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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Critical behavior in a chiral molecular model

Understanding the condensed-phase behavior of chiral molecules is important in biology as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a chiral four-site molecular model that exhibits a second-order symmetry-breaking phase transition from a supercritical racemic liquid into subcritical D-rich and L-rich liquids. We determine the infinite-size critical temperature using the fourth-order Binder cumulant, and we show that the finite-size scaling behavior of the order parameter is compatible with the 3D Ising universality class. We also study the spontaneous D-rich to L-rich transition at a slightly subcritical temperature of T = 0.985Tc, and our findings indicate that the free energy barrier for this transformation increases with system size as N2/3, where N is the number of molecules, consistent with a surface-dominated phenomenon. The critical behavior observed herein suggests a mechanism for chirality selection in which a liquid of chiral molecules spontaneously forms a phase enriched in one of the two enantiomers as the temperature is lowered below the critical point. Furthermore, the increasing free energy barrier with system size indicates that fluctuations between the L-rich and D-rich phases are suppressed as the size of the system increases, trapping it in one of the two enantiomerically enriched phases. Such a process could provide the basis for an alternative explanation for the origin of biological homochirality. We also conjecture the possibility of observing nucleation at subcritical temperatures under the action of a suitable chiral external field.

Chemistry↗
NASA NTRS1994

Evolution of solitary density waves in stellar winds of early-type stars: A simple explanation of discrete absorption component behavior

We model the evolution of a density shell propagating through the stellar wind of an early-type star, in order to investigate the effects of such shells on UV P Cygni line profiles. Unlike previous treatments, we solve the mass, momentum, and energy conservation equations, using an explicit time-differencing scheme, and present a parametric study of the density, velocity, and temperature response. Under the assumed conditions, relatively large spatial scale, large-amplitude density shells propagate as stable waves through the supersonic portion of the wind. Their dynamical behavior appears to mimic propagating 'solitary waves,' and they are found to accelerate at the same rate as the underlying steady state stellar wind (i.e., the shell rides the wind). These hydrodynamically stable structures quantitatively reproduce the anomalous 'discrete absorption component' (DAC) behavior observed in the winds of luminous early-type stars, as illustrated by comparisons of model predictions to an extensive International Ultraviolet Explorer (IUE) time series of spectra of zeta Puppis (O4f). From these comparisons, we find no conclusive evidence indicative of DACs accelerating at a significantly slower rate than the underlying stellar wind, contrary to earlier reports. In addition, these density shells are found to be consistent within the constraints set by the IR observations. We conclude that the concept of propagating density shells should be seriously reconsidered as a possible explanation of the DAC phenomenon in early-type stars.

Waldron, Wayne L.↗
NASA NTRS2015

Ontology and modeling patterns for state-based behavior representation

This paper provides an approach to capture state-based behavior of elements, that is, the specification of their state evolution in time, and the interactions amongst them. Elements can be components (e.g., sensors, actuators) or environments, and are characterized by state variables that vary with time. The behaviors of these elements, as well as interactions among them are represented through constraints on state variables. This paper discusses the concepts and relationships introduced in this behavior ontology, and the modeling patterns associated with it. Two example cases are provided to illustrate their usage, as well as to demonstrate the flexibility and scalability of the behavior ontology: a simple flashlight electrical model and a more complex spacecraft model involving instruments, power and data behaviors. Finally, an implementation in a SysML profile is provided.

state variable↗
NASA NTRS1990

On near-wall turbulent flow modelling

The behavior of various terms in the Reynolds-stress transport equations is evaluated in view results of near-wall turbulence characterizations which show that all components of the velocity-pressure gradient correlation vanish at the wall. A methodology for deriving an asymptotically correct model of the velocity-pressure gradient correlation is proposed, and a model capable of approaching the high-Reynolds number model for pressure distribution far from the wall is derived. A parametric study of the model constants introduced by the near-wall closure reveals that one constant in the dissipation-rate equation is Reynolds number-dependent; with this modification, excellent agreement is obtained with measured and simulated near-wall turbulence statistics.

Lai, Y. G.↗
NASA NTRS1992

A near-wall two-equation model for turbulent heat fluxes

A near-wall two-equation model for turbulent heat fluxes is derived from the temperature variance and its dissipation-rate equations and the assumption of gradient transport. Only incompressible flows with non-buoyant heat transfer are considered. The near-wall asymptotics of each term in the exact equations are examined and used to derive near-wall correction functions that render the modeled equations consistent with these behavior. Thus modeled, the equations are used to calculate fully-developed pipe and channel flows with heat transfer. It is found that the proposed two-equation model yields asymptotically correct near-wall behavior for the normal heat flux, the temperature variance and its near-wall budget and correct limiting wall values for these properties compared to direct simulation data and measurements obtained under different wall boundary conditions.

Sommer, T. P.↗
NASA NTRS1992

Event-driven simulation in SELMON: An overview of EDSE

EDSE (event-driven simulation engine), a model-based event-driven simulator implemented for SELMON, a tool for sensor selection and anomaly detection in real-time monitoring is described. The simulator is used in conjunction with a causal model to predict future behavior of the model from observed data. The behavior of the causal model is interpreted as equivalent to the behavior of the physical system being modeled. An overview of the functionality of the simulator and the model-based event-driven simulation paradigm on which it is based is provided. Included are high-level descriptions of the following key properties: event consumption and event creation, iterative simulation, synchronization and filtering of monitoring data from the physical system. Finally, how EDSE stands with respect to the relevant open issues of discrete-event and model-based simulation is discussed.

Rouquette, Nicolas F.↗
DOE OSTI2026

Influence of Numerical Modeling Approaches on Damped Behavior of Flexible Beams: Preprint

Composites structures are widely used in aerospace and wind energy applications for their excellent stiffness and strength-to-weight properties. In these structures, structural damping is critical to predict vibration amplitudes, performance, and reliability. Structural damping is of particular interest for slender wings, rotorcraft blades, and wind turbine blades that can exhibit complex vibration phenomena and are frequently modeled with geometrically exact beam theory (GEBT). Standard approaches of stiffness proportional or modal damping merely assign user defined values and cannot predict damping behavior. This work compares stiffness proportional damping to two more advanced damping approaches: modal strain energy and Prony series. The modal strain energy approach uses a sectional analysis tool to calculate the beam stiffness and postprocess internal stresses from GEBT simulations. The internal stresses are then used to calculate modal damping factors. The Prony series is implemented within GEBT to directly model viscoelastic behavior of the composites. These approaches are compared by modeling the evolution of the damping factors of a realistic flexible wind turbine blade with varying rotational speed. Discrepancies between the approaches suggest areas for future modeling development, but differences in nonlinear damping values are less than current uncertainties about the magnitude of structural damping.

17 WIND ENERGY↗
NASA NTRS2014

Agent Based Modeling of Air Carrier Behavior for Evaluation of Technology Equipage and Adoption

As part of ongoing research, the National Aeronautics and Space Administration (NASA) and LMI developed a research framework to assist policymakers in identifying impacts on the U.S. air transportation system (ATS) of potential policies and technology related to the implementation of the Next Generation Air Transportation System (NextGen). This framework, called the Air Transportation System Evolutionary Simulation (ATS-EVOS), integrates multiple models into a single process flow to best simulate responses by U.S. commercial airlines and other ATS stakeholders to NextGen-related policies, and in turn, how those responses impact the ATS. Development of this framework required NASA and LMI to create an agent-based model of airline and passenger behavior. This Airline Evolutionary Simulation (AIRLINE-EVOS) models airline decisions about tactical airfare and schedule adjustments, and strategic decisions related to fleet assignments, market prices, and equipage. AIRLINE-EVOS models its own heterogeneous population of passenger agents that interact with airlines; this interaction allows the model to simulate the cycle of action-reaction as airlines compete with each other and engage passengers. We validated a baseline configuration of AIRLINE-EVOS against Airline Origin and Destination Survey (DB1B) data and subject matter expert opinion, and we verified the ATS-EVOS framework and agent behavior logic through scenario-based experiments. These experiments demonstrated AIRLINE-EVOS's capabilities in responding to an input price shock in fuel prices, and to equipage challenges in a series of analyses based on potential incentive policies for best equipped best served, optimal-wind routing, and traffic management initiative exemption concepts..

Horio, Brant M.↗
DOE OSTI2021

From calibration to parameter learning: Harnessing the scaling effects of big data in geoscientific modeling

Abstract The behaviors and skills of models in many geosciences (e.g., hydrology and ecosystem sciences) strongly depend on spatially-varying parameters that need calibration. A well-calibrated model can reasonably propagate information from observations to unobserved variables via model physics, but traditional calibration is highly inefficient and results in non-unique solutions. Here we propose a novel differentiable parameter learning (dPL) framework that efficiently learns a global mapping between inputs (and optionally responses) and parameters. Crucially, dPL exhibits beneficial scaling curves not previously demonstrated to geoscientists: as training data increases, dPL achieves better performance, more physical coherence, and better generalizability (across space and uncalibrated variables), all with orders-of-magnitude lower computational cost. We demonstrate examples that learned from soil moisture and streamflow, where dPL drastically outperformed existing evolutionary and regionalization methods, or required only ~12.5% of the training data to achieve similar performance. The generic scheme promotes the integration of deep learning and process-based models, without mandating reimplementation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

Temperature and flow measurements on near-freezing aviation fuels in a wing-tank model

Freezing behavior, pumpability, and temperature profiles for aviation turbine fuels were measured in a 190-liter tank chilled to simulate internal temperature gradients encountered in commercial airplane wing tanks. When the bulk of the fuel was above the specification freezing point, pumpout of the fuel removed all fuel except a layer adhering to the bottom chilled surfaces, and the unpumpable fraction depended on the fuel temperature near these surfaces. When the bulk of the fuel was at or below the freezing point, pumpout ceased when solids blocked the pump inlet, and the unpumpable fraction depended on the overall average temperature.

Friedman, R.↗
NASA NTRS1980

Temperature and flow measurements on near-freezing aviation fuels in a wing-tank model

Freezing behavior, pumpability, and temperature profiles for aviation turbine fuels were measured in a 190-liter tank, to simulate internal temperature gradients encountered in commercial airplane wing tanks. Two low-temperature situations were observed. Where the bulk of the fuel is above the specification freezing point, pumpout of the fuel removes all fuel except a layer adhering to the bottom chilled surfaces, and the unpumpable fraction depends on the fuel temperature near these surfaces. Where the bulk of the fuel is at or below the freezing point, pumpout ceases when solids block the pump inlet, and the unpumpable fraction depends on the overall average temperature.

Friedman, R.↗
NASA NTRS2006

A Micromechanics Finite Element Model for Studying the Mechanical Behavior of Spray-On Foam Insulation (SOFI)

A micromechanics model has been constructed to study the mechanical behavior of spray-on foam insulation (SOFI) for the external tank. The model was constructed using finite elements representing the fundamental repeating unit of the SOFI microstructure. The details of the micromechanics model were based on cell observations and measured average cell dimensions discerned from photomicrographs. The unit cell model is an elongated Kelvin model (fourteen-sided polyhedron with 8 hexagonal and six quadrilateral faces), which will pack to a 100% density. The cell faces and cell edges are modeled using three-dimensional 20-node brick elements. Only one-eighth of the cell is modeled due to symmetry. By exercising the model and correlating the results with the macro-mechanical foam behavior obtained through material characterization testing, the intrinsic stiffness and Poisson s Ratio of the polymeric cell walls and edges are determined as a function of temperature. The model is then exercised to study the unique and complex temperature-dependent mechanical behavior as well as the fracture initiation and propagation at the microscopic unit cell level.

Ghosn, Louis J.↗
NASA NTRS1988

Multiprocessor speed-up, Amdahl's Law, and the Activity Set Model of parallel program behavior

An important issue in the effective use of parallel processing is the estimation of the speed-up one may expect as a function of the number of processors used. Amdahl's Law has traditionally provided a guideline to this issue, although it appears excessively pessimistic in the light of recent experimental results. In this note, Amdahl's Law is amended by giving a greater importance to the capacity of a program to make effective use of parallel processing, but also recognizing the fact that imbalance of the workload of each processor is bound to occur. An activity set model of parallel program behavior is then introduced along with the corresponding parallelism index of a program, leading to upper and lower bounds to the speed-up.

Gelenbe, Erol↗
DOE OSTI2022

Vickers hardness prediction from machine learning methods

Abstract The search for new superhard materials is of great interest for extreme industrial applications. However, the theoretical prediction of hardness is still a challenge for the scientific community, given the difficulty of modeling plastic behavior of solids. Different hardness models have been proposed over the years. Still, they are either too complicated to use, inaccurate when extrapolating to a wide variety of solids or require coding knowledge. In this investigation, we built a successful machine learning model that implements Gradient Boosting Regressor (GBR) to predict hardness and uses the mechanical properties of a solid (bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio) as input variables. The model was trained with an experimental Vickers hardness database of 143 materials, assuring various kinds of compounds. The input properties were calculated from the theoretical elastic tensor. The Materials Project’s database was explored to search for new superhard materials, and our results are in good agreement with the experimental data available. Other alternative models to compute hardness from mechanical properties are also discussed in this work. Our results are available in a free-access easy to use online application to be further used in future studies of new materials at www.hardnesscalculator.com .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Finite Element Modeling of Extravehicular Mobility Units for Use With Human Body Models – Motivation, Major Challenges, Use Cases and Preliminary Work

Finite element modeling of pressurized spacesuits and implementation with human body models offers many advantages over physical experimentation, but also presents significant challenges. A model of pressurized spacesuit softgoods was developed, integrated with an existing hardgoods model, and fitted to a human body model. Two representative loading scenarios were simulated: dynamic external suit loading and internal occupant-driven loading, to serve as proof-of-concept for the modeling techniques employed. The modeled interactions behaved as intended and illustrate that finite element models of pressurized spacesuits can be used in conjunction with human body models to assess the biomechanical behavior. Further model development and experimental validation are needed.

Finite Element↗
NASA NTRS2024

Finite Element Modeling of Extravehicular Mobility Units for Use With Human Body Models – Motivation, Major Challenges, Use Cases and Preliminary Work

Finite element modeling of pressurized spacesuits and implementation with human body models offers many advantages over physical experimentation, but also presents significant challenges. A model of pressurized spacesuit softgoods was developed, integrated with an existing hardgoods model, and fitted to a human body model. Two representative loading scenarios were simulated: dynamic external suit loading and internal occupant-driven loading, to serve as proof-of-concept for the modeling techniques employed. The modeled interactions behaved as intended and illustrate that finite element models of pressurized spacesuits can be used in conjunction with human body models to assess the biomechanical behavior. Further model development and experimental validation are needed.

Finite Element↗