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At least 253 records · Page 14

HTR-1.3 solver: Predicting electrified combustion using the hypersonic task-based research solver

Here this manuscript presents an updated open-source version of the Hypersonics Task-based Research (HTR) solver. The solver, whose main features are presented in Di Renzo et al. (2020) and Di Renzo & Pirozzoli (2021), is designed for direct numerical simulation of reacting flows at high Reynolds numbers. This new version extends the applications of the HTR solver to turbulent combustion in the presence of external electric fields. In particular, a new distributed Poisson solver compatible with heterogeneous architectures has been incorporated in the algorithm to compute the electric potential distribution in bi-periodic configurations. The drift fluxes of the electrically charged species are now included in the transport equations using a targeted essentially non-oscillatory scheme. A verification of these new features of the solver is provided using one-dimensional burner stabilized flames, whereas a three dimensional turbulent flame is utilized to discuss the scalability of the proposed numerical tool.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-order partitioned spectral deferred correction solvers for multiphysics problems

We present an arbitrarily high-order, conditionally stable, partitioned spectral deferred correction (SDC) method for solving multiphysics problems using a sequence of pre-existing single-physics solvers. This method extends the work in [1], [2], which used implicit-explicit Runge-Kutta methods (IMEX) to build high-order, partitioned multiphysics solvers. We consider a generic multiphysics problem modeled as a system of coupled ordinary differential equations (ODEs), coupled through coupling terms that can depend on the state of each subsystem; therefore the method applies to both a semi-discretized system of partial differential equations (PDEs) or problems naturally modeled as coupled systems of ODEs. The sufficient conditions to build arbitrarily high-order partitioned SDC schemes are derived. Based on these conditions, various of partitioned SDC schemes are designed. The stability of the first-order partitioned SDC scheme is analyzed in detail on a coupled, linear model problem. We show that the scheme is conditionally stable, and under conditions on the coupling strength, the scheme can be unconditionally stable. We demonstrate the performance of the proposed partitioned solvers on several classes of multiphysics problems with moderate coupling strength. They include a stiff linear system of ODEs, advection-diffusion-reaction systems, and fluid-structure interaction problems with both incompressible and compressible flows, where we verify the design order of the SDC schemes and study various stability properties. We also directly compare the accuracy, stability, and cost of the proposed partitioned SDC solver with the partitioned IMEX method in [1], [2] on this suite of test problems. The results suggest that the high-order partitioned SDC solvers are more robust than the partitioned IMEX solvers for the numerical examples considered in this work, while the IMEX methods require fewer implicit solves.

97 MATHEMATICS AND COMPUTING↗

Computation of the flow field in a centrifugal impeller with splitter blades

To support the design effort of the Space Transportation Main Engine (STME) Fuel Pump Stage, viscous flow calculations were performed in a centrifugal impeller with splitter blades. These calculations were carried out with a Navier-Stokes solver (MINT), which employs a linearized block-implicit Alternating Direction Implicit (ADI) procedure to iteratively solve a finite difference form of the system of conservation equations of mass, momentum, and energy in body-fitted coordinates. A computational grid was generated algebraically for the 'channel' between two main blades of the impeller and extended both upstream of the impeller inlet and downstream of the impeller exit so that the appropriate boundary conditions could be applied. The results of the calculations show that although the overall level of flow distortion near the impeller exit is not very large, there is a noticeable difference between the flow patterns in the two 'passages' (one passage between the pressure side of the splitter blade and the suction side of the next full blade).

Dejong, Frederik J.↗

Computation of wave propagation in a complex flow

A numerical method has been developed in order to address aeroacoustic problems modeled by the linearized Euler equations. A weak formulation of the equations leads to a time-dependent equation for the test functions. The basic solver being one dimensional, two dimensional problems are handled by directional splitting. This method shows low dissipation and dispersion errors.

Lafon, Philippe↗

Integrated CFD and Controls Analysis Interface for High Accuracy Liquid Propellant Slosh Predictions

Coupling computational fluid dynamics (CFD) with a controls analysis tool elegantly allows for high accuracy predictions of the interaction between sloshing liquid propellants and the control system of a launch vehicle. Instead of relying on mechanical analogs which are n0t va lid during all stages of flight, this method allows for a direct link between the vehicle dynamic environments calculated by the solver in the controls analysis tool to the fluid now equations solved by the CFD code. This paper describes such a coupling methodology, presents the results of a series of test cases, and compares said results against equivalent results from extensively validated tools. The coupling methodology, described herein, has proven to be highly accurate in a variety of different cases.

Marsell, Brandon↗

Autorotation flight control system

The present invention provides computer implemented methodology that permits the safe landing and recovery of rotorcraft following engine failure. With this invention successful autorotations may be performed from well within the unsafe operating area of the height-velocity profile of a helicopter by employing the fast and robust real-time trajectory optimization algorithm that commands control motion through an intuitive pilot display, or directly in the case of autonomous rotorcraft. The algorithm generates optimal trajectories and control commands via the direct-collocation optimization method, solved using a nonlinear programming problem solver. The control inputs computed are collective pitch and aircraft pitch, which are easily tracked and manipulated by the pilot or converted to control actuator commands for automated operation during autorotation in the case of an autonomous rotorcraft. The formulation of the optimal control problem has been carefully tailored so the solutions resemble those of an expert pilot, accounting for the performance limitations of the rotorcraft and safety concerns.

Bachelder, Edward N.↗

High Accuracy Liquid Propellant Slosh Predictions Using an Integrated CFD and Controls Analysis Interface

Coupling computational fluid dynamics (CFD) with a controls analysis tool elegantly allows for high accuracy predictions of the interaction between sloshing liquid propellants and th e control system of a launch vehicle. Instead of relying on mechanical analogs which are not valid during aU stages of flight, this method allows for a direct link between the vehicle dynamic environments calculated by the solver in the controls analysis tool to the fluid flow equations solved by the CFD code. This paper describes such a coupling methodology, presents the results of a series of test cases, and compares said results against equivalent results from extensively validated tools. The coupling methodology, described herein, has proven to be highly accurate in a variety of different cases.

Marsell, Brandon↗

mesoflow [SWR-22-56]

Mesoflow is a continuum scale simulation tool developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex surface morphologies (of catalysts/biomass particles among others) directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPU) compared to a single processor for representative problem sizes (2 million cell mesh).

Sitaraman, Hariswaran↗

Directional Agglomeration Multigrid Techniques for High-Reynolds Number Viscous Flows

A preconditioned directional-implicit agglomeration algorithm is developed for solving two- and three-dimensional viscous flows on highly anisotropic unstructured meshes of mixed-element types. The multigrid smoother consists of a pre-conditioned point- or line-implicit solver which operates on lines constructed in the unstructured mesh using a weighted graph algorithm. Directional coarsening or agglomeration is achieved using a similar weighted graph algorithm. A tight coupling of the line construction and directional agglomeration algorithms enables the use of aggressive coarsening ratios in the multigrid algorithm, which in turn reduces the cost of a multigrid cycle. Convergence rates which are independent of the degree of grid stretching are demonstrated in both two and three dimensions. Further improvement of the three-dimensional convergence rates through a GMRES technique is also demonstrated.

Mavriplis, Dimitri J.↗

Enabling attractive-repulsive potentials in binary-collision-approximation monte-carlo codes for ion-surface interactions

Abstract Binary Collision Approximation (BCA) codes for ion-material interactions, such as SRIM, Tridyn, F-TRIDYN, and SDtrimSP, have historically been limited to screened Coulomb potentials even at low energies due to the difficulty in numerically solving the Distance of Closest Approach (DOCA) problem for attractive-repulsive potentials. Techniques such as direct n-body simulation or modifications to Newton’s method are either prohibitively costly or not guaranteed to work for all potentials. Advanced rootfinding techniques, such as companion matrix solvers, offer a solution. For many attractive-repulsive potentials, however, a companion matrix cannot be used directly, because there is no way to put the associated functions into a monomial basis form. A complementary technique is proxy rootfinding—by finding the best-fit polynomial approximant of a function, the zeros of the approximant can be guaranteed to be close to the zeros of the function. Using the Chebyshev basis and grid offers additional guarantees with regards to the quality of the approximation, the speed of convergence, and the avoidance of Runge’s phenomenon. By finding Chebyshev interpolants and using the Chebyshev-Frobenius companion matrix, the zeros of any real function on a bounded domain can be found. Here we show that using an Adaptive Chebyshev Proxy Rootfinder with Automatic Subdivision (ACPRAS) with appropriate scaling functions, numerical issues presented by attractive-repulsive potentials, including those of scale, can be handled. Using these techniques, we show that it is possible to include any physically reasonable interatomic potential in a BCA code, and to guarantee correctness of the resulting scattering angle calculations.

Materials Science↗

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Magnetic tunnel junction random number generators applied to dynamically tuned probability trees driven by spin orbit torque

Abstract Perpendicular magnetic tunnel junction (pMTJ)-based true-random number generators (RNGs) can consume orders of magnitude less energy per bit than CMOS pseudo-RNGs. Here, we numerically investigate with a macrospin Landau–Lifshitz-Gilbert equation solver the use of pMTJs driven by spin–orbit torque to directly sample numbers from arbitrary probability distributions with the help of a tunable probability tree. The tree operates by dynamically biasing sequences of pMTJ relaxation events, called ‘coinflips’, via an additional applied spin-transfer-torque current. Specifically, using a single, ideal pMTJ device we successfully draw integer samples on the interval [0, 255] from an exponential distribution based on p -value distribution analysis. In order to investigate device-to-device variations, the thermal stability of the pMTJs are varied based on manufactured device data. It is found that while repeatedly using a varied device inhibits ability to recover the probability distribution, the device variations average out when considering the entire set of devices as a ‘bucket’ to agnostically draw random numbers from. Further, it is noted that the device variations most significantly impact the highest level of the probability tree, with diminishing errors at lower levels. The devices are then used to draw both uniformly and exponentially distributed numbers for the Monte Carlo computation of a problem from particle transport, showing excellent data fit with the analytical solution. Finally, the devices are benchmarked against CMOS and memristor RNGs, showing faster bit generation and significantly lower energy use.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Taasan, Shlomo↗

HPF Implementation of ARC3D

We present an HPF (High Performance Fortran) implementation of ARC3D code along with the profiling and performance data on SGI Origin 2000. Advantages and limitations of HPF as a parallel programming language for CFD applications are discussed. For achieving good performance results we used the data distributions optimized for implementation of implicit and explicit operators of the solver and boundary conditions. We compare the results with MPI and directive based implementations.

Frumkin, Michael↗

Development of an Aerodynamic Analysis Method and Database for the SLS Service Module Panel Jettison Event Utilizing Inviscid CFD and MATLAB

This paper describes the development, testing, and utilization of an aerodynamic force and moment database for the Space Launch System (SLS) Service Module (SM) panel jettison event. The database is a combination of inviscid Computational Fluid Dynamic (CFD) data and MATLAB code written to query the data at input values of vehicle/SM panel parameters and return the aerodynamic force and moment coefficients of the panels as they are jettisoned from the vehicle. The database encompasses over 5000 CFD simulations with the panels either in the initial stages of separation where they are hinged to the vehicle, in close proximity to the vehicle, or far enough from the vehicle that body interference effects are neglected. A series of viscous CFD check cases were performed to assess the accuracy of the Euler solutions for this class of problem and good agreement was obtained. The ultimate goal of the panel jettison database was to create a tool that could be coupled with any 6-Degree-Of-Freedom (DOF) dynamics model to rapidly predict SM panel separation from the SLS vehicle in a quasi-unsteady manner. Results are presented for panel jettison simulations that utilize the database at various SLS flight conditions. These results compare favorably to an approach that directly couples a 6-DOF model with the Cart3D Euler flow solver and obtains solutions for the panels at exact locations. This paper demonstrates a method of using inviscid CFD simulations coupled with a 6-DOF model that provides adequate fidelity to capture the physics of this complex multiple moving-body panel separation event.

Applebaum, Michael P.↗

Enhancing Scalability for FUN3D Rotorcraft Simulations with Yoga: an Overset Grid Assembler

FUN3D, an unstructured grid Navier-Stokes CFD code is capable of overset grid simu- lations, but does not have an internal method for assembling an overset grid system from a group of component grids. FUN3D currently relies on the third party codes Suggar++ and DiRTlib to perform domain assembly and provide intergrid connectivity for overset simulations. Rotorcraft simulations with moving, deforming blades require domain assembly and mesh deformation at each time step. For these simulations, the three primary drivers of computational cost for each time step are: deforming the mesh, performing domain assembly, and performing subiterations of the flow solver. FUN3D exhibits strong and weak scalability for the flow solver subiterations and the mesh deformation. However, FUN3D is currently hardwired directly to the serial version of Suggar++, which has a fixed cost for a given mesh system. Therefore, domain assembly begins to dominate the total cost of each time step as grid systems become larger. An integrated method for parallel domain assembly is presented that addresses scalability for large grid systems. Restructuring within FUN3D to accommodate integrated domain assembly is also discussed, which could enable use of the parallel Suggar++ library.

Cameron T Druyor↗

Dynamic Stability Methodologies and Capabilities

The topic of this presentation is a multi-center effort to improve the undersanding and characterization of dynamic stability. An assessment of existing experimental and computational tools for characterizing dynamic stability will be discussed. Current state-of-the-art experimental techniques, and known gaps/overlaps between facilities is presented. Finally, advancements in computational capabilities under the direction of ESM is presenting using the Free-Flight CFD solver within US3D.

Joseph Brock↗

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗