Comment on "Study on the liquid-vapor interface of water. I. Simulation results of thermodynamic properties and orientational structure"
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Results for “thermodynamic simulation”
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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Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic System T-MATS
A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.
gas path dynamics↗
Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic System (T-MATS)
A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This presentation describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this presentation is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture.
aerothermodynamics↗
Propulsion System Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS)
A simulation toolbox has been developed for the creation of both steady-state and dynamic thermodynamic software models. This paper describes the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), which combines generic thermodynamic and controls modeling libraries with a numerical iterative solver to create a framework for the development of thermodynamic system simulations, such as gas turbine engines. The objective of this paper is to present an overview of T-MATS, the theory used in the creation of the module sets, and a possible propulsion simulation architecture. A model comparison was conducted by matching steady-state performance results from a T-MATS developed gas turbine simulation to a well-documented steady-state simulation. Transient modeling capabilities are then demonstrated when the steady-state T-MATS model is updated to run dynamically.
aerothermodynamics↗
Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code
This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.
Vesselin I Yamakov↗
Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0
This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.
High performance computing↗
Approach to Integrate Global-Sun Models of Magnetic Flux Emergence and Transport for Space Weather Studies
The Sun lies at the center of space weather and is the source of its variability. The primary input to coronal and solar wind models is the activity of the magnetic field in the solar photosphere. Recent advancements in solar observations and numerical simulations provide a basis for developing physics-based models for the dynamics of the magnetic field from the deep convection zone of the Sun to the corona with the goal of providing robust near real-time boundary conditions at the base of space weather forecast models. The goal is to develop new strategic capabilities that enable characterization and prediction of the magnetic field structure and flow dynamics of the Sun by assimilating data from helioseismology and magnetic field observations into physics-based realistic magnetohydrodynamics (MHD) simulations. The integration of first-principle modeling of solar magnetism and flow dynamics with real-time observational data via advanced data assimilation methods is a new, transformative step in space weather research and prediction. This approach will substantially enhance an existing model of magnetic flux distribution and transport developed by the Air Force Research Lab. The development plan is to use the Space Weather Modeling Framework (SWMF) to develop Coupled Models for Emerging flux Simulations (CMES) that couples three existing models: (1) an MHD formulation with the anelastic approximation to simulate the deep convection zone (FSAM code), (2) an MHD formulation with full compressible Navier-Stokes equations and a detailed description of radiative transfer and thermodynamics to simulate near-surface convection and the photosphere (Stagger code), and (3) an MHD formulation with full, compressible Navier-Stokes equations and an approximate description of radiative transfer and heating to simulate the corona (Module in BATS-R-US). CMES will enable simulations of the emergence of magnetic structures from the deep convection zone to the corona. Finally, a plan will be summarized on the development of a Flux Emergence Prediction Tool (FEPT) in which helioseismology-derived data and vector magnetic maps are assimilated into CMES that couples the dynamics of magnetic flux from the deep interior to the corona.
Mansour, Nagi N.↗
The Impact of Detailed Snow Physics on the Simulation of Snow Cover and Subsurface Thermodynamics at Continental Scales
The three-layer snow model is coupled to the global catchment-based Land Surface Model (LSM) of the NASA Seasonal to Interannual Prediction Project (NSIPP) project, and the combined models are used to simulate the growth and ablation of snow cover over the North American continent for the period 1987-1988. The various snow processes included in the three-layer model, such as snow melting and re-freezing, dynamic changes in snow density, and snow insulating properties, are shown (through a comparison with the corresponding simulation using a much simpler snow model) to lead to an improved simulation of ground thermodynamics on the continental scale.
Stieglitz, Marc↗
KONFIG and REKONFIG: Two interactive preprocessing to the Navy/NASA Engine Program (NNEP)
The NNEP is a computer program that is currently being used to simulate the thermodynamic cycle performance of almost all types of turbine engines by many government, industry, and university personnel. The NNEP uses arrays of input data to set up the engine simulation and component matching method as well as to describe the characteristics of the components. A preprocessing program (KONFIG) is described in which the user at a terminal on a time shared computer can interactively prepare the arrays of data required. It is intended to make it easier for the occasional or new user to operate NNEP. Another preprocessing program (REKONFIG) in which the user can modify the component specifications of a previously configured NNEP dataset is also described. It is intended to aid in preparing data for parametric studies and/or studies of similar engines such a mixed flow turbofans, turboshafts, etc.
Fishbach, L. H.↗
Development of a Twin-Spool Turbofan Engine Simulation Using the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS)
The Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS) is a tool that has been developed to allow a user to build custom models of systems governed by thermodynamic principles using a template to model each basic process. Validation of this tool in an engine model application was performed through reconstruction of the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) (v2) using the building blocks from the T-MATS (v1) library. In order to match the two engine models, it was necessary to address differences in several assumptions made in the two modeling approaches. After these modifications were made, validation of the engine model continued by integrating both a steady-state and dynamic iterative solver with the engine plant and comparing results from steady-state and transient simulation of the T-MATS and C-MAPSS models. The results show that the T-MATS engine model was accurate within 3% of the C-MAPSS model, with inaccuracy attributed to the increased dimension of the iterative solver solution space required by the engine model constructed using the T-MATS library. This demonstrates that, given an understanding of the modeling assumptions made in T-MATS and a baseline model, the T-MATS tool provides a viable option for constructing a computational model of a twin-spool turbofan engine that may be used in simulation studies.
numerical simulation↗
A Heat and Mass Transfer Model of the Orion European Service Module Propulsion Sub-System
A tool for simulating the thermodynamics of the fluid components of the Orion European Service Module propulsion subsystem has been developed. The 1-dimensional,time-stepping method tracks energy and mass movement through the propellant and pressurant tanks during burn and coast phases of a simulated mission. The code is fast and flexible, allowing easy modifications and incorporation into other computational tools. The results from the simulation have been used to support mission planning, development of flight rules and to guide experimental testing of components and systems.
Spacecraft propulsion↗
Towards an Automated Full-Turbofan Engine Numerical Simulation
The objective of this study was to demonstrate the high-fidelity numerical simulation of a modern high-bypass turbofan engine. The simulation utilizes the Numerical Propulsion System Simulation (NPSS) thermodynamic cycle modeling system coupled to a high-fidelity full-engine model represented by a set of coupled three-dimensional computational fluid dynamic (CFD) component models. Boundary conditions from the balanced, steady-state cycle model are used to define component boundary conditions in the full-engine model. Operating characteristics of the three-dimensional component models are integrated into the cycle model via partial performance maps generated automatically from the CFD flow solutions using one-dimensional meanline turbomachinery programs. This paper reports on the progress made towards the full-engine simulation of the GE90-94B engine, highlighting the generation of the high-pressure compressor partial performance map. The ongoing work will provide a system to evaluate the steady and unsteady aerodynamic and mechanical interactions between engine components at design and off-design operating conditions.
Reed, John A.↗
Thermophysical properties of simple liquid metals: A brief review of theory
In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.
Stroud, David↗
A new technique for simulating rocket engine flow for study of base heating problems.
Short duration technique providing simulation of thermodynamic properties and composition of exhaust products of liquid and solid propellant rocket engines
LAMINAR BOUNDARY LAYER↗
Results from short-duration altitude-chamber techniques for simulating rocket base heating problems.
Short duration technique providing simulation of thermodynamic properties and composition of exhaust products of liquid and solid propellant rocket engines
SOLID PROPELLANT ROCKET ENGINE↗
Controlled cellular energy conversion in brown adipose tissue thermogenesis
Brown adipose tissue serves as a model system for nonshivering thermogenesis (NST) since a) it has as a primary physiological function the conversion of chemical energy to heat; and b) preliminary data from other tissues involved in NST (e.g., muscle) indicate that parallel mechanisms may be involved. Now that biochemical pathways have been proposed for brown fat thermogenesis, cellular models consistent with a thermodynamic representation can be formulated. Stated concisely, the thermogenic mechanism in a brown fat cell can be considered as an energy converter involving a sequence of cellular events controlled by signals over the autonomic nervous system. A thermodynamic description for NST is developed in terms of a nonisothermal system under steady-state conditions using network thermodynamics. Pathways simulated include mitochondrial ATP synthesis, a Na+/K+ membrane pump, and ionic diffusion through the adipocyte membrane.
Horowitz, J. M.↗
Propeller performance and weight predictions appended to the Navy/NASA engine program
The Navy/NASA Engine Performance (NNEP) is a general purpose computer program currently employed by government, industry and university personnel to simulate the thermodynamic cycles of turbine engines. NNEP is a modular program which has the ability to evaluate the performance of an arbitrary engine configuration defined by the user. In 1979, a program to calculate engine weight (WATE-2) was developed by Boeing's Military Division under NASA contract. This program uses a preliminary design approach to determine engine weights and dimensions. Because the thermodynamic and configuration information required by the weight code was available in NNEP, the weight code was appended to NNEP. Due to increased emphasis on fuel economy, a renewed interest has developed in propellers. This report describes the modifications developed by NASA to both NNEP and WATE-2 to determine the performance, weight and dimensions of propellers and the corresponding gearbox. The propeller performance model has three options, two of which are based on propeller map interpolation. Propeller and gearbox weights are obtained from empirical equations which may easily be modified by the user.
Plencner, R. M.↗
Observations of the dynamics of the polar thermosphere
The dynamics of the polar thermosphere are examined by using observations made from the Dynamics Explorer 2 satellite. The results used in this study were obtained primarily from the Fabry-Perot interferometer (FPI) and the wind and temperature spectrometer (WATS) during the time period from September 1981 through January 1982. Two primary geophysical conditions were examined: these were the southern summer and the northern winter polar regions. The results support the conclusion that above 60 degrees of latitude the neutral winds are strongly controlled by ion/neutral frictional momentum transfer resulting from magnetospheric convection. This implies that the natural coordinate system within which to display the neutral winds in the high polar thermosphere is magnetic. The collected observations of this study were used to assess the validity of two of the large thermospheric general circulation models. The result of this assessment was that the models reasonably represent the vector winds at high altitudes but do not, at present, accurately simulate the thermodynamics of that regime.
Hays, P. B.↗