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At least 433 records · Page 24

Towards and FVE-FAC Method for Determining Thermocapillary Effects on Weld Pool Shape

Several practical materials processes, e.g., welding, float-zone purification, and Czochralski crystal growth, involve a pool of molten metal with a free surface, with strong temperature gradients along the surface. In some cases, the resulting thermocapillary flow is vigorous enough to convect heat toward the edges of the pool, increasing the driving force in a sort of positive feedback. In this work we examine this mechanism and its effect on the solid-liquid interface through a model problem: a half space of pure substance with concentrated axisymmetric surface heating, where surface tension is strong enough to keep the liquid free surface flat. The numerical method proposed for this problem utilizes a finite volume element (FVE) discretization in cylindrical coordinates. Because of the axisymmetric nature of the model problem, the control volumes used are torroidal prisms, formed by taking a polygonal cross-section in the (r, z) plane and sweeping it completely around the z-axis. Conservation of energy (in the solid), and conservation of energy, momentum, and mass (in the liquid) are enforced globally by integrating these quantities and enforcing conservation over each control volume. Judicious application of the Divergence Theorem and Stokes' Theorem, combined with a Crank-Nicolson time-stepping scheme leads to an implicit algebraic system to be solved at each time step. It is known that near the boundary of the pool, that is, near the solid-liquid interface, the full conduction-convection solution will require extremely fine length scales to resolve the physical behavior of the system. Furthermore, this boundary moves as a function of time. Accordingly, we develop the foundation of an adaptive refinement scheme based on the principles of Fast Adaptive Composite Grid methods (FAC). Implementation of the method and numerical results will appear in a later report.

Canright, David↗

Design and piloted simulation evaluation of integrated flight/propulsion controls for STOVL aircraft

Integrated flight/propulsion control systems have been designed for operation of STOVL aircraft over the low speed powered-lift flight envelope. The control system employs command modes for attitude, flightpath angle and flightpath acceleration during transition, and translational velocity command for hover and vertical landing. The command modes and feedback control are implemented in the form of a state-rate feedback implicit model follower to achieve the desired flying qualities and to suppress the effects of external disturbances and variations in the aircraft characteristics over the low speed envelope. A nonlinear inverse system was used to translate the output from these commands and feedback control into commands for the various aerodynamic and propulsion control effectors that are employed in powered-lift flight. Piloted evaluations of these STOVL integrated control designs have been conducted on Ames Research Center's Vertical Motion Simulator to assess flying qualities over the low-speed flight envelope. Results indicate that Level 1 flying qualities are achieved with this control system concept for each of these low-speed operations over a wide range of wind, atmospheric turbulence, and visibility conditions.

Franklin, James A.↗

Solving Two-Equation Turbulence Models With a Perspective on Solving Transport Equations

There are three principal objectives of this report. The first objective is to investigate frequently used two-equation models when solving the RANS equations. In this study, we consider the 2006Wilcox and the 2003 Menter Shear Stress Transport (SST) models. Also, a simple change of the Wilcox model is introduced to improve computational predictions for transonic flows. Computations for flows over two different airfoils are examined to compare these turbulence models. Effects on modeling the physics of each flow due to variations in the models, such as using either strainrate or vorticity in the turbulence production term, are considered and discussed. The second objective of this report is to not only explore but also evaluate the performance of the solution algorithm for the mean flow and the transport equations. The RANS and turbulence modeling equations aresolved in a weakly coupled manner with a diagonal implicit Runge-Kutta (DIRK) solution algorithm. Throughout this report, emphasis is given to reducing the residuals to machine zero in all flow calculations, so as to eliminate the error due to numerical integration of the discrete governing equations. The final objective is to provide a perspective on solving transport equations for turbulence modeling. Aspects of solving such stiff systems of equations, as well as various numerical difficulties and possible techniques to overcome them, are considered. Discussion is also provided concerning what is called ’numerical compatibility’, which is an essential requirement when designing a solution algorithm for solving transport equations.

turbulence modeling↗

Staggered solution procedures for multibody dynamics simulation

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Park, K. C.↗

Effects of leading and trailing edge flaps on the aerodynamics of airfoil/vortex interactions

A numerical procedure has been developed for predicting the two-dimensional parallel interaction between a free convecting vortex and a NACA 0012 airfoil having leading and trailing edge integral-type flaps. Special emphasis is placed on the unsteady flap motion effects which result in alleviating the interaction at subcritical and supercritical onset flows. The numerical procedure described here is based on the implicit finite-difference solutions to the unsteady two-dimensional full potential equation. Vortex-induced effects are computed using the Biot-Savart Law with allowance for a finite core radius. The vortex-induced velocities at the surface of the airfoil are incorporated into the potential flow model via the use of the velocity transpiration approach. Flap motion effects are also modeled using the transpiration approach. For subcritical interactions, our results indicate that trailing edge flaps can be used to alleviate the impulsive loads experienced by the airfoil. For supercritical interactions, our results demonstrate the necessity of using a leading edge flap, rather than a trailing edge flap, to alleviate the interaction. Results for various time-dependent flap motions and their effect on the predicted temporal sectional loads, differential pressures, and the free vortex trajectories are presented

Hassan, Ahmed A.↗

Preliminary Design of a Ramjet for Integration with Ground-Based Launch Assist

This viewgraph presentation reviews the preliminary design of a ramjet for integration with a ground based launch assist. The reasons for the use of ground-based launch assist and the proposed mechanism for a system are reviewed. The use of a Optimal Trajectory by Implicit Simulation (OTIS), to model the flight and comparison with an actual rocket trajectory is given. The OTIS system is reviewed, The benefits of a launch assist system are analyzed concluding that a launch assist can provide supersonic speeds thus allowing ignition of ramjet without an onboard compressor. This means a further reduction in total launch weight. The Ramjet study is reviewed next. This included a review of the ONX simulations, the verification of the ONX results with the use of Holloman Sled experiment data as derived from the Feasibility of Ramjet Engine Test Capability on The Holloman AFB Sled Track. The conclusion was that the ONX system was not sufficient to meet the needs for the modeling required. The GECAT (Graphical Engine Cycle Analysis Tool) is examined. The results of the GECAT simulations was verified with data from Stataltex and D21 flights. The Next steps are: to create a GECAT Model of a launch assist ramjet, to adjust the geometry to produce the desired thrust, and to survey the ramjet's performance over a range of Mach numbers. The assumptions and requirements of a launch assist ramjet are given, and the acceptable flight regimes are reviewed.

Sayles, Emily L.↗

Solution of the Neumann pressure problem in general orthogonal coordinates using the multigrid technique

The multigrid (MG) technique has been advanced for use with Neumann boundary-value problems in clustered curvilinear orthogonal coordinates. This comprises an important step in the analysis of incompressible flow using the velocity-pressure formulation of the Navier-Stokes equations. The finite-difference representation of the problem and the formulation of the restriction and coarse-grid correction operators are examined in detail. Maintaining consistency between these and the integral constraint associated with the Neumann problem is found to be critical for the success of the MG technique. The influence of the smoothing operator is examined by employing Gauss-Seidel, alternating-direction implicit, and strongly implicit techniques. The MG procedure enhances the efficiency of fine-grid solutions of the Neumann problem by a factor of 3 to 14, depending on the type of smoothing operator employed and the values of the problem parameters.

Ghia, U.↗

Numerical simulation of the integrated space shuttle vehicle in ascent

A simulation of the flow about the integrated space shuttle vehicle in ascent mode has been undertaken for various flight conditions using the Chimera composite grid discretization approach. Overset body-conforming grids were used to represent each geometric component, and an implicit approximately factored finite-difference procedure was used to solve the three-dimensional thin-layer Navier-Stokes equations. The computational results have been compared with both wind tunnel and flight test data. Although relatively good agreement is obtained with the experimental data, further refinement and evaluation of numerical error is under way.

Buning, P. G.↗

Asymptotic integration algorithms for nonhomogeneous, nonlinear, first order, ordinary differential equations

New methods for integrating systems of stiff, nonlinear, first order, ordinary differential equations are developed by casting the differential equations into integral form. Nonlinear recursive relations are obtained that allow the solution to a system of equations at time t plus delta t to be obtained in terms of the solution at time t in explicit and implicit forms. Examples of accuracy obtained with the new technique are given by considering systems of nonlinear, first order equations which arise in the study of unified models of viscoplastic behaviors, the spread of the AIDS virus, and predator-prey populations. In general, the new implicit algorithm is unconditionally stable, and has a Jacobian of smaller dimension than that which is acquired by current implicit methods, such as the Euler backward difference algorithm; yet, it gives superior accuracy. The asymptotic explicit and implicit algorithms are suitable for solutions that are of the growing and decaying exponential kinds, respectively, whilst the implicit Euler-Maclaurin algorithm is superior when the solution oscillates, i.e., when there are regions in which both growing and decaying exponential solutions exist.

Walker, K. P.↗

Wing flutter boundary prediction using unsteady Euler aerodynamic method

Modifications to an existing 3D implicit upwind Euler/Navier-Stokes code for the aeroelastic analysis of wings are described. These modifications include the incorporation of a deforming mesh algorithm and the addition of the structural equations of motion for their simultaneous time-integration with the governing flow equations. The paper gives a brief description of these modifications and presents unsteady calculations which check the modifications to the code. Euler flutter results for an isolated 45 deg swept-back wing are compared with experimental data for seven freestream Mach numbers which define the flutter boundary over a range of Mach number from 0.499 to 1.14. These comparisons show good agreement in flutter characteristics for freestream Mach numbers below unity. For freestream Mach numbers above unity, the computed aeroelastic results predict a premature rise in the flutter boundary as compared with the experimental boundary. Steady and unsteady contours of surface Mach number and pressure are included to illustrate the basic flow characteristics of the time-marching flutter calculations and to aid in identifying possible causes for the premature rise in the computational flutter boundary.

Lee-Rausch, Elizabeth M.↗

The role of surface forces in environment-enhanced cracking of brittle solids

Fracture initiation and propagation in brittle materials is promoted in surface-reactive (sorptive) environments, a phenomenon known as subcritical crack growth (SCG). Laboratory measured crack-propagation velocity vs. stress intensity factor relationships typically exhibit highly nonlinear, multi-stage characteristics that are sensitive to environmental factors such as adsorbate concentration and temperature. For practical purposes, empirical relationships (e.g., a power law) have been used to describe this complex phenomenon. However, how the overall SCG behavior emerges from the underlying fundamental processes near the crack tip, such as the interaction of the crack surfaces separated by only a few nanometers and mass transport within the nano-confined space, is still not well understood. This paper develops a mechanistic, surface-force-based fracture theory (SFFT) which integrates surface force models, fluid transport models, and linear elastic fracture mechanics to quantitatively explain the multi-stage characteristics of SCG in brittle solids. A numerical model is developed based on SFFT and solved through an implicit partitioned scheme for efficiency and modularity. The results are validated by Wiederhorn's data on crack propagation in soda-lime glasses at a wide range of relative humidity levels. We show that, for the first time, the entire range of an SCG curve can be captured by a single physics-based model. The predicted SCG curves reveal that the development of repulsive disjoining pressure behind the crack tip can be responsible for the reduced apparent fracture toughness in a sorptive environment. In conclusion, the shape of the SCG curve, and its changes with respect to the environment, is found to critically depend on the assumed transport models.

36 MATERIALS SCIENCE↗

Correction to “Ruthenium Dye Excitations and Relaxations in Natural Sunlight”

An error in computing the optical rate coefficients for dye RuP was discovered in Table S4 of the Supporting Information Section S8 Model S? for this article, published in J. Phys. Chem. A, 2021, 125, 4365-4372, 10.1021/acs.jpca.1c02386. The optical rate coefficients include absorption, stimulated emission, and ground-state bleach associated with the ground state and the singlet and triplet excited states as well as for the excited-state absorption between the excited states and implicit higher-energy excited states. The optical rate coefficients for continuous solar irradiance were computed using eq 3 of the main text in which the product of the individual signal components and the solar spectrum are integrated and multiplied by the fundamental optical rate coefficient. We determined the incorrect signal components were used for RuP in the published Supporting Information Table S4. The corrected Table S4 column for RuP is presented with the reported values from the original paper in the corrected Supporting Information. New simulations have been performed using the corrected values, and the results were used to update Figures 5 and 6 and also Figure S9 in the corrected Supporting Information. The published conclusions are unchanged. The populations of RuP excited states, Figure 5, are only marginally smaller, which should be expected with minor changes to the optical rate coefficients. There is not a significant change in the results for the number of radiative and nonradiative interactions per dye per second (the optical transitions and nonradiative transitions increased, respectively, by approximately 2% and 10%, Figure 6A). The occurrence of excited-state absorption (ESA) and excited-state emission (ESE) events, Figure 6C, both decreased from the original simulation results by 20% and 33%. The most notable difference is exhibited in Figure 6B; the fraction of population moving from the lowest-energy singlet state (i.e., intersystem crossing or ultrafast nonradiative relaxation) and nonradiative relaxation from the triplet state have decreased from ~0.45 to ~0.4 and increased from ~0.35 to ~0.4, respectively..

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving the Performance of NEML2 with Modern Graph Compilation Backends

NEML2 vectorizes constitutive-model evaluation for large-scale multiphysics simulation, using PyTorch as its tensor backend so that a batch of material-point updates runs on CPU or GPU through a single implementation. In the two prior reports in this series it was a C++-native library, deployed through TorchScript tracing and just-in-time (JIT) compilation; it has since been rewritten from the ground up into a Python-native library deployed through Ahead-of-Time Inductor (AOTInductor), a modern PyTorch graph-compilation backend. The rewrite is driven by a persistent tension, not a language preference: NEML2 composes constitutive models at runtime from a registry of small, independently-authored pieces, and that flexibility is difficult to reconcile with the compile-time knowledge an efficient GPU kernel needs. This report documents the rewrite and the investment that accompanied it: the AOTInductor export pipeline that turns a Python-authored model into a portable, Python-free compiled artifact loadable from pure C++; the eager and compiled runtimes and the new implicit solver layer built on them; a head-to-head benchmark of legacy JIT against AOTInductor; the physics-model catalog and its worked examples; the developer tooling; and the corresponding overhaul of MOOSE’s NEML2 integration that lets MOOSE consume it. A central objective is to examine whether modern PyTorch graph-compilation backends are effective for MOOSE GPU integration. The benchmark answers directly: AOTInductor outperforms legacy JIT on every GPU scenario measured, by 1.0–4.5×. Modern graph-compilation backends are effective for MOOSE GPU integration, and AOTInductor specifically – not compilation in the abstract – is why.

Hu, Gary (Tianchen) [Argonne National Laboratory (↗

Development of mixed time partition procedures for thermal analysis of structures

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. This proposed methodology would be readily adaptable to existing computer programs for structural thermal analysis.

Liu, W. K.↗

Geometrically derived difference formulae for the numerical integration of trajectory problems

The term 'trajectory problem' is taken to include problems that can arise, for instance, in connection with contour plotting, or in the application of continuation methods, or during phase-plane analysis. Geometrical techniques are used to construct difference methods for these problems to produce in turn explicit and implicit circularly exact formulae. Based on these formulae, a predictor-corrector method is derived which, when compared with a closely related standard method, shows improved performance. It is found that this latter method produces spurious limit cycles, and this behavior is partly analyzed. Finally, a simple variable-step algorithm is constructed and tested.

Mcleod, R. J. Y.↗

Task oriented nonlinear control laws for telerobotic assembly operations

The goal of this research is to achieve very intelligent telerobotic controllers which are capable of receiving high-level commands from the human operator and implementing them in an adaptive manner in the object/task/manipulator workspace. Initiatives by the authors at Integrated Systems, Inc. to identify and develop the key technologies necessary to create such a flexible, highly programmable, telerobotic controller are presented. The focus of the discussion is on the modeling of insertion tasks in three dimensions and nonlinear implicit force feedback control laws which incorporate tool/workspace constraints. Preliminary experiments with dual arm beam assembly in 2-D are presented.

Walker, R. A.↗

Integral solution of unsteady full-potential equation for a transonic pitching airfoil

The unsteady full-potential equation formulation in a moving frame of reference has been has been developed and used to solve unsteady transonic flow problems. An unsteady integral-equation shock-capturing (IE-SC) scheme has been developed. The resulting unsteady IE-SC scheme is applied to a NACA 0012 airfoil undergoing a pitching oscillation. The numerical results are compared with those of an implicit, approximately factored, finite-volume Euler scheme. The present scheme is efficient in terms of the number of iterations as compared to the other existing schemes, which use finite-difference or finite-volume methods.

Kandil, Osama A.↗

Precision of Sensitivity in the Design Optimization of Indeterminate Structures

Design sensitivity is central to most optimization methods. The analytical sensitivity expression for an indeterminate structural design optimization problem can be factored into a simple determinate term and a complicated indeterminate component. Sensitivity can be approximated by retaining only the determinate term and setting the indeterminate factor to zero. The optimum solution is reached with the approximate sensitivity. The central processing unit (CPU) time to solution is substantially reduced. The benefit that accrues from using the approximate sensitivity is quantified by solving a set of problems in a controlled environment. Each problem is solved twice: first using the closed-form sensitivity expression, then using the approximation. The problem solutions use the CometBoards testbed as the optimization tool with the integrated force method as the analyzer. The modification that may be required, to use the stiffener method as the analysis tool in optimization, is discussed. The design optimization problem of an indeterminate structure contains many dependent constraints because of the implicit relationship between stresses, as well as the relationship between the stresses and displacements. The design optimization process can become problematic because the implicit relationship reduces the rank of the sensitivity matrix. The proposed approximation restores the full rank and enhances the robustness of the design optimization method.

Patnaik, Surya N.↗