aeronautics and Space Administration's newest system for launching commercial and government owned spacecraft. It's a large system with many parts all in need of testing. To improve upon testing already done by NASA engineers, the Engineering Directorate, Electrical Division (NE-E) of Kennedy Space Center has hired a group of interns each of the last few semesters to develop novel ways of improving the testing process.

SCCS↗

A Scalable Analysis Toolkit

The Scalable Analysis Toolkit (SAT) project aimed to demonstrate that it is feasible and useful to statically detect software bugs in very large systems. The technical focus of the project was on a relatively new class of constraint-based techniques for analysis software, where the desired facts about programs (e.g., the presence of a particular bug) are phrased as constraint problems to be solved. At the beginning of this project, the most successful forms of formal software analysis were limited forms of automatic theorem proving (as exemplified by the analyses used in language type systems and optimizing compilers), semi-automatic theorem proving for full verification, and model checking. With a few notable exceptions these approaches had not been demonstrated to scale to software systems of even 50,000 lines of code. Realistic approaches to large-scale software analysis cannot hope to make every conceivable formal method scale. Thus, the SAT approach is to mix different methods in one application by using coarse and fast but still adequate methods at the largest scales, and reserving the use of more precise but also more expensive methods at smaller scales for critical aspects (that is, aspects critical to the analysis problem under consideration) of a software system. The principled method proposed for combining a heterogeneous collection of formal systems with different scalability characteristics is mixed constraints. This idea had been used previously in small-scale applications with encouraging results: using mostly coarse methods and narrowly targeted precise methods, useful information (meaning the discovery of bugs in real programs) was obtained with excellent scalability.

Aiken, Alexander↗

AI & Physics-Based Bad Command/Data Detection in Large Power Electronics Systems: Multi-Port Autonomous Reconfigurable Solar Power Plant (MARS)

Detection of bad data from measurement sensors and bad commands from control centers need to be carried out to avoid instabilities within large power electronics systems. Towards the same, in this paper, model and data driven methods are proposed to identify anomalies in measured data and commands received by large power electronics systems. The large power electronics system considered in this paper is a multi-port autonomous reconfigurable solar power plant (MARS), which consists of photovoltaic (PV) and energy storage systems (ESSs) that connect to high-voltage direct current (HVdc) system and transmission ac power grid. The proposed algorithms in the MARS power plant to detect bad data from measurements and bad commands from control centers are evaluated in simulations and hardware-in-the-loop (HIL) tests. Furthermore, it has been observed that the proposed algorithms are able to detect bad measurements and commands in all the use cases evaluated.

14 SOLAR ENERGY↗

Localization crossover and subdiffusive transport in a classical facilitated network model of a disordered interacting quantum spin chain

Here, we consider the random-field Heisenberg model, a paradigmatic model for many-body localization (MBL) and add a Markovian dephasing bath coupled to the Anderson orbitals of the model's noninteracting limit. We map this system to a classical facilitated hopping model that is computationally tractable for large system sizes and investigate its dynamics. The classical model exhibits a robust crossover between an ergodic (thermal) phase and a frozen (localized) phase. The frozen phase is destabilized by thermal subregions (bubbles), which thermalize surrounding sites by providing a fluctuating interaction energy and so enable off-resonance particle transport. Investigating steady-state transport, we observe that the interplay between thermal and frozen bubbles leads to a clear transition between diffusive and subdiffusive regimes. This phenomenology both describes the MBL system coupled to a bath and provides a classical analog for the MBL transition in the corresponding quantum model, in that the classical model displays long local memory times. It also highlights the importance of the details of the bath coupling in studies of MBL systems coupled to thermal environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ASCIE: An integrated experiment to study CSI in large segmented optical systems

A description of the advanced structures/control integrated experiment (ASCIE) experimental setup, a generic test bed for several essential technologies was presented. In particular its multi-input, multi-output, non-collocated control system and its complex structural dynamics, characteristic of large segmented systems make it an ideal test bed for Control-Structure Interaction (CSI) experiments. The high accuracy of its measurement system will make it possible to investigate the dynamics of microvibrations and its implication for the CSI phenomenon.

Aubrun, Jean-Noel↗

Analysis methods for wind turbine control and electrical system dynamics

The integration of new energy technologies into electric power systems requires methods which recognize the full range of dynamic events in both the new generating unit and the power system. Since new energy technologies are initially perceived as small contributors to large systems, little attention is generally paid to system integration, i.e. dynamic events in the power system are ignored. As a result, most new energy sources are only capable of base-load operation, i.e. they have no load following or cycling capability. Wind turbines are no exception. Greater awareness of this implicit (and often unnecessary) limitation is needed. Analysis methods are recommended which include very low penetration (infinite bus) as well as very high penetration (stand-alone) scenarios.

Hinrichsen, E. N.↗

Core and Off-Core Processes in Systems Engineering

An emerging methodology of organizing systems-engineering plans is based on a concept of core and off-core processes or activities. This concept has emerged as a result of recognition of a risk in the traditional representation of systems-engineering plans by a Vee model alone, according to which a large system is decomposed into levels of smaller subsystems, then integrated through levels of increasing scope until the full system is constructed. Actual systems-engineering activity is more complicated, raising the possibility that the staff will become confused in the absence of plans which explain the nature and ordering of work beyond the traditional Vee model.

Breidenthal, Julian↗

Volumetric system calibrates meters for large flow rates

Volumetric system calibrates meters used for large liquid flow rates. The system employs trip probes and equipment to time the flow of liquid from a tare vessel into a calibrated vessel. This calibration system is used in the petroleum and chemical industries.

Source record↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Jettison system for a large inflatable antenna

This paper describes a jettison system used to separate a large, inflatable-deployable antenna from a free-flying spacecraft. The jettison system consists of four discrete Marman band clamps, released simultaneously via pyrotechnics. The design, analysis, analytical simulation, and testing of the system are discussed. Of particular note is the correlation of test results with the Marman band design calculations.

Jarosz, Don↗

On the modelling and simulation of the dynamics and control of large flexible orbiting systems

This paper attempts to review the steps involved in the development of mathematical models that can be used to simulate the in-orbit dynamics of large flexible systems. The use of graph theoretic techniques can often be used to reduce the computational effort involved for calculating the eigenvalues of large ordered systems. Computer generated graphical techniques may provide additional insight into the understanding of elastic modal shape functions of complex systems. Finally the numerical techniques commonly used to develop shape and attitude control laws will be briefly reviewed.

Bainum, P. M.↗

A multilevel optimization of large-scale dynamic systems

A multilevel feedback control scheme is proposed for optimization of large-scale systems composed of a number of (not necessarily weakly coupled) subsystems. Local controllers are used to optimize each subsystem, ignoring the interconnections. Then, a global controller may be applied to minimize the effect of interconnections and improve the performance of the overall system. At the cost of suboptimal performance, this optimization strategy ensures invariance of suboptimality and stability of the systems under structural perturbations whereby subsystems are disconnected and again connected during operation.

Siljak, D. D.↗

Hierarchical Multi-scale Modeling of Laser Weld Failure: An Initial Investigation

The failure of 304L laser welds is of interest to system and component designers due to nuclear safety requirements for abnormal environments. Accurately modeling laser weld behavior in full system and component models has proven especially challenging due to three factors: the large variability observed in laser weld characterization tests; the difficulty in isolating the weld material for material characterization and modeling the weld material behavior; and the disparate scales associated with modeling laser welds in large systems. Recent work has shown that meso-scale geometric features of laser welds such as pores and weld root tortuosity are critical to accurately predicting the structural performance of welds. The challenge with modeling these welds is that the geometric features driving their structural performance are generally on the order of ten to hundreds of microns, but can affect the responses of interest in systems and components on the order of centimeters to meters.

36 MATERIALS SCIENCE↗

Application of geo-truss erectable antenna 1985 - 2000 systems

The geo-truss concept provides a natural structural element to use in the deployment or fabrication of large systems. Three systems conceptually proposed and discussed are: (1) direct TV broadcast to half-time zone, Alaska dnd Hawaii; (2) deep space communication satellite; and (3) coastal water surveillance radar satellite.

Fager, J. A.↗

C++ and operating systems performance - A case study

Object-oriented design and programming has many software engineering advantages. Its application to large systems, however, has previously been constrained by performance concerns. The Choices operating system, which has over 75,000 lines of code, is object-oriented and programmed in C++. This paper is a case study of the performance of Choices.

Russo, Vincent F.↗

Water Security: Trends, Capabilities, and Research Directions to Secure Water Infrastructure

Water and wastewater sector is target rich and resource poor ~153k water utilities, serve 80% of US population ~16k publicly-owned wastewater systems in the US serve 75% of the population Need scalable solutions to fit small and medium to large systems Federal attention to critical infrastructure continues to grow – particularly in the water sector Increase in water sector incidents and threats for large scale disruption – particularly by nation-state actors and their proxies EPA is the SRMA DHS CISA focuses on critical infrastructure protection across sectors They must work together to secure WWW systems Research capabilities to enable secure water systems Current and future threats Resilience – natural disasters, accidents, cyber-physical attacks

99 - GENERAL AND MISCELLANEOUS↗

The development and use of large-motion simulator systems in aeronautical research and development

The paper examines the evolution of manned aircraft simulators with large-motion systems and provides a brief description of important design details along with physical descriptions of a number of systems. Attention is given to the use of large translational motions in providing the simulator pilot with a close approximation of the cues of aircraft flight; examples are cited comparing pilot reactions to simulators with and without motion. How these simulators have been used in programs that effectively influenced aircraft design and operating problems is discussed.

Dusterberry, J. C.↗