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Gaussian process hydrodynamics

Abstract We present a Gaussian process (GP) approach, called Gaussian process hydrodynamics (GPH) for approximating the solution to the Euler and Navier-Stokes (NS) equations. Similar to smoothed particle hydrodynamics (SPH), GPH is a Lagrangian particle-based approach that involves the tracking of a finite number of particles transported by a flow. However, these particles do not represent mollified particles of matter but carry discrete/partial information about the continuous flow. Closure is achieved by placing a divergence-free GP prior ξ on the velocity field and conditioning it on the vorticity at the particle locations. Known physics (e.g., the Richardson cascade and velocity increment power laws) is incorporated into the GP prior by using physics-informed additive kernels. This is equivalent to expressing ξ as a sum of independent GPs ξ l , which we call modes, acting at different scales (each mode ξ l self-activates to represent the formation of eddies at the corresponding scales). This approach enables a quantitative analysis of the Richardson cascade through the analysis of the activation of these modes, and enables us to analyze coarse-grain turbulence statistically rather than deterministically. Because GPH is formulated by using the vorticity equations, it does not require solving a pressure equation. By enforcing incompressibility and fluid-structure boundary conditions through the selection of a kernel, GPH requires significantly fewer particles than SPH. Because GPH has a natural probabilistic interpretation, the numerical results come with uncertainty estimates, enabling their incorporation into an uncertainty quantification (UQ) pipeline and adding/removing particles (quanta of information) in an adapted manner. The proposed approach is suitable for analysis because it inherits the complexity of state-of-the-art solvers for dense kernel matrices and results in a natural definition of turbulence as information loss. Numerical experiments support the importance of selecting physics-informed kernels and illustrate the major impact of such kernels on the accuracy and stability. Because the proposed approach uses a Bayesian interpretation, it naturally enables data assimilation and predictions and estimations by mixing simulation data and experimental data.

Mathematics↗

Modeling of melting and erosion in high velocity microparticle impacts

High velocity collisions can cause melting, a situation involving elasticity, plasticity, and phase transformations in tandem, which is very challenging for mechanical modeling. Here, this paper advances the use of smoothed particle hydrodynamics (SPH) simulations for this complex situation, investigating stainless steel microspheres impacting a tin substrate. After extensive validation against a range of mechanical and geometrical measurements of experimental impacts, the model provides a detailed, quantitative view of melt volume production over a broad range of impact velocities. It also enables direct decomposition of the impact energy partitioning, including analysis of the energy absorbed by plasticity in the impactor, the system kinetic energy, and the adiabatic heating of the substrate in addition to the melting itself. Since these quantities are not available experimentally, SPH modeling substantially enhances the quantitative understanding of such impacts. Finally, the model speaks to the phase characteristics of the ejecta formed during impact, confirming the experimental inference that the ejected material likely contains a significant fraction of solid material.

Constitutive modeling↗

Structural uniformity and compositional homogeneity of solid-phase alloyed rod

Solid-phase processes have emerged as an alternative to fusion-based alloying to avoid coarse microstructures, undesirable phase formation, and high energy consumption. However, achieving uniform distribution of alloying elements during friction-based processing remains challenging due to highly heterogeneous thermomechanical conditions. This work evaluates the structural uniformity and compositional homogeneity of Al–Cu–Zn alloyed rods produced by friction extrusion (FE) and establishes the role of the rotational speed to feed rate ratio (N/V) on alloying effectiveness. A systematic matrix of FE experiments was conducted at constant extrusion ratio with N/V values ranging from 3.7 to 300. Compositional uniformity was assessed along the rod length (ICP-OES), in three dimensions (X-ray computed tomography), and at the microscale (SEM–EDS), supported by a gray-level co-occurrence matrix (GLCM)–based homogeneity metric. Smoothed particle hydrodynamics (SPH) simulations were used to reveal material flow and thermomechanical fields. Results show that N/V = 100 produces a high-shear mixing zone that eliminates the unmixed core and enables near-full dissolution and dispersion of Cu and Zn. At lower N/V, a laminar flow region persists at the rod center, causing segregation and large composition gradients. The combined experimental–computational analysis provides mechanistic insight into the transition from fragmented particle dispersion to thermomechanically assisted metallurgical mixing. This study establishes processing–structure relationships for solid-phase alloying and provides guidance for achieving homogenized compositions comparable to wrought alloys via rapid, scalable FE processing.

Aluminum↗

Bifurcation of equilibrium positions for ellipsoidal particles in inertial shear flows between two walls

We conducted a systematic numerical investigation of spherical, prolate and oblate particles in an inertial shear flow between two parallel walls, using smoothed particle hydrodynamics (SPH). It was previously shown that above a critical Reynolds number, spherical particles experience a supercritical pitchfork bifurcation of the equilibrium position in shear flow between two parallel walls, namely that the central equilibrium position becomes unstable, leading to the emergence of two new off-centre stable positions (Foxet al.,J. Fluid Mech., vol. 915, 2021). This phenomenon was unexpected given the symmetry of the system. In addition to confirming this finding, we found, surprisingly, that ellipsoidal particles can also return to the centre position from the off-centre positions when the particle Reynolds number is further increased, while spherical particles become unstable under this increased Reynolds number. By utilizing both SPH and the finite element method for flow visualization, we explained the underlining mechanism of this reverse of bifurcation by altered streamwise vorticity and symmetry breaking of pressure. Furthermore, we expanded our investigation to include asymmetric particles, a novel aspect that had not been previously modelled, and we observed similar trends in particle dynamics for both symmetric and asymmetric ellipsoidal particles. While further validation through laboratory experiments is necessary, our research paves the road for development of new focusing and separation methods for shaped particles.

Mechanics↗

Bipolar planetary nebulae from outflow collimation by common envelope evolution

ABSTRACT The morphology of bipolar planetary nebulae (PNe) can be attributed to interactions between a fast wind from the central engine and the dense toroidal-shaped ejecta left over from common envelope (CE) evolution. Here we use the 3D hydrodynamic adaptive mesh refinement (AMR) code AstroBEAR to study the possibility that bipolar PN outflows can emerge collimated even from an uncollimated spherical wind in the aftermath of a CE event. The output of a single CE simulation via the smoothed particle hydrodynamics (SPH) code phantom serves as the initial conditions. Four cases of winds, all with high enough momenta to account for observed high momenta pre-PN outflows, are injected spherically from the region of the CE binary remnant into the ejecta. We compare cases with two different momenta and cases with no radiative cooling versus application of optically thin emission via a cooling curve to the outflow. Our simulations show that in all cases highly collimated bipolar outflows result from deflection of the spherical wind via the interaction with the CE ejecta. Significant asymmetries between the top and bottom lobes are seen in all cases. The asymmetry is strongest for the lower momentum case with radiative cooling. While real post-CE winds may be aspherical, our models show that collimation via ‘inertial confinement’ will be strong enough to create jet-like outflows even beginning with maximally uncollimated drivers. Our simulations reveal detailed shock structures in the shock-focused inertial confinement (SFIC) model and develop a lens-shaped inner shock that is a new feature of SFIC-driven bipolar lobes.

79 ASTRONOMY AND ASTROPHYSICS↗

Attribute-Aware RBFs: Interactive Visualization of Time Series Particle Volumes Using RT Core Range Queries

Smoothed-particle hydrodynamics (SPH) is a mesh-free method used to simulate volumetric media in fluids, astrophysics, and solid mechanics. Visualizing these simulations is problematic because these datasets often contain millions, if not billions of particles carrying physical attributes and moving over time. Radial basis functions (RBFs) are used to model particles, and overlapping particles are interpolated to reconstruct a high-quality volumetric field; however, this interpolation process is expensive and makes interactive visualization difficult. Existing RBF interpolation schemes do not account for color-mapped attributes and are instead constrained to visualizing just the density field. To address these challenges, we exploit ray tracing cores in modern GPU architectures to accelerate scalar field reconstruction. We use a novel RBF interpolation scheme to integrate per-particle colors and densities, and leverage GPU-parallel tree construction and refitting to quickly update the tree as the simulation animates over time or when the user manipulates particle radii. We also propose a Hilbert reordering scheme to cluster particles together at the leaves of the tree to reduce tree memory consumption. Finally, we reduce the noise of volumetric shadows by adopting a spatially temporal blue noise sampling scheme. Our method can provide a more detailed and interactive view of these large, volumetric, time-series particle datasets than traditional methods, leading to new insights into these physics simulations.

Particle Volumes↗

pnnl/lpNNPS4SPH

Low precision-based nearest neighboring particle searching algorithm.This work introduces a computationally efficient Nearest Neighbor Particles Searching (NNPS) algorithm tailored for the meshfree Smoothed Particle Hydrodynamics (SPH) method in large-deformation problems simulations. The innovation lies in the strategic use of low-precision float-point 16 (FP16) in NNPS for efficiency purpose.

Mao, Zirui↗

Enabling particle applications for exascale computing platforms

The Exascale Computing Project (ECP) is invested in co-design to assure that key applications are ready for exascale computing. Within ECP, the Co-design Center for Particle Applications (CoPA) is addressing challenges faced by particle-based applications across four “sub-motifs”: short-range particle–particle interactions (e.g., those which often dominate molecular dynamics (MD) and smoothed particle hydrodynamics (SPH) methods), long-range particle–particle interactions (e.g., electrostatic MD and gravitational N-body), particle-in-cell (PIC) methods, and linear-scaling electronic structure and quantum molecular dynamics (QMD) algorithms. Our crosscutting co-designed technologies fall into two categories: proxy applications (or “apps”) and libraries. Proxy apps are vehicles used to evaluate the viability of incorporating various types of algorithms, data structures, and architecture-specific optimizations and the associated trade-offs; examples include ExaMiniMD, CabanaMD, CabanaPIC, and ExaSP2. Libraries are modular instantiations that multiple applications can utilize or be built upon; CoPA has developed the Cabana particle library, PROGRESS/BML libraries for QMD, and the SWFFT and fftMPI parallel FFT libraries. Success is measured by identifiable “lessons learned” that are translated either directly into parent production application codes or into libraries, with demonstrated performance and/or productivity improvement. The libraries and their use in CoPA’s ECP application partner codes are also addressed.

97 MATHEMATICS AND COMPUTING↗

High-Fidelity Numerical Wave Tank Verification & Validation Study: Wave Generation Through Paddle Motion: Preprint

This paper presents a numerical benchmark study of wave propagation due to a paddle motion using different high-fidelity numerical models, which are capable of replicating the nearly actual physical wave tank testing. A full time series of the measured wave generation paddle motion which was used to generate wave propagation in the physical wave tank will be utilized in each of the models contributed by IEA OES Task 10's participants, which includes both computational fluid dynamics (CFD) and smooth hydrodynamic particle (SPH). The high-fidelity simulations of the physical wave testcase will allow for the evaluation of the initial transient effects from wave ramp-up and its evolution in the wave tank over time for two representative regular waves with varying levels of nonlinearity. A couple of interesting metrics like the predicted wave surface elevation at select wave probes, wave period, and phase-shift in time will be assessed to evaluate the relative accuracy of numerical models versus experimental data within specified time intervals. These models will serve as a guide for modelers in the wave energy community and provide a base case to allow further and more detailed numerical modeling of the fixed Kramer Sphere Cases under wave excitation force wave tank testing.

HYDRO ENERGY,TIDAL AND WAVE POWER↗

Optimization of Geometric Perturbations on a Rod Moving Through a High Explosive Target

After completing a study to ensure the simulation results were converged, several high resolution 3D Smoothed Particle Hydrodynamic (SPH) simulations of copper rods impacting a high explosive (LX14) target were performed. This was then formulated into an optimization problem: I wanted to find the optimum shape and location of a perturbation on the rod that would maximize its erosion after it left the target. The shape of the perturbation was modeled as a 2D Gaussian bump and parameterized by its location along the rod axis (z 0 ) and amplitude (A). The final mass of the coherent part of the rod as it leaves the target was used as a metric to represent the erosion of the rod, and the optimization was formulated to maximize this metric with respect to the aforementioned design variables. Due to the expensive nature of the high-fidelity 3D SPH simulations, a surrogate model needed to be chosen so that many function calls to the optimizer would be feasible. Thus, a strategic full factorial sampling plan was chosen to build a dataset, which consisted of 24 high-fidelity simulations. Two surrogate models, a third order polynomial regression model and a Gaussian Process Model, were analyzed using a 14%/86% test/train holdout technique. The root mean square and R2 score of the test set was used to determine the best model, and the third order polynomial regression model was chosen as the surrogate model. Finally, the Nelder-Mead Simplex and Basin-hopping optimization algorithms were implemented, and it was found that the two algorithms gave slightly different optimum values. Nelder-Mead gave an optimum point of [z* 0 ;A*] = [9:9;0:4] and Basin-Hopping gave an optimum value of x* = [z* 0 ;A*] = [9:2;0:1].

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Advancement of hybrid fluid-kinetic modeling for HEDP and ICF science

We report on the development progress of a hybrid fluid-kinetic code for simulating fluids and plasmas in a wide range of environments, such as laser–matter interactions, inertial confinement fusion, magnetic confinement fusion, and pulsed power. The suite of numerical tools under development utilizes heterogeneous computer architectures and leverages the benefits of particle–based simulation techniques. By working to combine the kinetic particle-in-cell (PIC) model with a particle-based fluid simulation technique, such as smoothed particle hydrodynamics, we are developing a flexible framework capable of accurately modeling complex flows within and between kinetic and fluid regimes. The TriForce code is under development as a C++ framework for parallel, 3D, particle-based, hybrid fluid-kinetic plasma simulations. The fluid half of TriForce will be based upon the meshless smoothed-particle-hydrodynamics (SPH) approach, well-suited for shear, mixing, and turbulence, whereas the kinetic half resembles a traditional particle-in-cell (PIC) code; other particle-based approaches to fluid modeling that do use a mesh are also possible to use and are under investigation. Maxwell’s electromagnetic field equations are solved either via explicit or implicit algorithms or approximated via resistive magnetohydrodynamics (MHD) using an Ohm’s law and resulting induction equation (extended MHD is under development). A primary goal of enabling direct comparisons, from the same code, between results from the variants of MHD and implicit electromagnetic solutions is to improve our fundamental understanding of systems with magnetic fields. The code is under development to recover results from both radiation-MHD and fully kinetic codes in those limits, and is continuing to be developed from other follow-on grants to operate in between where both descriptions may co-exist and interact. For certain applications, it is desired for a simulation to contain fluid ions and electrons as well as kinetic ions and electrons. Typically, it is too computationally intensive to model a full-scale ICF or HEDP experiment fully kinetically since many cycles are expended with very small time steps on modeling the fluid part of a material that is well treated by the fluid approximation. In this case, many traditional PIC particles can be replaced with a single fluid particle representing the thermal part of the distribution function, and there are fewer needed kinetic particles, which describe the non-thermal part and can be sub-cycled relative to the fluid particle advance. Furthermore, a pure fluid code may, depending on the problem, simply lack many physically important details that are beyond the scope of its reduced approximations and assumptions. In this report, we summarize the objectives achieved in the development of the collisional and kinetic half of the code, and the physics problems to which the code has been applied in the areas of advanced and innovative fusion concepts, pulsed power, and magneto-inertial fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A hybrid finite volume method and smoothed particle hydrodynamics approach for efficient and accurate blast simulations

Modeling strong shock waves in fluids remains a persistent challenge in computational physics. Essential to research efforts in industry and defense, numerous methods have been devised to improve the accuracy and efficiency of shock simulations. A novel, hybrid Finite Volume Method (FVM)-Smoothed Particle Hydrodynamics (SPH) approach is capable of further improving efficiency and retaining accuracy by exploiting the favorable characteristics of each respective method. This hybrid approach is presented for shock capturing in compressible fluids. The Python framework Pyro2 is employed to simulate a coarse FVM mesh, while the Python framework PySPH is utilized to model the fluid in regions with high gradients through SPH particles. The performance of the hybrid FVM-SPH scheme, compared to the individual FVM and SPH methods, is assessed in 1 kt and 10 kt blast simulations. Our results indicate that the hybrid approach offers higher computational efficiency than SPH while preserving its accuracy and characteristics. The hybrid approach had a relative speedup of 11.3x and 22.3x over the FVM and SPH approaches for the 1 kt simulation and a relative speedup of 14.7x and 20.9x over the FVM and SPH approaches for the 10 kt simulation. The hybrid SPH algorithm enables future compressible fluid simulations with more extensive capabilities than grid-based methods alone, presenting potential applications in modeling fluid-structure interactions and solid deformation and fracturing in blast simulations.

Myers, Conner↗

Halted-pendulum Relaxation: Application to White Dwarf Binary Initial Data

Studying compact-star binaries and their mergers is integral to determining progenitors for observable transients. Today, compact-star mergers are typically studied via state-of-the-art computational fluid dynamics codes. One such numerical technique, smoothed particle hydrodynamics (SPH), is frequently chosen for its excellent mass, energy, and momentum conservation. The natural treatment of vacuum and the ability to represent highly irregular morphologies make SPH an excellent tool for the study of compact-star binaries and mergers. For many scenarios, including binary systems, the outcome of simulations is only as accurate as the initial conditions. For SPH, it is essential to ensure that the particles are distributed regularly, representing the initial density profile but without long-range correlations. Particle noise in the form of high-frequency local motion and low-frequency global dynamics must be damped out. Damping the latter can be as computationally intensive as the actual simulation. We discuss a new and straightforward relaxation method, halted-pendulum relaxation (HPR), to remove global oscillation modes of SPH particle configurations. In combination with effective external potentials representing gravitational and orbital forces, we show that HPR has an excellent performance in efficiently relaxing SPH particles to the desired density distribution and removing global oscillation modes. We compare the method to frequently used relaxation approaches and test it on a white dwarf binary model at its Roche-lobe overflow limit. We highlight the importance of our method in achieving accurate initial conditions and its effect on achieving circular orbits and realistic accretion rates when compared with other general relaxation methods.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling Solids in Nuclear Astrophysics with Smoothed Particle Hydrodynamics

Abstract Smoothed particle hydrodynamics (SPH) is a frequently applied tool in computational astrophysics to solve the fluid dynamics equations governing the systems under study. For some problems, for example when involving asteroids and asteroid impacts, the additional inclusion of material strength is necessary in order to accurately describe the dynamics. In compact stars, that is white dwarfs and neutron stars, solid components are also present. Neutron stars have a solid crust, which is the strongest material known in nature. However, their dynamical evolution, when modeled via SPH or other computational fluid dynamics codes, is usually described as a purely fluid dynamics problem. Here, we present the first 3D simulations of neutron star crustal toroidal oscillations including material strength with the Los Alamos National Laboratory SPH code FleCSPH. In the first half of the paper, we present the numerical implementation of solid material modeling together with standard tests. The second half is on the simulation of crustal oscillations in the fundamental toroidal mode. Here, we dedicate a large fraction of the paper to approaches that can suppress numerical noise in the solid. If not minimized, the latter can dominate the crustal motion in the simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Meshfree Methods

Meshfree methods have undergone substantial development and have received much attention in the last two decades. This new family of numerical methods is designed to inherit the main advantages of the finite element method such as compact supports of shape functions and good approximation properties while, at the same time, overcome the main disadvantages of the finite element method caused by the mesh dependence. The meshfree methods share a common feature that no mesh is needed and shape functions are constructed from sets of points, thus eliminating the need for time consuming mesh generation. The most significant advantage of meshfree methods is the flexibility in customizing approximation functions for desired regularity and for capturing essential physics and features of the particular problems of interest. Adaptivity formulation and multiple-scale solution strategies also can be implemented with relative ease. It has become clear that the meshfree methods provide considerable advantages over the conventional finite element methods in solving problems involving moving discontinuities, evolving material interfaces, multiple-scale phenomena, large material distortion and structural deformation, and fracture and damage processes. This Chapter gives an overview of many classes of meshfree methods, with more detailed discussions on Smoothed Particle Hydrodynamics (SPH), the Reproducing Kernel Particle Method (RKPM), Peridynamics (PD), the Material Point Method (MPM), as well as their applications in various challenging engineering problems.2

Chen, Jiun-Shyan↗

Material flow behavior and microstructural refinement of AA6061 alloy during friction extrusion

In this work we used friction extrusion (FE), a solid phase processing technique, to produce dense, fully consolidated 5?mm rods of aluminum alloy 6061 (AA6061). The combination of large shear stresses and high temperatures at the tool-billet interface during extrusion produced equiaxed, dynamically recrystallized grains and finely distributed precipitates. Texture and microstructure evolution during extrusion was investigated in detail using scanning electron microscopy, electron backscatter diffraction, and transmission electron microscopy. Smoothed particle hydrodynamics simulation was performed to study complex material flow during extrusion. Simulation results suggest spiral material flow during extrusion which corroborated experimental results. Advantages of friction extruded microstructure over conventionally extruded counterparts are also explored using flash annealing for solution treatment followed by artificial aging. Mechanical properties of the as-friction extruded, and the artificially aged specimens were evaluated using tensile testing and compared with conventional extruded material properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

TEAMER Technical Support of Ramboll's for Numerical Modeling of WECs to Support OES Task 10: Cooperative Research and Development (Final Report)

National Technology & Engineering Solutions of Sandia, LLC (NTESS) in collaboration with the National Renewable Energy Laboratory (NREL), and with guidance from Ramboll, will perform fluid dynamics simulations to support of The Ocean Energy Systems (OES) Energy Technology Collaboration Program Task 10 Wave Energy Converters (WEC) Modelling Verification and Validation effort. Specific numerical simulations include the fixed device wave impingement studies to benchmark the performance of simulation techniques against physical testing results.

16 TIDAL AND WAVE POWER↗