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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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NASA NTRSDate not supplied

NASA Chemical Equilibrium with Applications (CEA) Tutorial

The software program Chemical Equilibrium with Applications (CEA) is used to solve chemical equilibrium, and compute thermodynamic and transport properties of the resulting mixture, and also has special solvers dedicated to rocket, shock, and detonation problems. We will give an overview of CEA’s features and discuss some of the fundamental equations used by CEA, as well as the fundamental assumptions, in order to provide users with a better understanding of what exactly the software is doing. We have undertaken a full re-write of the software in the last two years, so we will also provide details about the new version of CEA as well.

chemical equilibrium↗
NASA NTRS2014

NEQAIRv14.0 Release Notes: Nonequilibrium and Equilibrium Radiative Transport Spectra Program

NEQAIR v14.0 is the first parallelized version of NEQAIR. Starting from the last version of the code that went through the internal software release process at NASA Ames (NEQAIR 2008), there have been significant updates to the physics in the code and the computational efficiency. NEQAIR v14.0 supersedes NEQAIR v13.2, v13.1 and the suite of NEQAIR2009 versions. These updates have predominantly been performed by Brett Cruden and Aaron Brandis from ERC Inc at NASA Ames Research Center in 2013 and 2014. A new naming convention is being adopted with this current release. The current and future versions of the code will be named NEQAIR vY.X. The Y will refer to a major release increment. Minor revisions and update releases will involve incrementing X. This is to keep NEQAIR more in line with common software release practices. NEQAIR v14.0 is a standalone software tool for line-by-line spectral computation of radiative intensities and/or radiative heat flux, with one-dimensional transport of radiation. In order to accomplish this, NEQAIR v14.0, as in previous versions, requires the specification of distances (in cm), temperatures (in K) and number densities (in parts/cc) of constituent species along lines of sight. Therefore, it is assumed that flow quantities have been extracted from flow fields computed using other tools, such as CFD codes like DPLR or LAURA, and that lines of sight have been constructed and written out in the format required by NEQAIR v14.0. There are two principal modes for running NEQAIR v14.0. In the first mode NEQAIR v14.0 is used as a tool for creating synthetic spectra of any desired resolution (including convolution with a specified instrument/slit function). The first mode is typically exercised in simulating/interpreting spectroscopic measurements of different sources (e.g. shock tube data, plasma torches, etc.). In the second mode, NEQAIR v14.0 is used as a radiative heat flux prediction tool for flight projects. Correspondingly, NEQAIR has also been used to simulate the radiance measured on previous flight missions. This report summarizes the database updates, corrections that have been made to the code, changes to input files, parallelization, the current usage recommendations, including test cases, and an indication of the performance enhancements achieved.

Radiation Solver↗
DOE OSTI2022

Stochastic Strategic Participation of Active Distribution Networks With High-Penetration DERs in Wholesale Electricity Markets

With the increasing penetration of distributed energy resources (DERs), traditional distribution networks as load-serving entities in wholesale electricity markets, now evolve towards active distribution networks (ADNs) which can proactively participate in wholesale markets by optimally controlling the DERs in their networks. A stochastic bilevel optimization model is proposed in this paper for the strategic participation of ADNs and DERs to provide energy and grid services in wholesale electricity markets. The bilevel optimization model can capture the interactions between the ADN and the wholesale energy and ancillary service markets, considering the uncertainties of DERs in the ADN. In the upper-level model, the ADN makes optimal decisions on energy and reserve bidding considering the availability, uncertainties, and flexibility of DERs. The joint energy and reserve market-clearing of the independent system operator (ISO) is modeled as the lower-level problem. Using strong duality theory and Karush-Kuhn Tucker (KKT) conditions, the proposed bilevel optimization problem is reformulated as mathematical programming with equilibrium constraints (MPEC) problem and further converted into a computationally-solvable mixed-integer second-order-cone programming (MISOCP) model. The simulation results demonstrate the effectiveness of the model and the interactions between an ADN and wholesale electricity markets.

active distribution network↗
DOE OSTI2021

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

active distribution network↗
NASA NTRS1978

Analysis of linear viscoelastic structures

General purpose program solves equilibrium problems associated with one-, two-, and three-dimensional linear thermoviscoelastic structures. Program can be used to analyze wide variety of structures constructed of any isotropic, orthotropic, or anisotropic material.

Gupta, K. K.↗
NASA NTRS1980

Aircraft equilibrium spin characteristics

Program provides analytic solutions to nonlinear equations of motion describing spin conditions. Stability characteristics also are determined. Program can be used to study effects of aerodynamic and inertial parameters on spin and could be modified to compute equilibrium conditions for steady maneuvers. Program is written in FORTRAN IV for batch execution on CYBER 173.

Adams, W. M., Jr.↗
DOE OSTI2022

Electrochemically-Induced Phase Transformations in Battery Storage Compounds (Final Technical Report)

Compounds of interest for ion storage in advanced batteries frequently exhibit phase transformations as the working ion concentration varies. Under large electrochemical driving forces inherent to practical use, systems are often driven far from equilibrium. This program combines experiments and theory to understand the phase transition behavior of ion insertion compounds when electrochemically driven far from equilibrium. As model systems, we focus on alkaline metal phosphates AMPO4 (A = alkali; M = first row transition metal) of olivine structure, which are both technologically interesting and ideally suited for fundamental study due to the ability to systematically tune transformation strain, and along with it, the phase transformation pathway. Behavior in compositions having large transformation strains (~15 vol%) requiring plasticity for strain accommodation is emphasized. Experimental techniques include operando characterization of structure while simultaneously varying electrokinetic parameters, and high resolution microscopy of nanoscale and interfacial phenomena. Phase-field modeling is used to model the thermodynamics and kinetics of competing transformation pathways, extended to include the effects of plasticity, and integrated with porous electrode kinetic theory to treat multi-particle effects. Success in this project will lead to an ability to design ion storage compounds with predictable transformation pathways, electrochemical kinetics, capacity utilization, and durability. New technologically important compounds may also be discovered.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Program for analysis of nonlinear equilibrium and stability (PANES)

PANES utilizes improved techniques for analysis of structures with material and geometric nonlinearities, including limit point and bifurcations behavior which occurs in buckling and collapse problems. Incremental loading, Newton-Raphson iteration, and higher order methods are used in program.

Vos, R. G.↗
NASA NTRS1993

Computer program for thermal and transport properties of parahydrogen from 20 to 10,000 K

A computer program was recently developed to provide thermal and transport properties for parahydrogen across a wide temperature and pressure range. The program, NBS+/-pH2, matches the most recent parahydrogen property data from the National Bureau of Standards up to 3000 K and property data from the NASA Lewis Research Center's Chemical Equilibrium Computer Program up to 10,000 K. The pressure range of NBS+/-pH2 is from 1 x 10(exp 4) to 1.6 x 10(exp 7) Pa. The program was developed to meet the need for accurate parahydrogen properties from liquid to dissociated conditions as required by propulsion simulation programs being developed under the Space Exploration Initiative. NBS+/-pH2 is a machine-independent, standard Fortran 77 program which provides density, thermal conductivity, viscosity, Prandtl number, entropy, specific heats, and speed of sound given pressure and either temperature or enthalpy. This program is described and a comparison to programs previously available is provided.

Walton, James T.↗
DOE OSTI2021

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

Xue, Yaosuo↗
NASA NTRS1991

The Navy/NASA Engine Program (NNEP89): Interfacing the program for the calculation of complex Chemical Equilibrium Compositions (CEC)

The NNEP is a general computer program for calculating aircraft engine performance. NNEP has been used extensively to calculate the design and off-design (matched) performance of a broad range of turbine engines, ranging from subsonic turboprops to variable cycle engines for supersonic transports. Recently, however, there has been increased interest in applications for which NNEP is not capable of simulating, such as the use of alternate fuels including cryogenic fuels and the inclusion of chemical dissociation effects at high temperatures. To overcome these limitations, NNEP was extended by including a general chemical equilibrium method. This permits consideration of any propellant system and the calculation of performance with dissociation effects. The new extended program is referred to as NNEP89.

Gordon, Sanford↗
NASA NTRS1984

Computer program for calculation of complex chemical equilibrium compositions and applications. Supplement 1: Transport properties

An addition to the computer program of NASA SP-273 is given that permits transport property calculations for the gaseous phase. Approximate mixture formulas are used to obtain viscosity and frozen thermal conductivity. Reaction thermal conductivity is obtained by the same method as in NASA TN D-7056. Transport properties for 154 gaseous species were selected for use with the program.

Gordon, S.↗
NASA NTRS1976

Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

Sanford Gordon↗
NASA NTRS1972

Viscel: A general purpose computer program for analysis of linear viscoelastic structures, volume 2

The VISCEL program is a general purpose computer program developed for equilibrium analysis of linear viscoelastic structures. The program is written in FORTRAN 5 language to operate on the Univac 1108 computer under the EXEC 8 operating system. The program, an extension of the linear equilibrium problem solver ELAS, is an updated and extended version of its earlier form written for the IBM 7094 computer. Finite element matrix displacement approach coupled with the synchronized material property concept, utilizing incremental time steps, was adopted for the solution presented. The step-by-step procedure involves solution of recursive equations in the time domain, which takes into account the memory of material properties. Incremental and accumulative displacements and stresses are obtained at the end of each time step. In order to minimize the extent of computations resulting from accumulative effects of material memory, the program provides an option which enables the employment of constant time steps in the logarithmic scale. Program documentation is presented.

Gupta, K. K.↗