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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 NTRS1978

A procedure for calculating laminar, transitional and/or turbulent three-dimensional boundary layers including surface curvature effects about arbitrary blunt-nosed bodies

The governing equations for laminar, transitional and/or turbulent, incompressible, three-dimensional boundary layers are solved numerically. The equations are developed in terms of an orthogonal surface coordinate system and include surface curvature effects. The coordinates are generated numerically, while the inviscid flow is obtained from a general potential flow procedure. The only restrictions on body geometry are that it possess a blunt nose and a plane of symmetry. The boundary-layer equations, after being transformed into similarity type variables, are solved using the implicit finite-difference Krause scheme. Various test cases are presented to establish the accuracy of the resulting computer program.

Dwoyer, D. L.↗

NASA NTRS1989

Analysis of rotary engine combustion processes based on unsteady, three-dimensional computations

A new computer code was developed for predicting the turbulent, and chemically reacting flows with sprays occurring inside of a stratified charge rotary engine. The solution procedure is based on an Eulerian Lagrangian approach where the unsteady, 3-D Navier-Stokes equations for a perfect gas mixture with variable properties are solved in generalized, Eulerian coordinates on a moving grid by making use of an implicit finite volume, Steger-Warming flux vector splitting scheme, and the liquid phase equations are solved in Lagrangian coordinates. Both the details of the numerical algorithm and the finite difference predictions of the combustor flow field during the opening of exhaust and/or intake, and also during fuel vaporization and combustion, are presented.

Raju, M. S.↗

NASA NTRS1990

Analysis of rotary engine combustion processes based on unsteady, three-dimensional computations

A new computer code was developed for predicting the turbulent and chemically reacting flows with sprays occurring inside of a stratified charge rotary engine. The solution procedure is based on an Eulerian Lagrangian approach where the unsteady, three-dimensional Navier-Stokes equations for a perfect gas mixture with variable properties are solved in generalized, Eulerian coordinates on a moving grid by making use of an implicit finite volume, Steger-Warming flux vector splitting scheme, and the liquid phase equations are solved in Lagrangian coordinates. Both the details of the numerical algorithm and the finite difference predictions of the combustor flow field during the opening of exhaust and/or intake, and also during fuel vaporization and combustion, are presented.

Raju, M. S.↗

NASA NTRS1993

A comparative study of computational solutions to flow over a backward-facing step

A comparative study was conducted for computational fluid dynamic solutions to flow over a backward-facing step. This flow is a benchmark problem, with a simple geometry, but involves complicated flow physics such as free shear layers, reattaching flow, recirculation, and high turbulence intensities. Three Reynolds-averaged Navier-Stokes flow solvers with k-epsilon turbulence models were used, each using a different solution algorithm: finite difference, finite element, and hybrid finite element - finite difference. Comparisons were made with existing experimental data. Results showed that velocity profiles and reattachment lengths were predicted reasonably well by all three methods, while the skin friction coefficients were more difficult to predict accurately. It was noted that, in general, selecting an appropriate solver for each problem to be considered is important.

Mizukami, M.↗

NASA NTRS1995

qSmoothed particle interpolation

Smoothed particle hydrodynamics (SPH) discretization techniques are generalized to develop a method, smoothed particle interpolation (SPI), for solving initial value problems of systems of a nonhydrodynamical nature. Under this approach, SPH is viewed as strickly as interpolation scheme and, as such, suitable for solving general hyperbolic and parabolic equations. The SPI method is tested on (1) the wave equation with inhomogenous sound speed and (2) Burger's equation. The efficiency of SPI is studied by comparing SPI solutions to those obtained with standard finite-difference methods. It is shown that the power of SPI arises when the smoothing particles are free to move.

Laguna, Pablo↗

NASA NTRS1998

Global Artificial Boundary Conditions for Computation of External Flow Problems with Propulsive Jets

We propose new global artificial boundary conditions (ABC's) for computation of flows with propulsive jets. The algorithm is based on application of the difference potentials method (DPM). Previously, similar boundary conditions have been implemented for calculation of external compressible viscous flows around finite bodies. The proposed modification substantially extends the applicability range of the DPM-based algorithm. In the paper, we present the general formulation of the problem, describe our numerical methodology, and discuss the corresponding computational results. The particular configuration that we analyze is a slender three-dimensional body with boat-tail geometry and supersonic jet exhaust in a subsonic external flow under zero angle of attack. Similarly to the results obtained earlier for the flows around airfoils and wings, current results for the jet flow case corroborate the superiority of the DPM-based ABC's over standard local methodologies from the standpoints of accuracy, overall numerical performance, and robustness.

Tsynkov, Semyon↗

NASA NTRS2008

A Novel Multiscale Physics Based Progressive Failure Methodology for Laminated Composite Structures

A variable fidelity, multiscale, physics based finite element procedure for predicting progressive damage and failure of laminated continuous fiber reinforced composites is introduced. At every integration point in a finite element model, progressive damage is accounted for at the lamina-level using thermodynamically based Schapery Theory. Separate failure criteria are applied at either the global-scale or the microscale in two different FEM models. A micromechanics model, the Generalized Method of Cells, is used to evaluate failure criteria at the micro-level. The stress-strain behavior and observed failure mechanisms are compared with experimental results for both models.

Pineda, Evan J.↗

DOE OSTI2018

Effect of laser intensity and exposure time on photothermal therapy with nanoparticles heated by a 793-nm diode laser and tissue optical clearing

Laser-induced thermotherapy is a promising method for cancer treatment, the outcome of which is affected by the exposure time. An inappropriate exposure time and laser intensity cause incomplete tumour destruction, tumour regrowth, and metastasis. Also possible is irreversible damage, i.e. death of healthy cells, and so numerical models are necessary to provide an optimised laser intensity and exposure time for different cancerous tumours. In this study, a model based on finite element method (FEM) is used for solving the bio-heat transfer equation and the Arrhenius equation describing tissue damage. The cancerous tumour is considered as a perfect cylinder with a diameter of 20 mm and a thickness of 2, 3, 4, and 5 mm, filled up by highly absorbing nanoparticles and surrounded by healthy cylindrical tissue with a diameter of 40 mm and a length of 10 mm, which ahs a low scattering coefficient due to optical clearing. The results show that 243 s is a safe and appropriate exposure time when a diode laser with a wavelength of 793 nm and intensity of 0.75 W cm{sup −2} together with gold nanorods of concentration 0.0001 % is used for the treatment of a 3-mm-thick tumour. Then, the results are developed and extensive numerical simulations are used to reveal mathematical relationships between two critical parameters, input power and optimised exposure time, for a series of different tumour thicknesses. Treatment protocols are presented.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2026

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗

DOE OSTI2018

A mechanical reduced order model for elastomeric 3D printed architectures

Direct ink writing of silicone elastomers enables printing with precise control of porosity and mechanical properties of ordered cellular solids, suitable for shock absorption and stress mitigation applications. With the ability to manipulate structure and feedstock stiffness, the design space becomes challenging to parse to obtain a solution producing a desired mechanical response. We derive an analytical design approach for a specific architecture. Results from finite element simulations and quasi-static mechanical tests of two different parallel strand architectures were analyzed to understand the structure-property relationships under uniaxial compression. Combining effective stiffness-density scaling with least squares optimization of the stress responses yielded general response curves parameterized by resin modulus and strand spacing. An analytical expression of these curves serves as a reduced order model, which, when optimized, provides a rapid design capability for filament-based 3D printed structures. Finally, as a demonstration, the optimal design of a face-centered tetragonal architecture is computed that satisfies prescribed minimum and maximum load constraints.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Universal Design Curves for Elastomeric Direct Ink-Writing Architectures

Direct ink writing of silicone elastomers enables printing with precise control of porosity and mechan- ical properties of ordered cellular solids, suitable for shock absorption and stress mitigation applications. With the ability to manipulate structure and feedstock stiffness, the design space becomes challenging to parse to obtain a solution producing a desired mechanical response. Here we derive an analytical design approach for a specific architecture. Results from finite element simulations and quasi-static mechanical tests of two different parallel strand architectures were analyzed to understand the structure-property relationships under compressive strain. Combining effective stiffness-density scaling with least squares optimization of the stress responses yielded general response curves parameterized by resin modulus and strand spacing. An analytical expression of these curves serves as a reduced order model, which, when optimized, provides a rapid design capability for filament-based 3D printed structures. As a demonstration, the optimal design of a face-centered tetragonal architecture is computed that satisfies prescribed minimum and maximum load constraints.

36 MATERIALS SCIENCE↗

NASA NTRS1980

Numerical solution of flow problems using body-fitted coordinate systems

The paper deals with numerically generated boundary-fitted coordinate systems. This procedure eliminates the shape of the boundaries as a complicating factor and allows the flow about arbitrary boundaries to be treated essentially as easily as that about simple boundaries. The technique of boundary-fitted coordinate systems is based on a method of automatic numerical generation of a general curvilinear coordinate system having a coordinate line coincident with each boundary of a general multiconnected region involving any number of arbitrarily shaped boundaries. Once the curvilinear coordinate system is generated, any partial differential system of interest may be solved on the coordinate system by transforming the equations and solving the resulting system in finite-difference approximation on the rectangular transformed plane. Attention is given to the types of boundary-fitted coordinate systems, coordinate system control, operation of the coordinate codes, solution of partial differential equations, application to free-surface flow, and other applications of interest.

Thompson, J. F.↗

NASA NTRS1981

On the convergence of unsteady generalized aerodynamic forces

Variations in generalized forces calculated by different computer programs are traced to improper mathematical modeling techniques. Comparisons of generalized forces calculated by three theoretical methods are presented to illustrate difficulties involved in obtaining prediction convergence for increasing wave number. Use of a sufficiently dense chordwise paneling arrangement, in finite panel methods, results in predictions that are essentially identical to predictions of converged solutions. Procedural modifications are suggested for application in finite panel methods to increase prediction accuracy and reduce computer usage costs.

Rowe, W. S.↗

NASA NTRS1988

Mach number effects on transonic aeroelastic forces and flutter characteristics

Transonic aeroelastic stability analysis and flutter calculations are presented for a generic transport-type wing based on the use of the CAP-TSD (Computational Aeroelasticity Program - Transonic Small Disturbance) finite-difference code. The CAP-TSD code was recently developed for transonic unsteady aerodynamic and aeroelastic analysis of complete aircraft configurations. A binary aeroelastic system consisting of simple bending and torsion modes was used to study aeroelastic behavior at transonic speeds. Generalized aerodynamic forces are presented for a wide range of Mach number and reduced frequency. Aeroelastic characteristics are presented for variations in freestream Mach number, mass ratio, and bending-torsion frequency ratio. Flutter boundaries are presented which have two transonic dips in flutter speed. The first dip is the usual transonic dip involving a bending-dominated flutter mode. The second dip is characterized by a single degree-of-freedom torsion oscillation. These aeroelastic results are physically interpreted and shown to be related to the steady state shock location and changes in generalized aerodynamic forces due to freestream Mach number.

Mohr, Ross W.↗

NASA NTRS1988

Mach number effects on transonic aeroelastic forces and flutter characteristics

Mohr, Ross W.↗

NASA NTRS1990

Comparisons of thermochemical nonequilibrium viscous flowfield predictions for AFE vehicle

Numerical solutions for the Aeroassist Flight Experiment vehicle were obtained from three methods at a trajectory point corresponding to the maximum aerodynamic heating. The flow regime and vehicle's speed require a viscous model of laminar flow and finite-rate chemical and thermal modeling. The computational domain covers both forebody and base such that the shock layer and near wake flowfield are included. Because of differences in computational grids, methods of solution, and models of rate equations, the results are generally in poor agreement. Temperature and species concentrations are strongly affected by the physical model equations and associated parameters. The chemistry model based on 11 species is found to yield lower translational temperature profile near stagnation than those from a seven-species model. The vibrational temperature varies according to the modeling details. All solutions indicate that strong neutral and/or molecular dissociation and weak ionization take place at the forebody and vibrational freezing is present in the afterbody expansion region where the vibrational temperature is higher than the translational temperature. Some forms of shear layer emanating from the aerobrake skirt coalesce in the region of reversed flow behind the vehicle.

Tam, Luen T.↗

NASA NTRS1983

The mechanics of delamination in fiber-reinforced composite materials. I - Stress singularities and solution structure

The fundamental mechanics of delamination in fiber composite laminates is studied. Mathematical formulation of the problem is based on laminate anisotropic elasticity theory and interlaminar fracture mechanics concepts. Stress singularities and complete solution structures associated with general composite delaminations are determined. For a fully open delamination with traction-free surfaces, oscillatory stress singularities always appear, leading to physically inadmissible field solutions. A refined model is introduced by considering a partially closed delamination with crack surfaces in finite-length contact. Stress singularities associated with a partially closed delamination having frictional crack-surface contact are determined, and are found to be different from the inverse square-root one of the frictionless-contact case. In the case of a delamination with very small area of crack closure, a simplified model having a square-root stress singularity is employed by taking the limit of the partially closed delamination. The possible presence of logarithmic-type stress singularity is examined; no logarithmic singularity of any kind is found in the composite delamination problem. Numerical examples of dominant stress singularities are shown for delaminations having crack-tip closure with different frictional coefficients between general (1) and (2) graphite-epoxy composites. Previously announced in STAR as N84-13221

Wang, S. S.↗

DOE OSTI2023

Extreme sensitivity of higher-order interatomic force constants and thermal conductivity to the energy surface roughness of exchange-correlation functionals

In this Letter, we report that the fourth-order interatomic force constants (4th-IFCs) are significantly sensitive to the energy surface roughness of exchange-correlation (XC) functionals in density functional theory calculations. This sensitivity, which is insignificant for the second- (2nd-) and third-order (3rd-) IFCs, varies for different functionals in different materials and can cause misprediction of thermal conductivity by several times of magnitude. As a result, when calculating the 4th-IFCs using the finite difference method, the atomic displacement needs to be taken large enough to overcome the energy surface roughness, in order to accurately predict phonon lifetime and thermal conductivity. We demonstrate this phenomenon on a benchmark material (Si), a high-thermal conductivity material (BAs), and a low thermal conductivity material (NaCl). For Si, we find that the LDA, PBE, and PBEsol XC functionals are all smooth to the 2nd- and 3rd-IFCs but all rough to the 4th-IFCs. This roughness can lead to a prediction of nearly one order of magnitude lower thermal conductivity. For BAs, all three functionals are smooth to the 2nd- and 3rd-IFCs, and only the PBEsol XC functional is rough for the 4th-IFCs, which leads to a 40% underestimation of thermal conductivity. For NaCl, all functionals are smooth to the 2nd- and 3rd-IFCs but rough to the 4th-IFCs, leading to a 70% underprediction of thermal conductivity at room temperature. In conclusion, with these observations, we provide general guidance on the calculation of 4th-IFCs for an accurate thermal conductivity prediction.

42 ENGINEERING↗