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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination

Low-cost solution-based synthesis of metal halide perovskites (MHPs) invariably introduces defects in the system, which could form Shockley-Read-Hall (SRH) electron-hole recombination centers detrimental to solar conversion efficiency. Here, we investigate the nonradiative recombination processes due to native point defects in methylammonium lead halide (MAPbI 3 ) perovskites using ab initio nonadiabatic molecular dynamics within surface-hopping framework. Regardless of whether the defects introduce a shallow or deep band state, we find that charge recombination in MAPbI 3 is not enhanced, contrary to predictions from SRH theory. We demonstrate that this strong tolerance against defects, and hence the breakdown of SRH, arises because the photogenerated carriers are only coupled with low-frequency phonons and electron and hole states overlap weakly. Both factors appreciably decrease the nonadiabatic coupling. We argue that the soft nature of the inorganic lattice with small bulk modulus is key for defect tolerance, and hence, the findings are general to other MHPs.

Science & Technology - Other Topics↗
DOE OSTI2021

Data-Driven Learning of Nonautonomous Systems

In this work, we present a numerical framework for recovering unknown nonautonomous dynamical systems with time-dependent inputs. To circumvent the difficulty presented by the nonautonomous nature of the system, our method transforms the solution state into piecewise integration of the system over a discrete set of time instances. The time-dependent inputs are then locally parameterized by using a proper model, for example, polynomial regression, in the pieces determined by the time instances. This transforms the original system into a piecewise parametric system that is locally time invariant. We then design a deep neural network structure to learn the local models. Once the network model is constructed, it can be iteratively used over time to conduct global system prediction. We provide theoretical analysis of our algorithm and present a number of numerical examples to demonstrate the effectiveness of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

YAHFC: A Code Framework to Model Nuclear Reactions and Estimate Correlated Uncertainties

Reaction modeling is a key ingredient in designing experiments and interpreting their results, and is an essential component in the process of evaluating nuclear data and assembling nuclear data libraries used in nuclear technology applications. Typically, experimental data are available only for a handful of reaction channels and theory models are used to fill in the gaps. In addition, theory is often called upon as the arbitrator between discrepant data. Most importantly, theory and modeling are required for an accurate determination of uncertainties in the evaluated data and the correlations between the multiple channels. A fast, accurate, and flexible modeling capability has been developed at LLNL with the code system YAHFC (Yet Another Hauser-Feshbach Code). YAHFC is a Monte Carlo, Hauser-Feshbach code framework, making full use of dynamic memory allocation, derived types, and parallel computing. YAHFC can generate events to simulate experiments and is guiding experiments designed to measure inelastic neutron scattering from actinide targets. YAHFC is also being used to analyze decays from surrogate experiments, thereby enabling the inference of reaction cross sections inaccessible by direct measurement. Finally, by modeling nuclear reactions with constraints from experimental data, YAHFC can deliver complete nuclear data libraries, with evaluated uncertainties, using the modernized Generalized Nuclear Data Structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1977

Assessing the future of air freight

The role of air cargo in the current transportation system in the United States is explored. Methods for assessing the future role of this mode of transportation include the use of continuous-time recursive systems modeling for the simulation of different components of the air freight system, as well as for the development of alternative future scenarios which may result from different policy actions. A basic conceptual framework for conducting such a dynamic simulation is presented within the context of the air freight industry. Some research needs are identified and recommended for further research. The benefits, limitations, pitfalls, and problems usually associated with large scale systems models are examined.

Dajani, J. S.↗
NASA NTRS1981

Quasi-Langrangian models of nascent thermals

The motions in and around an isolated thermal were studied and rising motion in the core, and sinking motion on the outside were found; while the circulation resembled that of a vortex ring. In an entity cloud model, cloudy thermal is tracked, in a Lagrangian fashion, as a discrete entity; the field of motion in and around the thermal is not explicitly simulated. Field of motion cloud models, in which the equations of motion are numerically integrated on an Eulerian grid were developed. It is shown that the great potential of a hybrid cloud model can combine the simplicity of the entity models with the generality and flexibility of the field-of-motion models. A key problem to be overcome in the development of a hybrid model is the formulation of a mathematical framework within which the cloud dynamics can be represented.

Rambaldi, S.↗
NASA NTRS1987

A modular BLSS simulation model

A bioregenerative life support system (BLSS) for extraterrestrial use will be faced with coordination problems more acute than those in any ecosystem found on Earth. A related problem in BLSS design is providing an interface between the various life support processors, one that will allow for their coordination while still allowing for system expansion. A modular model is presented of a BLSS that interfaces system processors only with the material storage reservoirs, allowing those reservoirs to act as the principal buffers in the system and thus minimizing difficulties with processor coordination. The modular nature of the model allows independent development of the detailed submodels that exist within the model framework. Using this model, BLSS dynamics were investigated under normal conditions and under various failure modes. Partial and complete failures of various components, such as the waste processors or the plants themselves, drive transient responses in the model system, allowing the examination of the effectiveness of the system reservoirs as buffers. The results from simulations help to determine control strategies and BLSS design requirements. An evolved version could be used as an interactive control aid in a future BLSS.

Rummel, John D.↗
NASA NTRS1987

A modular BLSS simulation model

The coordination of material flows in earth's biosphere is largely made possible by the buffering effect of huge material reservoirs. Without similarly-sized buffers, a bioregenerative life support system (BLSS) for extraterrestrial use will be faced with coordination problems more acute than those in any ecosystem found on earth. A related problem in BLSS design is providing an interface between the various life-support processors, one that will allow for their coordination while still allowing for system expansion. A modular model is presented of a BLSS that interfaces system processors only with the material storage reservoirs, allowing those reservoirs to act as the principal buffers in the system and thus minimizing difficulties with processor coordination. The modular nature of the model allows independent development of the detailed submodels that exist within the model framework. Using this model, BLSS dynamics were investigated under normal conditions and under various failure modes. Partial and complete failures of various components, such as the waste processor or the plants themselves, drive transient responses in the model system, allowing examination of the effectiveness of the system reservoirs as buffers. The results from simulations of this sort will help to determine control strategies and BLSS design requirements. An evolved version of this model could be used as an interactive control aid in a future BLSS.

Rummel, John D.↗
NASA NTRS1988

Storage management in Ada. Three reports. Volume 1: Storage management in Ada as a risk to the development of reliable software. Volume 2: Relevant aspects of language. Volume 3: Requirements of the language versus manifestations of current implementations

The risk to the development of program reliability is derived from the use of a new language and from the potential use of new storage management techniques. With Ada and associated support software, there is a lack of established guidelines and procedures, drawn from experience and common usage, which assume reliable behavior. The risk is identified and clarified. In order to provide a framework for future consideration of dynamic storage management on Ada, a description of the relevant aspects of the language is presented in two sections: Program data sources, and declaration and allocation in Ada. Storage-management characteristics of the Ada language and storage-management characteristics of Ada implementations are differentiated. Terms that are used are defined in a narrow and precise sense. The storage-management implications of the Ada language are described. The storage-management options available to the Ada implementor and the implications of the implementor's choice for the Ada programmer are also described.

Auty, David↗
NASA NTRS1992

Entropic uncertainty relation at finite temperature

We discussed how much information is lost when a particle is in equilibrium with the thermal reservoir of temperature T = 1/beta. The universal temperature correction to the r.h.s. of U(X,P:psi) greater than or = 1 + ln(pi) is determined. For this purpose, it is convenient to employ the framework of thermo-field dynamics (TFD). This formulation of finite-temperature (T not = 0) quantum theory utilizes the doubled Hilbert space, the normal operator (A) acting on the objective space, and its corresponding tildian operator on the fictitious space. The physical probability density associated with the measurement of the normal operator, A, is given, and the information entropy at T not = 0 is defined. The results describe how the thermal disturbance effects in S sub X or S sub P (delta X or delta P) can be suppressed by squeezing with keeping U = S sub X + S sub P (delta X x delta P) its minimum value.

Abe, Sumiyoshi↗
NASA NTRS1993

On positivity preserving finite volume schemes for compressible Euler equations

Positivity preserving property of first and higher order finite volume schemes for one and two dimensional compressible Euler equations of gas dynamics is considered. A general framework is established which shows the positivity of density and pressure whenever the underlying one dimensional first order building block based on exact or approximate Riemann solver and the reconstruction are both positivity preserving. Appropriate limitation to achieve high order positivity preserving reconstruction is described.

Perthame, Benoit↗
NASA NTRS1993

LOX droplet vaporization in a supercritical forced convective environment

Modern liquid rocket engines often use liquid oxygen (LOX) and liquid hydrogen (LH2) as propellants to achieve high performance, with the engine operational conditions in the supercritical regimes of the propellants. Once the propellant exceeds its critical state, it essentially becomes a puff of dense fluid. The entire field becomes a continuous medium, and no distinct interfacial boundary between the liquid and gas exists. Although several studies have been undertaken to investigate the supercritical droplet behavior at quiescent conditions, very little effort has been made to address the fundamental mechanisms associated with LOX droplet vaporization in a supercritical, forced convective environment. The purpose is to establish a theoretical framework within which supercritical droplet dynamics and vaporization can be studied systematically by means of an efficient and robust numerical algorithm.

Hsiao, Chia-Chun↗
NASA NTRS1996

Practical Aspects of Krylov Subspace Iterative Methods in CFD

Implementation issues associated with the application of Krylov subspace iterative methods, such as Newton-GMRES, are presented within the framework of practical computational fluid dynamic (CFD) applications. This paper categorizes, evaluates, and contrasts the major ingredients (function evaluations, matrix-vector products, and preconditioners) of Newton-GMRES Krylov subspace methods in terms of their effect on the local linear and global nonlinear convergence, memory requirements, and accuracy. The discussion focuses on Newton-GMRES in both a structured multi-zone incompressible Navier-Stokes solver and an unstructured mesh finite-volume Navier-Stokes solver. Approximate versus exact matrix-vector products, effective preconditioners, and other pertinent issues are addressed.

Pulliam, Thomas H.↗
NASA NTRS2001

NASA Exhibits

A series of NASA presentations for the Supercomputing 2001 conference are summarized. The topics include: (1) Mars Surveyor Landing Sites "Collaboratory"; (2) Parallel and Distributed CFD for Unsteady Flows with Moving Overset Grids; (3) IP Multicast for Seamless Support of Remote Science; (4) Consolidated Supercomputing Management Office; (5) Growler: A Component-Based Framework for Distributed/Collaborative Scientific Visualization and Computational Steering; (6) Data Mining on the Information Power Grid (IPG); (7) Debugging on the IPG; (8) Debakey Heart Assist Device: (9) Unsteady Turbopump for Reusable Launch Vehicle; (10) Exploratory Computing Environments Component Framework; (11) OVERSET Computational Fluid Dynamics Tools; (12) Control and Observation in Distributed Environments; (13) Multi-Level Parallelism Scaling on NASA's Origin 1024 CPU System; (14) Computing, Information, & Communications Technology; (15) NAS Grid Benchmarks; (16) IPG: A Large-Scale Distributed Computing and Data Management System; and (17) ILab: Parameter Study Creation and Submission on the IPG.

Deardorff, Glenn↗
NASA NTRS2002

The Design of Collectives of Agents to Control Non-Markovian Systems

The 'Collective Intelligence' (COIN) framework concerns the design of collectives of reinforcement-learning agents such that their interaction causes a provided 'world' utility function concerning the entire collective to be maximized. Previously, we applied that framework to scenarios involving Markovian dynamics where no re-evolution of the system from counter-factual initial conditions (an often expensive calculation) is permitted. This approach sets the individual utility function of each agent to be both aligned with the world utility, and at the same time, easy for the associated agents to optimize. Here we extend that approach to systems involving non-Markovian dynamics. In computer simulations, we compare our techniques with each other and with conventional-'team games'. We show whereas in team games performance often degrades badly with time, it steadily improves when our techniques are used. We also investigate situations where the system's dimensionality is effectively reduced. We show that this leads to difficulties in the agents' ability to learn. The implication is that 'learning' is a property only of high-enough dimensional systems.

Lawson, John W.↗
NASA NTRS2000

Applying Reflective Middleware Techniques to Optimize a QoS-enabled CORBA Component Model Implementation

Although existing CORBA specifications, such as Real-time CORBA and CORBA Messaging, address many end-to-end quality-of-service (QoS) properties, they do not define strategies for configuring these properties into applications flexibly, transparently, and adaptively. Therefore, application developers must make these configuration decisions manually and explicitly, which is tedious, error-prone, and often sub-optimal. Although the recently adopted CORBA Component Model (CCM) does define a standard configuration frame-work for packaging and deploying software components, conventional CCM implementations focus on functionality rather than adaptive quality-of service, which makes them unsuitable for next-generation applications with demanding QoS requirements. This paper presents three contributions to the study of middleware for QoS-enabled component-based applications. It outlines reflective middleware techniques designed to adaptively: (1) select optimal communication mechanisms, (2) man- age QoS properties of CORBA components in their containers, and (3) (re)configure selected component executors dynamically. Based on our ongoing research on CORBA and the CCM, we believe the application of reflective techniques to component middleware will provide a dynamically adaptive and (re)configurable framework for COTS software that is well-suited for the QoS demands of next-generation applications.

Wang, Nanbor↗
NASA NTRS2004

The Design of Collectives of Agents to Control Non-Markovian Systems

The Collective Intelligence (COIN) framework concerns the design of collectives of reinforcement-learning agents such that their interaction causes a provided "world" utility function concerning the entire collective to be maximized. Previously, we applied that framework to scenarios involving Markovian dynamics where no re-evolution of the system from counter-factual initial conditions (an often expensive calculation) is permitted. This approach sets the individual utility function of each agent to be both aligned with the world utility, and at the same time, easy for the associated agents to optimize. Here we extend that approach to systems involving non-Markovian dynamics. In computer simulations, we compare our techniques with each other and with conventional "team games". We show whereas in team games performance often degrades badly with time, it steadily improves when our techniques are used. We also investigate situations where the system's dimensionality is effectively reduced. We show that this leads to difficulties in the agents ability to learn. The implication is that learning is a property only of high-enough dimensional systems.

Lawson, John W.↗
NASA NTRS2008

Sensor-Web Operations Explorer

Understanding the atmospheric state and its impact on air quality requires observations of trace gases, aerosols, clouds, and physical parameters across temporal and spatial scales that range from minutes to days and from meters to more than 10,000 kilometers. Observations include continuous local monitoring for particle formation; field campaigns for emissions, local transport, and chemistry; and periodic global measurements for continental transport and chemistry. Understanding includes global data assimilation framework capable of hierarchical coupling, dynamic integration of chemical data and atmospheric models, and feedback loops between models and observations. The objective of the sensor-web system is to observe trace gases, aerosols, clouds, and physical parameters, an integrated observation infrastructure composed of space-borne, air-borne, and in-situ sensors will be simulated based on their measurement physics properties. The objective of the sensor-web operation is to optimally plan for heterogeneous multiple sensors, the sampling strategies will be explored and science impact will be analyzed based on comprehensive modeling of atmospheric phenomena including convection, transport, and chemical process. Topics include system architecture, software architecture, hardware architecture, process flow, technology infusion, challenges, and future direction.

observation↗
NASA NTRS2011

Space Shuttle Systems Engineering Processes for Liftoff Debris Risk Mitigation

This slide presentation reviews the systems engineering process designed to reduce the risk from debris during Space Shuttle Launching. This process begins the day of launch from the tanking to the vehicle tower clearance. Other debris risks (i.e., Ascent, and micrometeoroid orbital debit) are mentioned) but are not the subject of this presentation. The Liftoff debris systems engineering process and an example of how it works are reviewed (i.e.,STS-119 revealed a bolt liberation trend on the Fixed Service Structure (FSS) 275 level elevator room). The process includes preparation of a Certification of Flight Readiness (CoFR) that includes (1) Lift-off debris from previous mission dispositioned, (2) Flight acceptance rationale has been provided for Lift-off debris sources/causes (3) Lift-off debris mission support documentation, processes and tools are in place for the up-coming mission. The process includes a liftoff debris data collection that occurs after each launch. This includes a post launch walkdown, that records each liftoff debris, and the entry of the debris into a database, it also includes a review of the imagery from the launch, and a review of the instrumentation data. There is also a review of the debris transport analysis process, that includes temporal and spatial framework and a computational fluid dynamics (CFD) analysis. which incorporates a debris transport analyses (DTA), debris materials and impact tests, and impact analyses.

Mitchell, Michael↗