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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 451 records · Page 25

Processors, Pipelines, and Protocols for Advanced Modeling Networks

Predictive capabilities arise from our understanding of natural processes and our ability to construct models that accurately reproduce these processes. Although our modeling state-of-the-art is primarily limited by existing computational capabilities, other technical areas will soon present obstacles to the development and deployment of future predictive capabilities. Advancement of our modeling capabilities will require not only faster processors, but new processing algorithms, high-speed data pipelines, and a common software engineering framework that allows networking of diverse models that represent the many components of Earth's climate and weather system. Development and integration of these new capabilities will pose serious challenges to the Information Systems (IS) technology community. Designers of future IS infrastructures must deal with issues that include performance, reliability, interoperability, portability of data and software, and ultimately, the full integration of various ES model systems into a unified ES modeling network.

Coughlan, Joseph↗

A constitutive model with damage for high temperature superalloys

A unified constitutive model is searched for that is applicable for high temperature superalloys used in modern gas turbines. Two unified inelastic state variable constitutive models were evaluated for use with the damage parameter proposed by Kachanov. The first is a model (Bodner, Partom) in which hardening is modeled through the use of a single state variable that is similar to drag stress. The other (Ramaswamy) employs both a drag stress and back stress. The extension was successful for predicting the tensile, creep, fatigue, torsional and nonproportional response of Rene' 80 at several temperatures. In both formulations, a cumulative damage parameter is introduced to model the changes in material properties due to the formation of microcracks and microvoids that ultimately produce a macroscopic crack. A back stress/drag stress/damage model was evaluated for Rene' 95 at 1200 F and is shown to predict the tensile, creep, and cyclic loading responses reasonably well.

Sherwood, J. A.↗

Grey-box modeling and application for building energy simulations - A critical review

Grey-box modeling, as one of the three fundamental modeling techniques for building energy models, has many advantages compared with black-box modeling and white-box modeling. Additionally, it has been widely applied to solve problems of building technologies, such as building load estimation, control and optimization, and building-grid integration. However, a thorough review of grey-box modeling is not available. This review study systematically investigated various aspects of grey-box modeling for buildings. First, the fundamental aspects of grey-box modeling are presented, including the theoretical background, modeling of building elements, modeling order, modeling diagram, and order reduction. Second, the detailed modeling approaches are discussed. Third, multiple applications of grey-box modeling are investigated for building energy domain, which are categorized into the following groups: heat dynamics analysis, thermal load estimation, building control and optimization, district/urban scale energy modeling, and building-grid integration. Finally, the available software packages for grey-box modeling are compared. Overall, the challenges of using grey-box modeling can be summarized as follows: (1) the theoretical limitations and assumptions of grey-box modeling are unclear; (2) grey-box model naming convention and structure are confusing; (3) grey-box model creation is vague; (4) suitable applications of grey-box models are unknown; and (5) grey-box models lack unified software solutions for wider adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A unified non-equilibrium phase change model for injection flow modeling

The homogenous relaxation model (HRM) is one of the most widely used models to describe the liquid- gas phase transition. However, in its original formulation, it is unable to handle multispecies vapor-liquid equilibrium (VLE), which limits its applicability to single-component fluids. In this work, a unified non-equilibrium phase change model that considers the VLE of multicomponent mixtures is proposed building upon the HRM's structure. A time factor is introduced to mimic the effect of different phase change timescales due to different mechanisms, e.g., cavitation, flash-boiling, and evaporation. Here to assess the model's performance, computational fluid dynamics simulations of the internal and near-nozzle injection flow of the Engine Combustion Network's Spray G injector were performed using the nine-component PACE-20 fuel with both the unified model and the original HRM. The predicted fuel density in the near-nozzle region matched well with X-ray tomography measurements. The simulation results indicated that, whereas the HRM failed to capture the vaporization due to convective mixing between the fuel and ambient gas, the unified model performed well in predicting the mixing-driven vaporization and the corresponding evaporative cooling. Further comparisons using the nine-component fuel formula and a single-component fuel surrogate demonstrated the unified model's ability to predict preferential vaporization, which affects the predictions of local mixture composition and rate of vaporization. Finally, it is shown that the unified model is capable of representing multiple phase change mechanisms, and the relaxation time factor plays an important role in determining the degree of phase change due to the different mechanisms.

33 ADVANCED PROPULSION SYSTEMS↗

Unified Performance and Power Modeling of Scientific Workloads

It is expected that scientific applications executing on future large-scale HPC must be optimized not only in terms of performance, but also in terms of power consumption. As power and energy become increasingly constrained resources, researchers and developers must have access to tools that will allow for accurate prediction of both performance and power consumption. Reasoning about performance and power consumption in concert will be critical for achieving maximum utilization of limited resources on future HPC systems. To this end, we present a unified performance and power model for the Nek-Bone mini-application developed as part of the DOE's CESAR Exascale Co-Design Center. Our models consider the impact of computation, point-to-point communication, and collective communication

Modeling techniques↗

A Unified Multi-Scale Model for Pore-Scale Flow Simulations in Soils

Pore-scale simulations have received increasing interest in subsurface sciences to provide mechanistic insights into the macroscopic phenomena of water flow and reactive transport processes. The application of the pore scale simulations to soils and sediments is, however, challenged because of the characterization limitation that often only allows partial resolution of pore structure and geometry. A significant proportion of the pore space in soils and sediments is below the spatial resolution, forming a mixed media of pore and porous domains. Here we reported a unified multi-scale model (UMSM) that can be used to simulate water flow and transport in mixed media of pore and porous domains under both saturated and unsaturated conditions. The approach modifies the classic Navier-Stokes equation by adding a Darcy term to describe fluid momentum and uses a generalized mass balance equation for saturated and unsaturated conditions. By properly defining physical parameters, the UMSM can be applied in both pore and porous domains. This paper describes the set of equations for the UMSM, a series of validation cases under saturated or unsaturated conditions, and a real soil case for the application of the approach.

computational fluid dynamics↗

A TWO-TEMPERATURE MODEL OF MAGNETIZED PROTOSTELLAR OUTFLOWS

We explore kinematics and morphologies of molecular outflows driven by young protostars using magnetohydrodynamic simulations in the context of the unified wind model of Shang et al. The model explains the observed high-velocity jet and low-velocity shell features. In this work we investigate how these characteristics are affected by the underlying temperature and magnetic field strength. We study the problem of a warm wind running into a cold ambient toroid by using a tracer field that keeps track of the wind material. While an isothermal equation of state is adopted, the effective temperature is determined locally based on the wind mass fraction. In the unified wind model, the density of the wind is cylindrically stratified and highly concentrated toward the outflow axis. Our simulations show that for a sufficiently magnetized wind, the jet identity can be well maintained even at high temperatures. However, for a high temperature wind with low magnetization, the thermal pressure of the wind gas can drive material away from the axis, making the jet less collimated as it propagates. We also study the role of the poloidal magnetic field of the toroid. It is shown that the wind-ambient interface becomes more resistant to corrugation when the poloidal field is present, and the poloidal field that bunches up within the toroid prevents the swept-up material from being compressed into a thin layer. This suggests that the ambient poloidal field may play a role in producing a smoother and thicker swept-up shell structure in the molecular outflow.

79 ASTRONOMY AND ASTROPHYSICS↗

Unified Dark Matter scalar field models with fast transition

We investigate the general properties of Unified Dark Matter (UDM) scalar field models with Lagrangians with a non-canonical kinetic term, looking specifically for models that can produce a fast transition between an early Einstein-de Sitter CDM-like era and a later Dark Energy like phase, similarly to the barotropic fluid UDM models in JCAP01(2010)014. However, while the background evolution can be very similar in the two cases, the perturbations are naturally adiabatic in fluid models, while in the scalar field case they are necessarily non-adiabatic. The new approach to building UDM Lagrangians proposed here allows to escape the common problem of the fine-tuning of the parameters which plague many UDM models. We analyse the properties of perturbations in our model, focusing on the the evolution of the effective speed of sound and that of the Jeans length. With this insight, we can set theoretical constraints on the parameters of the model, predicting sufficient conditions for the model to be viable. An interesting feature of our models is that what can be interpreted as w{sub DE} can be < −1 without violating the null energy conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental and Computational Interrogation of Fast SCR Mechanism and Active Sites on H-Form SSZ-13

Experiment and density functional theory (DFT) models are combined to develop a unified, quantitative model of the mechanism and kinetics of fast selective catalytic reduction (SCR) of NO/NO2 mixtures over H-SSZ-13 zeolite. Rates, rate orders, and apparent activation energies collected under differential conditions reveal two distinct kinetic regimes. First-principles thermodynamics simulations are used to determine the relative coverages of free Brønsted sites, chemisorbed NH4+ and physisorbed NH3 as a function of reaction conditions. First-principles metadynamics calculations show that all three sites can contribute to the rate-limiting N-N bond forming step in fast SCR. The results are used to parameterize a kinetic model that encompasses the full range of reaction conditions and recovers observed rate orders and apparent activation energies. Observed kinetic regimes are related to changes in most-abundant surface intermediates. Financial support was provided by the National Science Foundation GAOLI program under award number 1258690-CBET. We thank the Center for Research Computing at Notre

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theory and measurement of plasmonic terahertz detector response to large signals

Electron gas in the conduction channel of a Field Effect Transistor (FET) can support collective plasma oscillations tunable by the gate voltage. In the Dyakonov-Shur terahertz (THz) detector, nonlinearities in the plasma wave propagation in the gated channel of a FET lead to a constant source-to-drain voltage providing the detector output. We present the detector theory in the frame of the hydrodynamic model using the electron plasma Navier-Stokes and thermal transport equations, thus fully accounting for the hydrodynamic non-linearity, the viscosity, and pressure gradients in the detector response. Both resonant and broadband operations of the high electron mobility transistor (HEMT) based plasmonic detectors are described by this model. The relation between the electron channel density and gate voltage was modeled by the unified charge control model applicable both above and below the threshold voltage. The theoretical results are compared with the response measured in the short channel InGaAs HEMT and the analytical approximation. The THz source was operating at 1.63 THz, and the response was measured at varying signal intensities. The response of the detector operated in the open drain mode was measured above and below the threshold, and the theoretical and experimental results are shown to be in good agreement.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

In the Face of Cybersecurity: How the Common Information Model Can Be Used

Efforts are underway to combine smart grid information, devices, networking, and emergency response information to create messages that are not dependent on specific standards development organizations (SDOs). This supports a future-proof approach of allowing changes in the canonical data models (CDMs) going forward without having to perform forklift replacements of solutions that use the messages. This also allows end users (electric utilities) to upgrade individual components of a larger system while keeping the message payload definitions intact. The goal is to enable public and private information sharing securely in a standards-based approach that can be integrated into existing operations. We provide an example architecture that could benefit from this multi-SDO, secure message approach. This article also describes how to improve message security

capability maturity model↗

NASA Earth: Synthetic Spectranomics - Deep Learning of Surface 3-D Geometry, Chemistry, and Hyperspectra to Inform Next-generation Land Models

Machine and deep learning (ML/DL) have transformed our approach to Earth observation and system modeling (EOSM), unifying both in view of ML/DL models as a form of data assimilation (DA). Trained on diverse Earth observation records, detailed physical models, or hybrids of both in physics-informed machine learning, ML/DL may improve upon existing Earth system model (ESM) formulations while creating entirely new classes of models. One important application of deep learning is observation synthesis, allowing ESM developers to prepare for the increased spatial, temporal, and spectral/polar resolution of proposed future observing systems. This may involve the retrospective application of learning algorithms to existing observational records, with or without physical radiative transfer models, to co-inform mission planning and ESM development while providing a degree of data continuity for new missions.

Adam Erickson↗

Discordance of the unified scheme with observed properties of quasars and high-excitation galaxies in the 3CRR sample

We examine the consistency of the unified scheme of Fanaroff-Riley type II radio galaxies and quasars with their observed number and size distributions in the 3CRR sample. We separate the low-excitation galaxies from the high-excitation ones, as the former might not harbor a quasar within and thus may not be partaking in the unified scheme models. In the updated 3CRR sample, at low redshifts (z < 0.5), the relative number and luminosity distributions of high-excitation galaxies and quasars roughly match the expectations from the orientation-based unified scheme model. However, a foreshortening in the observed sizes of quasars, which is a must in the orientation-based model, is not seen with respect to radio galaxies even when the low-excitation galaxies are excluded. This dashes the hope that the unified scheme might still work if one includes only the high-excitation galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

A unified approach to computer analysis and modeling of spacecraft environmental interactions

A new, coordinated, unified approach to the development of spacecraft plasma interaction models is proposed. The objective is to eliminate the unnecessary duplicative work in order to allow researchers to concentrate on the scientific aspects. By streamlining the developmental process, the interchange between theories and experimentalists is enhanced, and the transfer of technology to the spacecraft engineering community is faster. This approach is called the UNIfied Spacecraft Interaction Model (UNISIM). UNISIM is a coordinated system of software, hardware, and specifications. It is a tool for modeling and analyzing spacecraft interactions. It will be used to design experiments, to interpret results of experiments, and to aid in future spacecraft design. It breaks a Spacecraft Ineraction analysis into several modules. Each module will perform an analysis for some physical process, using phenomenology and algorithms which are well documented and have been subject to review. This system and its characteristics are discussed.

Katz, I.↗

A unifying framework for systems modeling, control systems design, and system operation

Current engineering practice in the analysis and design of large-scale multi-disciplinary control systems is typified by some form of decomposition- whether functional or physical or discipline-based-that enables multiple teams to work in parallel and in relative isolation. Too often, the resulting system after integration is an awkward marriage of different control and data mechanisms with poor end-to-end accountability. System of systems engineering, which faces this problem on a large scale, cries out for a unifying framework to guide analysis, design, and operation. This paper describes such a framework based on a state-, model-, and goal-based architecture for semi-autonomous control systems that guides analysis and modeling, shapes control system software design, and directly specifies operational intent. This paper illustrates the key concepts in the context of a large-scale, concurrent, globally distributed system of systems: NASA's proposed Array-based Deep Space Network.

systems modeling↗

A Unified Approach to Model-Based Planning and Execution

Writing autonomous software is complex, requiring the coordination of functionally and technologically diverse software modules. System and mission engineers must rely on specialists familiar with the different software modules to translate requirements into application software. Also, each module often encodes the same requirement in different forms. The results are high costs and reduced reliability due to the difficulty of tracking discrepancies in these encodings. In this paper we describe a unified approach to planning and execution that we believe provides a unified representational and computational framework for an autonomous agent. We identify the four main components whose interplay provides the basis for the agent's autonomous behavior: the domain model, the plan database, the plan running module, and the planner modules. This representational and problem solving approach can be applied at all levels of the architecture of a complex agent, such as Remote Agent. In the rest of the paper we briefly describe the Remote Agent architecture. The new agent architecture proposed here aims at achieving the full Remote Agent functionality. We then give the fundamental ideas behind the new agent architecture and point out some implication of the structure of the architecture, mainly in the area of reactivity and interaction between reactive and deliberative decision making. We conclude with related work and current status.

Muscettola, Nicola↗

Constitutive model development for isotropic materials

The objective is to develop a unified constitutive model for finite-element structural analysis of turbine engine hot section components. This effort constitutes a different approach for nonlinear finite-element computer codes which were heretofore based on classical inelastic methods. A unified constitutive theory will avoid the simplifying assumptions of classical theory and should more accurately represent the behavior of superalloy materials under cyclic loading conditions and high temperature environments. Model development will be directed toward isotropic, cast nickel-base alloys used for aircooled turbine blades and vanes. The contractor will select a base material for model development and an alternate material for verification purposes from a list of three alloys specified by NASA. The candidate alloys represent a cross-section of turbine blade and vane materials of interest to both large and small size engine manufacturers. Material stock for the base and alternate materials will be supplied to the Contractor by the government.

Kaufman, A.↗