Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Implicit dynamics”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Simulation of Unsteady Hypersonic Combustion Around Projectiles in an Expansion Tube

The temporal evolution of combustion flowfields established by the interaction between wedge-shaped bodies and explosive hydrogen-oxygen-nitrogen mixtures accelerated to hypersonic speeds in an expansion tube is investigated. The analysis is carried out using a fully implicit, time-accurate, computational fluid dynamics code that we developed recently for solving the Navier-Stokes equations for a chemically reacting gas mixture. The numerical results are compared with experimental data from the Stanford University expansion tube for two different gas mixtures at Mach numbers of 4.2 and 5.2. The experimental work showed that flow unstart occurred for the Mach 4.2 cases. These results are reproduced by our numerical simulations and, more significantly, the causes for unstart are explained. For the Mach 5.2 mixtures, the experiments and numerical simulations both produced stable combustion. However, the computations indicate that in one case the experimental data were obtained during the transient phase of the flow; that is, before steady state had been attained.

Yungster, S.↗
NASA NTRSDate not supplied

Extending an Economical Third-Order Inviscid Nodal-Gradient Cell-Centered Finite-Volume Method to Mixed-Element Grids

In this paper, we extend an economical third-order nodal-gradient cell-centered finite-volume method, originally developed for tetrahedral grids, to mixed-element grids. It is shown that the efficient quadratic interpolation formula essential to eliminating second derivatives from a third-order accurate discretization can be easily extended to an arbitrary cell type. For the surface flux integration, we consider a split-face approach, where a quadrilateral face is split into two triangles, and the third-order method for tetrahedra is directly applied. Also, we derive a second-derivative-free, high-order, volume quadrature formula for an arbitrary cell. Numerical results are presented for accuracy verification and applications with three-dimensional nontetrahedral grids.

Computational Fluid Dynamics↗
NASA NTRS1987

An L-U implicit multigrid algorithm for the three-dimensional Euler equations

An LU implicit multigrid scheme is developed for the calculation of three-dimensional transonic flow through rotating cascades. This numerical method solves the unsteady Euler equations of gas dynamics in a finite-volume form. The implicit scheme makes it possible to take a much larger time step than is normally permitted in most explicit schemes, while the multigrid method is incorporated to accelerate the convergence rate for steady state calculations. Using this method, computational storage requirements are comparable to those of explicit schemes, while operation counts are considerably less than those found in the more widely-used ADI schemes.

Yokota, Jeffrey W.↗
NASA NTRS2016

An Optimized Multicolor Point-Implicit Solver for Unstructured Grid Applications on Graphics Processing Units

In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.

Zubair, Mohammad↗
DOE OSTI2025

Snap-Through Buckling Pressure Prediction of Spherical Caps: A Comparison of Analytical, Implicit, and Explicit Methods

Snap-through buckling is a nonlinear and dynamic instability that occurs in curved shell structures such as domes, pressure vessels, and aerospace panels. Unlike classical linear buckling, it involves a sudden transition between equilibrium states caused by geometric nonlinearity and rapid strain-to-kinetic energy conversion (Timoshenko & Gere, 1961; Budiansky & Roth, 1962). This study investigates the snap-through behavior of thin spherical caps using both implicit and explicit solvers in ANSYS Workbench. While implicit analysis accurately captures quasi-static response, it struggles with convergence near instability. In contrast, explicit LS-DYNA simulation naturally handles the nonlinear dynamic event with minimal tuning and computational cost.

42 ENGINEERING↗
NASA NTRS1983

Shuttle booster separation aerodynamics

A wind tunnel test program of some complexity was used to define the aerodynamic forces exerted on the space shuttle solid rocket boosters and orbiter/external tank during staging. In these tests, problems associated with the use of up to three models in close proximity and with the need to simulate high pressure separation motor plumes were handled in a unique and effective manner. A new method was developed for efficiently organizing data which is a function of a large number of independent variables. Data derived from the test program drastically reduced previous estimates of aerodynamic uncertainties and allowed certification of the separation system at the design maximum staging dynamic pressure. Reduction of flight data has implicitly verified the staging aerodynamics data base and its associated uncertainties.

Mark K. Craig↗
NASA NTRS1988

Evolution of polar stratospheric clouds during the Antarctic winter

The occurrence of Polar Stratospheric Clouds (PSCs), initially inferred from satellite measurements of solar extinction, have now also been noted by the recent scientific expeditions in the Antarctic. The presence of such clouds in the Antarctic has been postulated to play a significant role in the depletion of ozone during the transition from winter to spring. The mechanisms suggested involve both dynamical and chemical processes which, explicity or implicitly, are associated with the ice particles constituting the PSCs. It is, thus, both timely and necessary to investigate the evolution of these clouds and ascertain the nature and magnitude of their influences on the state of the Antarctic stratosphere. To achieve these objectives, a detailed microphysical model of the processes governing the growth and sublimation of ice particles in the polar stratosphere was developed, based on the investigations of Ramaswamy and Detwiler. The present studies focus on the physical processes that occur at temperatures below those required for the onset of ice deposition from the vapor phase. Once these low temperatures are attained, the deposition of water vapor onto nucleation particles becomes extremely significant. First, the factors governing the magnitude of growth and the growth rate of ice particles at various altitudes are examined. Second, the ice phase mechanisms are examined in the context of a column model with altitudes ranging from 100 to 5 mb pressure levels. The column microphysical model was used to perform simulations of the cloud evolution, using the observed daily temperatures. The effect due to the growth of the particles on the radiation fields are also investigated using a one dimensional radiative transfer model. Specifically, the perturbations in the longwave cooling and that in the shortwave heating for the late winter/early spring time period are analyzed.

Ramaswamy, V.↗
NASA NTRS1985

On a class of TVD schemes for gas dynamic calculations

The purpose of this paper is to review a class of explicit and implicit second-order accurate Total Variation Diminishing (TVD) schemes and to show by numerical experiments, the performance of these schemes to the Euler equations of gas dynamics. The method of constructing these second-order accurate TVD schemes is sometimes known as the modified flux approach.

Yee, H. C.↗
DOE OSTI2025

Assessing the Effect of Explicit Polarizability on Models of Carbon Dioxide Solvation in Ionic Liquids

Ionic liquids are an important possible carbon capture material because of their anomalously high sorption selectivity for carbon dioxide over other gases common in air. Many research groups have investigated the molecular origins of this property and provided important insights, including using 1D and 2D-IR spectroscopy. Molecular dynamics simulations have been indispensable to the interpretation of these experiments. In prior molecular dynamics simulation work, charge-scaled force fields have typically been used to provide a mean-field treatment of effects vital to ionic liquid systems such as charge transfer and polarization. Here, we compare models of carbon dioxide solvated in ionic liquids with explicit polarization to models of the same with implicit polarizability through charge-scaling. We calculate structural, dynamical, and spectroscopic properties, and make comparisons to the same items measured in experiment. In this study, we focus on two ionic liquids: 1-butyl-3- methylimidazolium (BMIM + ) paired with bis(trifluoromethane sulfonyl imide) (Tf 2 N − ) and 1-butyl-3-methylimidazolium (BMIM+) paired with hexafluorophosphate (PF 6 − ). We find that many structural, dynamical, and spectroscopic properties are changed when polarization is modeled explicitly. We also find that explicit polarizability softens local ion cages around the carbon dioxide and that the long-time diffusion of the carbon dioxide is gated by the reorganization of the ionic liquid molecules. Comparisons to experiment show modest improvement of many observables compared with experiment for the explicitly polarizable model over the charge-scaled model. Overall, our results show that charge-scaled force fields are likely sufficient to compute spectroscopic properties of carbon dioxide in ionic liquids and suggest some interpretive rules for understanding their structural and dynamical properties. Those using charge-scaled force fields should generally assume that the ion cages around solutes such as carbon dioxide are too stiff and cation-rich in their models and adjust their interpretations and predictions accordingly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment

Force Field X (FFX) is an open-source software package for atomic resolution modeling of genetic variants and organic crystals that leverages advanced potential energy functions and experimental data. FFX currently consists of nine modular packages with novel algorithms that include global optimization via a many-body expansion, acid–base chemistry using polarizable constant-pH molecular dynamics, estimation of free energy differences, generalized Kirkwood implicit solvent models, and many more. Applications of FFX focus on the use and development of a crystal structure prediction pipeline, biomolecular structure refinement against experimental datasets, and estimation of the thermodynamic effects of genetic variants on both proteins and nucleic acids. The use of Parallel Java and OpenMM combines to offer shared memory, message passing, and graphics processing unit parallelization for high performance simulations. Overall, the FFX platform serves as a computational microscope to study systems ranging from organic crystals to solvated biomolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

WARP3D-Release 10.8: Dynamic Nonlinear Analysis of Solids using a Preconditioned Conjugate Gradient Software Architecture

This report describes theoretical background material and commands necessary to use the WARP3D finite element code. WARP3D is under continuing development as a research code for the solution of very large-scale, 3-D solid models subjected to static and dynamic loads. Specific features in the code oriented toward the investigation of ductile fracture in metals include a robust finite strain formulation, a general J-integral computation facility (with inertia, face loading), an element extinction facility to model crack growth, nonlinear material models including viscoplastic effects, and the Gurson-Tver-gaard dilatant plasticity model for void growth. The nonlinear, dynamic equilibrium equations are solved using an incremental-iterative, implicit formulation with full Newton iterations to eliminate residual nodal forces. The history integration of the nonlinear equations of motion is accomplished with Newmarks Beta method. A central feature of WARP3D involves the use of a linear-preconditioned conjugate gradient (LPCG) solver implemented in an element-by-element format to replace a conventional direct linear equation solver. This software architecture dramatically reduces both the memory requirements and CPU time for very large, nonlinear solid models since formation of the assembled (dynamic) stiffness matrix is avoided. Analyses thus exhibit the numerical stability for large time (load) steps provided by the implicit formulation coupled with the low memory requirements characteristic of an explicit code. In addition to the much lower memory requirements of the LPCG solver, the CPU time required for solution of the linear equations during each Newton iteration is generally one-half or less of the CPU time required for a traditional direct solver. All other computational aspects of the code (element stiffnesses, element strains, stress updating, element internal forces) are implemented in the element-by- element, blocked architecture. This greatly improves vectorization of the code on uni-processor hardware and enables straightforward parallel-vector processing of element blocks on multi-processor hardware.

Koppenhoefer, Kyle C.↗
NASA NTRS1975

Higher order accurate partial implicitization: An unconditionally stable fourth-order-accurate explicit numerical technique

The previously obtained second-order-accurate partial implicitization numerical technique used in the solution of fluid dynamic problems was modified with little complication to achieve fourth-order accuracy. The Von Neumann stability analysis demonstrated the unconditional linear stability of the technique. The order of the truncation error was deduced from the Taylor series expansions of the linearized difference equations and was verified by numerical solutions to Burger's equation. For comparison, results were also obtained for Burger's equation using a second-order-accurate partial-implicitization scheme, as well as the fourth-order scheme of Kreiss.

Graves, R. A., Jr.↗
NASA NTRS1982

Flight dynamics analysis and simulation of heavy lift airships. Volume 1: Executive summary

A generic, yet comprehensive mathematical model and computer simulation of the HLA flight dynamics over its entire flight envelope was developed. Implicit in this simulation development are the data reviews and analyses which support the equations of motion and the calculation of forces and moments acting on the vehicle. The simulation, HYBRDS, is addressed to the broad requirements and is intended for use as a synthesis and analysis tool for the evaluation of competing HLA design concepts.

Ringland, R. F.↗
NASA NTRS1984

An efficient approximate factorization implicit scheme for the equations of gasdynamics

An efficient implicit finite-difference algorithm for the gas dynamic equations utilizing matrix reduction techniques is presented. A significant reduction in arithmetic operations is achieved while maintaining the same favorable stability characteristics and generality found in the Beam and Warming approximate factorization algorithm. Steady-state solutions to the conservative Euler equations in generalized coordinates are obtained for transonic flows about a NACA 0012 airfoil. The theoretical extension of the matrix reduction technique to the full Navier-Stokes equations in Cartesian coordinates is presented in detail. Linear stability, using a Fourier stability analysis, is demonstrated and discussed for the one-dimensional Euler equations. It is shown that the method offers advantages over the conventional Beam and Warming scheme and can retrofit existing Beam and Warming codes with minimal effort.

Barth, T. J.↗
NASA NTRS1990

Thermal interaction between an impinging hot jet and a conducting solid surface

Powered-lift aircraft may produce severe high-temperature environments which are potentially damaging to a landing surface or the aircraft. The interaction betweean the high temperature flow field and a nonadiabatic landing surface is analyzed with a coupled computational fluid dynamics/solid thermal conduction computer code, HOTJET. The HOTJET code couples time-accurate, implicit, factored solution schemes for the governing fluid dynamics equations (Reynolds-averaged Navier-Stokes equations) to the unsteady thermal conduction equation, which governs heat flux within a solid. HOTJET is validated against exact solutions to the thermal conduction and Navier-Stokes equations. First-of-a-kind results are included which show the impact of surface material properties on the fluid physics and the coupled fluid/material thermal fields.

Abeloff, P. A.↗
NASA NTRS1998

Numerical Modeling of Physical Vapor Transport in Contactless Crystal Growth Geometry

Growth from the vapor under conditions of limited contact with the walls of the growth ampoule is beneficial for the quality of the growing crystal due to reduced stress and contamination which may be caused by interactions with the growth container. The technique may be of a particular interest for studies on crystal growth under microgravity conditions: elimination of some factors affecting the crystal quality may make interpretation of space-conducted processes more conclusive and meaningful. For that reason, and as a part of our continuing studies on 'contactless' growth technique, we have developed a computational model of crystal growth process in such system. The theoretical model was built, and simulations were performed using the commercial computational fluid dynamics code, (CFD) ACE. The code uses an implicit finite volume formulation with a gray discrete ordinate method radiation model which accounts for the diffuse absorption and reflection of radiation throughout the furnace. The three-dimensional model computes the heat transfer through the crystal, quartz, and gas both inside and outside the ampoule, and mass transport from the source to the crystal and the sink. The heat transport mechanisms by conduction, natural convection, and radiation, and mass transport by diffusion and convection are modeled simultaneously and include the heat of the phase transition at the solid-vapor interfaces. As the thermal boundary condition, temperature profile along the walls of the furnace is used. For different thermal profiles and furnace and ampoule dimensions, the crystal growth rate and development of the crystal-vapor and source-vapor interfaces (change of the interface shape and location with time) are obtained. Super/under-saturation in the ampoule is determined and critical factors determining the 'contactless' growth conditions are identified and discussed. The relative importance of the ampoule dimensions and geometry, the furnace dimensions and its temperature, and the properties of the grown material are analyzed. The results of the simulations are compared with related experimental results on growth of CdTe, CdZnTe, ZnTe, PbTe, and PbSnTe crystals by this technique.

Palosz, W.↗