Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “numerical relativity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Flame Characterization of a Hydrogen Micromix Burner using Experimental and Numerical Methods - Extended Abstract

Micromix combustion presents a promising solution for integrating hydrogen into gas turbine combustors, offering rapid and compact air-fuel mixing that effectively shortens the combustion zone and significantly reduces nitrogen oxides (NOX) emissions. A major challenge in hydrogen combustion systems is flashback, which is mitigated through short mixing lengths and high flow velocities. This study investigates three fuel injector designs – zero swirl, low swirl, and high swirl – for a 6-mm inner diameter nozzle, where hydrogen is injected through six 0.3 mm diameter holes in a jet-in-crossflow configuration relative to the airstream. Numerical simulations indicate stable flame formation, moderate peak flame temperatures, and subsequent low NOx potential for all designs. These injectors have been fabricated using additive manufacturing, and upcoming experiments will explore flame structure and NOx behavior across varying fuel injection angles, equivalence ratios and pre-mixer velocities. These efforts aim to advance the development of low-emission hydrogen micromix combustion.

hydrogen↗
NASA NTRS1991

On the computation of near wake, aerobrake flowfields

Simulations of the near wake flowfield behind three aerobrakes have been implemented with Program LAURA, an algorithm for obtaining the numerical solution to the governing equations for three-dimensional, viscous, hypersonic flows in chemical and thermal nonequilibrium. Emphasis is placed on understanding the conditons which are likely to cause the shear layer to impinge on a payload positioned behind the aerobrake. A linear relationship between shear layer deflection angle and angle of attack (or lift-to-drag ratio) has been identified in several ground based tests. A similar relation appears in the numerical simulations, though there is some evidence that deflection angels may increase somewhat due to the effects of gas chemistry. Shear layer impingement can raise local heating levels a factor of 10 higher than levels present without impingement. Payload heating levels near impingement points are a larger percentage of stagnation point heating levels at higher altitudes and peak payload heating levels are likely to occur earlier in the trajectory than peak heating on the forebody stagnation point.

Gnoffo, Peter A.↗
NASA NTRS1979

Numerical modeling of quasi-static coronal loops. I - Uniform energy input

A quasi-static numerical model for coronal loops is considered for the case of a uniform energy input per unit volume into the loops. A line dipole model is used to represent the loop magnetic field, and the variations in loop cross section observed in X-ray photographs are parameterized by the ratio between the cross-sectional areas at the loop apex and base. The results of numerical modeling indicate that for an area ratio greater than unity, increases in the area ratio of a loop with a given length and apex area cause a general rise in electron density and a fall in the temperature gradient, leading to large increases in the differential emission factor at high temperatures. The differential function obtained is significantly different from that predicted by analytical models; however, analytical predictions for the temperature-electron density relations are comparable to numerical results. It is also concluded that even a symmetrical loop may have a maximum temperature away from the apex.

Vesecky, J. F.↗
DOE OSTI2022

A modified model parametrization algorithm for solving a special type of heat and mass transfer systems

A new method for solving nonlinear heat and mass transfer design tasks was considered. Systems using the Number of Transfer Units (NTU) method are a special type of mathematical model of heat and mass exchangers. It was observed, that the NTU models in a form of differential-algebraic equations (DAEs) cannot be directly solved with higher values of NTU. The requirements for consistent initial conditions, as well as numerical limitations of DAEs solvers, result, that the solution to the considered design problems that cannot be obtained by a classical direct shooting procedure. To overcome the presented difficulties, the αDAE model optimization algorithm was adjusted for solving NTU-based models. The new approach consists of 3 main steps: 1) task discretization by a multiple-shooting approach, 2) design an appropriate function $f_{NTU}$(α) to effectively influence the variability of the state variables described by dynamical relations, 3) the iterative numerical optimization algorithm for the new parametrized system. Moreover, computations can be performed by a chosen numerical optimization approach, which can be communicated with an available outer procedure for solving differential-algebraic equations. The presented algorithm was implemented and applied to solve the design task with the NTU model of a counter-flow exchanger. Here, the new approach was used to modify the system dynamics to influence the difficulty of the considered problem. Finally, the presented method enabled failure-free numerical computations for the higher values of the NTU parameter.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Analytic Formulation and Numerical Implementation of an Acoustic Pressure Gradient Prediction

The scattering of rotor noise is an area that has received little attention over the years, yet the limited work that has been done has shown that both the directivity and intensity of the acoustic field may be significantly modified by the presence of scattering bodies. One of the inputs needed to compute the scattered acoustic field is the acoustic pressure gradient on a scattering surface. Two new analytical formulations of the acoustic pressure gradient have been developed and implemented in the PSU-WOPWOP rotor noise prediction code. These formulations are presented in this paper. The first formulation is derived by taking the gradient of Farassat's retarded-time Formulation 1A. Although this formulation is relatively simple, it requires numerical time differentiation of the acoustic integrals. In the second formulation, the time differentiation is taken inside the integrals analytically. The acoustic pressure gradient predicted by these new formulations is validated through comparison with the acoustic pressure gradient determined by a purely numerical approach for two model rotors. The agreement between analytic formulations and numerical method is excellent for both stationary and moving observers case.

Lee, Seongkyu↗
NASA NTRS1992

Comments on 'Gas release from comets' and related trapped-gas experiments

The numerous variables influencing trapped-gas experiment results based on cometary ice analogs are presently discussed in view of the Notesco et al. (1991) data on Kr-trapping and release by H2O ice. Attention is drawn to the questionable tennability of a linear relation proposed between the thickness of the ice and the gas retained beyond the amorphous-to-cubic phase change of H2O. Exacting care is required in the application of laboratory results to cometary phenomena, rendering definitive conclusions extremely elusive.

Hudson, R. L.↗
NASA NTRS2003

Magnetohydrodynamic Jump Conditions for Oblique Relativistic Shocks with Gyrotropic Pressure

Shock jump conditions, i.e., the specification of the downstream parameters of the gas in terms of the upstream parameters, are obtained for steady-state, plane shocks with oblique magnetic fields and arbitrary flow speeds. This is done by combining the continuity of particle number flux and the electromagnetic boundary conditions at the shock with the magnetohydrodynamic conservation laws derived from the stress-energy tensor. For ultrarelativistic and nonrelativistic shocks, the jump conditions may be solved analytically. For mildly relativistic shocks, analytic solutions are obtained for isotropic pressure using an approximation for the adiabatic index that is valid in high sonic Mach number cases. Examples assuming isotropic pressure illustrate how the shock compression ratio depends on the shock speed and obliquity. In the more general case of gyrotropic pressure, the jump conditions cannot be solved analytically with- out additional assumptions, and the effects of gyrotropic pressure are investigated by parameterizing the distribution of pressure parallel and perpendicular to the magnetic field. Our numerical solutions reveal that relatively small departures from isotropy (e.g., approximately 20%) produce significant changes in the shock compression ratio, r , at all shock Lorentz factors, including ultrarelativistic ones, where an analytic solution with gyrotropic pressure is obtained. In particular, either dynamically important fields or significant pressure anisotropies can incur marked departures from the canonical gas dynamic value of r = 3 for a shocked ultrarelativistic flow and this may impact models of particle acceleration in gamma-ray bursts and other environments where relativistic shocks are inferred. The jump conditions presented apply directly to test-particle acceleration, and will facilitate future self-consistent numerical modeling of particle acceleration at oblique, relativistic shocks; such models include the modification of the fluid velocity profile due to the contribution of energetic particles to the momentum and energy fluxes.

Double, Glen P.↗
NASA NTRS1977

Dynamical response of the solar corona. III - Numerical simulation of the 1973 June 10 coronal transient

A spherically symmetric adiabatic single-fluid model is outlined for simulating the nonlinear time-dependent response of the corona to solar events that are simulated by perturbations in the appropriate physical variables from their steady-state values at the coronal base. Several observed features of the coronal transient that occurred on June 10, 1973, are simulated by using a particular steady-state solar wind, a specific combination of density and temperature perturbations, and a particular time dependence of the perturbations. A different steady-state solar wind, a perturbation of shorter duration, and other perturbation combinations are also employed to simulate the same transient so that the effect of each quantity can be determined. It is found that the model cannot adequately simulate all the observational results for the investigated transient, that the steady-state solar wind is relatively unimportant in such numerical simulations, and that studies which attempt only to reproduce observed shock trajectories may lead to erroneous conclusions regarding the physics of the solar event that produced the transient.

Steinolfson, R. S.↗
NASA NTRS2003

Distal Ejecta from the Ries Crater: Moldavites and Projectile

Using detailed geological, petrographic, geochemical, and geographical constraints we have performed numerical modeling studies that relate the Steinheim crater (Da = 3.8 km), the Ries crater (D(sub a) = 24 km) in Southern Germany, and the moldavite (tektite) strewn field. The known moldavite strewn field extends from about 200 to 450 km from the center of the Ries to the ENE forming a fan with an angle of about 57 deg. An oblique impact of a binary asteroid from a WSW direction appears to explain the locations of the craters and the formation and distribution of the moldavites. In a presented study we attempt to answer more questions concerning this particular strewn field as well as other questions common for all tektites. What is the maximum 'numerical' size of the moldavite strewn field? How is this size connected with the crater size and the impact conditions? How many tektites may be found theoretically without weathering and surface erosion? What is the size of tektites? Why they are not contaminated by projectile? Where is the projectile material?

Artemieva, N. A.↗
NASA NTRS1981

Relative performance of algorithms for autonomous satellite orbit determination

Limited word size in contemporary microprocessors causes numerical problems in autonomous satellite navigation applications. Numerical error introduced in navigation computations performed on small wordlength machines can cause divergence of sequential estimation algorithms. To insure filter reliability, square root algorithms have been adopted in many applications. The optimal navigation algorithm requires a careful match of the estimation algorithm, dynamic model, and numerical integrator. In this investigation, the relationship of several square root filters and numerical integration methods is evaluated to determine their relative performance for satellite navigation applications. The numerical simulations are conducted using the Phase I GPS constellation to determine the orbit of a LANDSAT-D type satellite. The primary comparison is based on computation time and relative estimation accuracy.

Tapley, B. D.↗
DOE OSTI2020

On‐site surrogates for large‐scale calibration

Abstract Motivated by a computer model calibration problem from the oil and gas industry, involving the design of a honeycomb seal, we develop a new Bayesian methodology to cope with limitations in the canonical apparatus stemming from several factors. We propose a new strategy of on‐site design and surrogate modeling for a computer simulator acting on a high‐dimensional input space that, although relatively speedy, is prone to numerical instabilities, missing data, and nonstationary dynamics. Our aim is to strike a balance between data‐faithful modeling and computational tractability in a calibration framework—tailoring the computer model to a limited field experiment. Situating our on‐site surrogates within the canonical calibration apparatus requires updates to that framework. We describe a novel yet intuitive Bayesian setup that carefully decomposes otherwise prohibitively large matrices by exploiting the sparse blockwise structure. Empirical illustrations demonstrate that this approach performs well on toy data and our motivating honeycomb example.

Huang, Jiangeng↗
NASA NTRS1986

Constitutive modeling of cyclic plasticity and creep, using an internal time concept

Using the concept of an internal time as related to plastic strains, a differential stress-strain relation for elastoplasticity is rederived, such that (1) the concept of a yield-surface is retained; (2) the definitions of elastic and plastic processes are analogous to those in classical plasticity theory; and (3) its computational implementation, via a 'tangent-stiffness' finite element method and a 'generalized-midpoint-radial-return' stress-integration algorithm, is simple and efficient. Also, using the concept of an internal time, as related to both the inelastic strains as well as the Newtonian time, a constitutive model for creep-plasticity interaction, is discussed. The problem of modeling experimental data for plasticity and creep, by the present analytical relations, as accurately as desired, is discussed. Numerical examples which illustrate the validity of the present relations are presented for the cases of cyclic plasticity and creep.

Watanabe, O.↗
NASA NTRS2013

MHD Simulations of the Plasma Flow in the Magnetic Nozzle

The magnetohydrodynamic (MHD) flow of plasma through a magnetic nozzle is simulated by solving the governing equations for the plasma flow in the presence of an static magnetic field representing the applied nozzle. This work will numerically investigate the flow and behavior of the plasma as the inlet plasma conditions and magnetic nozzle field strength are varied. The MHD simulations are useful for addressing issues such as plasma detachment and to can be used to gain insight into the physical processes present in plasma flows found in thrusters that use magnetic nozzles. In the model, the MHD equations for a plasma, with separate temperatures calculated for the electrons and ions, are integrated over a finite cell volume with flux through each face computed for each of the conserved variables (mass, momentum, magnetic flux, energy) [1]. Stokes theorem is used to convert the area integrals over the faces of each cell into line integrals around the boundaries of each face. The state of the plasma is described using models of the ionization level, ratio of specific heats, thermal conductivity, and plasma resistivity. Anisotropies in current conduction due to Hall effect are included, and the system is closed using a real-gas equation of state to describe the relationship between the plasma density, temperature, and pressure.A separate magnetostatic solver is used to calculate the applied magnetic field, which is assumed constant for these calculations. The total magnetic field is obtained through superposition of the solution for the applied magnetic field and the self-consistently computed induced magnetic fields that arise as the flowing plasma reacts to the presence of the applied field. A solution for the applied magnetic field is represented in Fig. 1 (from Ref. [2]), exhibiting the classic converging-diverging field pattern. Previous research was able to demonstrate effects such as back-emf at a super-Alfvenic flow, which significantly alters the shape of the magnetic field in both the near- and far-field regions. However, in that work the downstream domain was constrained to a channel of constant cross-sectional area. In the present work we seek to address this issue by modeling the downstream region with a domain that permits free expansion of the plasma, permitting a better evaluation of the downstream effects the applied field has on the plasma. The inlet boundary conditions and applied magnetic field values will also be varied to determine the effect the initial plasma energy content and applied magnetic field energy density have on the near- and far-field plasma properties on the MHD code. This will determine the effect of inlet boundary conditions on the results downstream and address issues related to the restrictive numerical domain previously used.

Smith, T. E. R.↗
NASA NTRS1979

Application of a numerical orthogonal coordinate generator to axisymmetric blunt bodies

An application of a simple numerical technique which allows for the rapid construction of orthogonal coordinate systems about axisymmetric blunt bodies is presented. This technique can generate orthogonal meshes which have unequally spaced points in two directions. Relations are given for the numerical generation of the metric coefficients. Body shapes ranging from simple analytical bodies to complex reverse curvature bodies are presented together with their orthogonal coordinate systems. The relatively good accuracy of the technique is shown in tabular data describing coordinate line slopes and metric coefficients. The predictor-corrector numerical method used to generate these results is both simple in concept and easy to program, so that the application of the technique should be broader than the results presented.

Graves, R. A., Jr.↗
DOE OSTI2020

Chapter 10: Crystallography of Metabolic Enzymes

The metabolic enzymes like any enzymes generally display globular architecture where secondary structure elements and interactions between them preserve the spatial organization of the protein. A typical enzyme features a well-defined active site, designed for selective binding of the reaction substrate and facilitating a chemical reaction converting the substrate into a product. While many chemical reactions could be facilitated using only the functional groups that are found in proteins, the large percentage or intracellular reactions require use of cofactors, varying from single metal ions to relatively large molecules like numerous coenzymes, nucleotides and their derivatives, dinucleotides or hemes. Quite often these large cofactors become important not only for the catalytic function of the enzyme but also for the structural stability of it, as those are buried deep in the enzyme.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗
DOE OSTI2021

A mechanistic damage model for solid oxide fuel cell ceramic materials - Part I: Constitutive modeling

A multiscale mechanistic damage model for solid oxide fuel cell (SOFC) ceramics that combines micromechanics of stiffness reduction due to material porosity change and microcracking with a continuum damage mechanics (CDM) description for the evolution of microcracks up to fracture is developed in this work. The model also accounts for volumetric swelling of the anode due to redox cycling. Porosity change and swelling during redox combined with normal operating thermomechanical loads could increase the stress, strain and damage distributions in SOFC stacks leading them to failure. The proposed model involves three governing parameters: (i) the porosity in terms of the pore or void volume fraction, (ii) material swelling magnitude prescribed at a given loading step, and (iii) the damage variable that describes microcracking caused by thermomechanical loads and swelling. Pores and microcracks in the ceramics are modeled as randomly distributed ellipsoidal inclusions with negligible stiffness by an Eshelby-Mori-Tanaka formulation combined with an inclusion orientation distribution method. Microcracking damage evolution is described by a CDM formulation. Volumetric swelling is treated in a similar way to thermal expansion in the constitutive relations. After validation and numerical checks, the damage model is used to analyze a simplified SOFC positive-electrode/electrolyte/negative-electrode (PEN) structure subjected a redox cycle in addition to thermomechanical loads experienced during normal operation of a SOFC stack.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗
DOE OSTI2022

Formation of 6H-Ba 3 Ce 0.75 Mn 2.25 O 9 during Thermochemical Reduction of 12R-Ba 4 CeMn 3 O 12 : Identification of a Polytype in the Ba(Ce,Mn)O 3 Family

The resurgence of interest in a hydrogen economy and the development of hydrogen-related technologies has initiated numerous research and development efforts aimed at making the generation, storage, and transportation of hydrogen more efficient and affordable. Solar thermochemical hydrogen production (STCH) is a process that potentially exhibits numerous benefits such as high reaction efficiencies, tunable thermodynamics, and continued performance over extended cycling. Although CeO 2 has been the de facto standard STCH material for many years, more recently 12R-Ba 4 CeMn 3 O 12 (BCM) has demonstrated enhanced hydrogen production at intermediate H 2 /H 2 O conditions compared to CeO 2 , making it a contender for large-scale hydrogen production. However, the thermo-reduction stability of 12R-BCM dictates the oxygen partial pressure (pO 2 ) and temperature conditions optimal for cycling. In this study, we identify the formation of a 6H-BCM polytype at high temperature and reducing conditions, experimentally and computationally, as a mechanism and pathway for 12R-BCM decomposition. 12R-BCM was synthesized with high purity and then controllably reduced using thermogravimetric analysis (TGA). Synchrotron X-ray diffraction (XRD) data is used to identify the formation of a 6H-Ba 3 Ce 0.75 Mn 2.25 O 9 (6H-BCM) polytype that is formed at 1350 degrees C under strongly reducing pO 2 . Density functional theory (DFT) total energy and defect calculations show a window of thermodynamic stability for the 6H-polytype consistent with the XRD results. These data provide the first evidence of the 6H-BCM polytype and could provide a mechanistic explanation for the superior water-splitting behaviors of 12R-BCM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗