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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1969

ELAS: A general-purpose computer program for the equilibrium problems of linear structures. Volume 2: Documentation of the program

A general purpose digital computer program for the in-core solution of linear equilibrium problems of structural mechanics is documented. The program requires minimum input for the description of the problem. The solution is obtained by means of the displacement method and the finite element technique. Almost any geometry and structure may be handled because of the availability of linear, triangular, quadrilateral, tetrahedral, hexahedral, conical, triangular torus, and quadrilateral torus elements. The assumption of piecewise linear deflection distribution insures monotonic convergence of the deflections from the stiffer side with decreasing mesh size. The stresses are provided by the best-fit strain tensors in the least squares at the mesh points where the deflections are given. The selection of local coordinate systems whenever necessary is automatic. The core memory is used by means of dynamic memory allocation, an optional mesh-point relabelling scheme and imposition of the boundary conditions during the assembly time.

Utku, S.↗
DOE OSTI2023

Variable renewable energy deployment in low-emission scenarios: The role of technology cost and value

While rapid deployment of variable renewable energy (VRE) technologies, namely wind and solar PV, is often projected in 2C pathways generated by integrated assessment models, there is a wide range in projected VRE deployment by mid-century. Such differences could be the result of differences in assumptions about future technology costs and/or differences in model approaches for capturing other aspects of technology competitiveness. Here we introduce a consistent competitiveness metric, profitability-adjusted levelized cost of electricity (or PLCOE), to an integrated assessment model (EPPA) to evaluate the representation of technology competition, including VRE, in low-emission scenarios. We show that representing the value of technology (alongside cost) may significantly impact VRE deployment relative to scenarios without such an adjustment. In addition, we show that varying VRE costs by about 35% in 2050 results in differences in VRE deployment that span much of the range in outcomes (over the same period) observed in likely 2C scenarios assessed by the IPCC, suggesting that both cost and value are key drivers of VRE deployment in such scenarios. Given the central role that VRE technologies play in the electricity mix across most scenarios, we also find that alternative cost assumptions for VRE technologies can lead to changes in electricity prices, the associated demand for electricity, and total final and primary energy consumption. However, the demand for fuels other than electricity is relatively insensitive to VRE assumptions in the 2C scenarios considered here.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1951

General method and thermodynamic tables for computation of equilibrium composition and temperature of chemical reactions

A rapidly convergent successive approximation process is described that simultaneously determines both composition and temperature resulting from a chemical reaction. This method is suitable for use with any set of reactants over the complete range of mixture ratios as long as the products of reaction are ideal gases. An approximate treatment of limited amounts of liquids and solids is also included. This method is particularly suited to problems having a large number of products of reaction and to problems that require determination of such properties as specific heat or velocity of sound of a dissociating mixture. The method presented is applicable to a wide variety of problems that include (1) combustion at constant pressure or volume; and (2) isentropic expansion to an assigned pressure, temperature, or Mach number. Tables of thermodynamic functions needed with this method are included for 42 substances for convenience in numerical computations.

Huff, Vearl N↗
NASA NTRS1983

Viscous shock-layer predictions of three-dimensional nonequilibrium flows past the space shuttle at high angle of attack

Computational solutions were obtained for chemically reacting flowfields over the entire windward surface of the Space Shuttle at high angle of attack. The recently developed computational method for the Space Shuttle is capable of treating three dimensional viscous nonequilibrium air flow as well as equilibrium air and perfect gas flows. A general nonorthogonal computational grid system is used to treat the nonaxisymmetric geometry. Boundary conditions take into account noncatalytic wall, equilibrium with noncatalytic wall condition are compared to the fully catalytic wall solutions, the equilibrium air solutions, the perfect gas solutions, and also the Shuttle flight heating and pressure data. The comparisons show good agreement and correlations in most cases.

Kim, M. D.↗
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.↗
NASA NTRS1988

Some numerical and physical aspects of unsteady Navier-Stokes computations over airfoils using dynamic meshes

An upwind-biased implicit approximate factorization algorithm is applied to several unsteady flows on dynamic meshes. The thin-layer form of the compressible Navier-Stokes equations is used to solve both laminar and turbulent flows over airfoils pitching about the quarter chord. Numerical aspects of the solutions are investigated, including grid and time step effects. Two methods for determining fluxes - flux-vector splitting and flux-difference splitting - are compared. Flux-difference splitting predicts results more accurately than flux-vector splitting on a coarse mesh, but both methods agree on a fine mesh. Physical aspects of the computations are also examined. An equilibrium turbulent boundary layer model computes generally better unsteady results in comparison with experiment than a nonequilibrium model for the transonic case analyzed. Also, the size and location of the primary shed vortex for an airfoil pitching up at a constant rate is calculated in good agreement with experiment for two pitch rates.

Rumsey, Christopher L.↗
NASA NTRS1988

Parametric study of grid size, time step and turbulence modeling on Navier-Stokes computations over airfoils

An upwind-biased implicit approximate factorization algorithm is applied to several steady and unsteady turbulent flows. The thin layer form of the compressible Navier-Stokes equation is used. Both the flux vector splitting and flux difference splitting methods are used to determine fluxes, and the results are compared. Flux difference splitting predicts results more accurately than flux vector splitting on a given mesh size, but, in its present implementation, is more severely limited by the maximum CFL number for unsteady time accurate flows. Physical aspects of the computations are also examined. An equilibrium turbulent boundary layer model computes generally better steady and unsteady results than a nonequilibrium model when there is little to no boundary layer separation. Conversely, when a significant region of separation exists, the nonequilibrium model performs in better agreement with experiment.

Rumsey, Christopher L.↗
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↗
DOE OSTI2025

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗