Conservative Eulerian numerical methods for geometrical shock dynamics (GSD) and detonation shock dynamics (DSD)
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97 MATHEMATICS AND COMPUTING↗
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Generating Three-Axis Shock Response on Resonant Plates without Additional Dynamic Fixturing through Geometric Optimization
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Alvis, Tyler Harrison [Sandia National Laboratorie↗
Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability
Capturing the dynamic response of a material under high strain-rate deformation often demands challenging and time consuming experimental effort. While shock hydrodynamic simulation methods can aid in this area, a priori characterizations of the material strength under shock loading and spall failure are needed in order to parameterize constitutive models needed for these computational tools. Moreover, parameterizations of strain-rate-dependent strength models are needed to capture the full suite of Richtmyer–Meshkov instability (RMI) behavior of shock compressed metals, creating an unrealistic demand for these training data solely on experiments. Herein, we sweep a large range of geometric, crystallographic, and shock conditions within molecular dynamics (MD) simulations and demonstrate the breadth of RMI in Cu that can be captured from the atomic scale. In this work, yield strength measurements from jetted and arrested material from a sinusoidal surface perturbation were quantified as Y RMI = 0.787 ± 0.374 GPa, higher than strain-rate-independent models used in experimentally matched hydrodynamic simulations. Defect-free, single-crystal Cu samples used in MD will overestimate Y RMI , but the drastic scale difference between experiment and MD is highlighted by high confidence neighborhood clustering predictions of RMI characterizations, yielding incorrect classifications.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Understanding Microstructural Effects on Dynamic Performance Towards the Development of Shock Metamaterials
With the recent advances in additive manufacturing (AM), long-range periodic lattice assemblies are being developed for vibration and shock mitigation components in aerospace and military applications with unique geometric and topological structures. There has been extensive work in understanding the static properties associated with varying topology of these lattice architectures, but there is almost no understanding of microstructural affects in such structures under high-strain rate dynamic loading conditions. Here we report the shock behavior of lattices with varying intrinsic grain structures achieved by post process annealing. High resolution 316L stainless steel lattices were 3D printed by a laser-powder bed fusion machine and characterized by computed tomography. Subsequent annealing resulted in stress-relieved and recrystallized lattices. Overall the lattices had strong cubic texture aligning with the x-, y- and z-directions of the build with a preference outside the build direction (z). The recrystallized sample had more equiaxed polygonal grains and a layer of BCC ferrite at the surface of the structure approximately 1 grain thick. Upon dynamic compression the as-deposited lattice showed steady compaction behavior while the heat-treated lattices exhibit negative velocity behavior indicative of failure. We attribute this to the stiffer BCC ferrite in the annealed lattices becoming damaged and fragmenting during compression.
36 MATERIALS SCIENCE↗
High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant
The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.
3D printing↗
Influences of shock imprinting on mix in a 3D-printed porous media
Mixing of materials in porous media can cause a significant impact on fusion yield as previously demonstrated by the National Ignition Facility (NIF) MARBLE Campaign. Initially, the reactants are separated, with deuterium in the lattice struts and a tritium gas fill in the voids. Lattice parameters such as the strut thickness and relative pitch, provide a control for the mix parameters in the experiment. Los Alamos National Laboratory’s (LANL) BOSQUE project looks to better understand how the mix of the reactants and shell materials impact the fusion burn and resultant yield on various laser platforms. xRAGE’s Eulerian hydrodynamics and adaptive mesh refinement (AMR) provide the unique ability to study the impacts of multiscale features of complex lattice structures. This modeling provides the ability to measure shock front variations as the wave progress’ through a given media. Initial conditions of the lattice are essential to accurately model mix and burn measured by experiment. By varying the initial orientation and densities of these lattice regions the early time dynamics of how the shock is launched into the system is changed and advocates for the study of resulting effects. In this work, we will study the sensitivities of shock effects in varying 3D printed geometric systems and how these shocks alter the structure and mix in the lattice. We will discuss both preliminary experimental results and simulations to help plan and constrain future experiments where we will study the impact of different lattice geometries and lattice bulk densities. This work concludes with the relative impacts of lattice geometries on shock speeds at different bulk densities and the resultant mix widths due to those shock interactions. We see agreement with theory at the higher end of our bulk density study, however, as we approach lower bulk density systems the dynamics of these interactions begin to change.
2 Photon Polymerization↗
An infrasound source analysis of the OSIRIS-REx sample return capsule hypersonic re-entry
The OSIRIS-REx sample return capsule's hypersonic re-entry into the atmosphere is a rare opportunity to test a variety of sonic boom source models since the projectile dimensions are well characterized. While the as-flown flight path is unknown, the predicted flight path enables a rough approximation of the source Mach number and location. Six infrasound microphones deployed in the boom carpet along the predicted flight path recorded impulsive signals from the OSIRIS-REx re-entry. Using a suite of atmosphere profiles and the geometric acoustics approximation, we estimate locations with uncertainty estimates along the flight path from which the signals were emitted. Acoustic overpressure and signal duration predictions from Whitham's far field theory, Carlson's simplified sonic boom prediction method, and a drag-dominated hypersonic model are analyzed with uncertainty estimates from the location estimate. While the Carlson simplified sonic boom prediction method could be accurate, our preference is for the drag-dominated source model. Using this source model with an inviscid Burgers's equation solver for propagation, we obtained an excellent match to the recorded data. In conclusion, these results will help better inform future sample return capsule re-entry observation campaigns as well as contribute to a better understanding of high altitude infrasonic sources.
58 GEOSCIENCES↗
Numerical relativity in spherical coordinates: A new dynamical spacetime and general relativistic MHD evolution framework for the Einstein Toolkit
We present SphericalNR, a new framework for the publicly available Einstein Toolkit that numerically solves the Einstein field equations coupled to the equations of general relativistic magnetohydrodynamic (GRMHD) in a 3+1 split of spacetime in spherical coordinates without symmetry assumptions. The spacetime evolution is performed using reference-metric versions of either the Baumgarte-Shapiro-Shibata-Nakamura equations or the fully covariant and conformal Z4 system with constraint damping. We have developed a reference-metric version of the Valencia formulation of GRMHD with a vector potential method, guaranteeing the absence of magnetic monopoles during the evolution. In our framework, every dynamical field (both spacetime and matter) is evolved using its components in an orthonormal basis with respect to the spherical reference metric. Furthermore, all geometric information about the spherical coordinate system is encoded in source terms appearing in the evolution equations. This allows for the straightforward extension of Cartesian high-resolution shock-capturing finite volume codes to use spherical coordinates with our framework. To this end, we have adapted GRHydro, a Cartesian finite volume GRMHD code already available in the Einstein Toolkit, to use spherical coordinates. We present the full evolution equations of the framework, as well as details of its implementation in the Einstein Toolkit. Finally, we validate SphericalNR by demonstrating it passes a variety of challenging code tests in static and dynamical spacetimes.
79 ASTRONOMY AND ASTROPHYSICS↗
Investigation on the explosion dynamics of large-format lithium-ion pouch cells
Explosion is the most extreme case of thermal runaway of lithium-ion (Li-ion) batteries. In this study, explosion dynamics of large-format Li-ion cells are investigated experimentally and numerically. Overcharge-to-explosion tests are conducted on 40 Ah Li-ion cells with Li[Ni 0.8 Co 0.1 Mn 0.1 ]O 2 cathode. Based on the explosion physics, shockwave and detonation models are used to characterize the shock effect of the cell explosion and evaluate the explosion equivalent. Von Neumann peak is observed on the pressure curves, and the shockwave velocity is supersonic at this time; the unwrinkled spherical flame phenomenon observed in the experiment indicates that it is detonation. Additionally, a geometric model is established based on the real testing scenario, and the explosion behavior is numerically studied. The characteristics of the explosion dynamics process are interpreted and the propagation mechanism of the shockwave are revealed; the deflagration to detonation transition (DDT) phenomenon in this process is caused by the formation of “hot spots”, and the explosion of the cells eventually turns into stable combustion. Here this study fills the gap in the research on thermal runaway of Li-ion cells, especially in the extreme cases of fire and explosion, and provide useful guidance for battery safety.
42 ENGINEERING↗
Carbon-carbon interactions in warm dense titanium carbide
Encouraged by experimental reports of diamond precipitation in carbon-containing materials under warm dense matter conditions and in shock compression experiments, we examine the behavior of carbon in TiC using density functional theory-molecular dynamics simulations. Two polymorphs of TiC are considered, the ambient-pressure B1 ($Fm$$\overline{3}$$m$) structure in which C-C interactions are prevented by geometric constraints, and a high-pressure Cmcm structure in which C atoms condense into zigzag chains. Chemistry-inspired bonding analyses confirm the covalently bound nature of these chains and further illuminate important interatomic interactions in both structures. Upon melting of B1 TiC, new short-range C-C interactions develop in the liquid, while the pre-existing C-C interactions in Cmcm TiC persist in the liquid. Here, the resulting carbon networks in the melt provide a promising environment for eventual diamond nucleation.
Ab initio molecular dynamics↗
Simulations of the Collision between a Debris Stream and an Outer Dusty Torus: A Possible Channel for Forming a Fast-rise and Long-delay Radio Outburst in Tidal Disruption Events
A geometrically thick dusty torus structure is believed to exist in the nuclear regions of galaxies (especially in active galactic nuclei). The debris stream from a tidal disruption event (TDE) will possibly collide with the dusty torus and produce a transient flare. We perform three-dimensional hydrodynamic simulations to model the dynamical evolution of the interaction between unbound debris and a dusty torus. During the continuous interaction, shocked material will be spilled out from the interaction region and form an outflow. We calculate the temporal evolution of synchrotron emission by assuming that the shock accelerates a fraction of electrons in the outflow into a nonthermal distribution. We find that radio emission from the debris–torus collision generates a steep-rise and slow-decline radio light curve due to the sharp edge and dense gas of the dusty torus, where the radio outburst is delayed relative to the main optical/X-ray outburst by several years or even several tens of years. We apply our model to a TDE that happened in a narrow-line Seyfert I galaxy (PS16dtm), where both the radio spectrum and the light curve can be roughly reproduced. Future high-sensitivity, wide-field-of-view radio surveys have the opportunity to detect more such radio flares.
79 ASTRONOMY AND ASTROPHYSICS↗
Reduced‐Order Modeling of Energetic Materials Using Physics‐Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC)
Physics-aware deep learning (PADL) has gained popularity for use in spatiotemporal dynamics simulations, such as those in computational modeling of energetic materials (EM). We show that the challenge PADL methods face while learning complex field evolution problems can be simplified and accelerated by decoupling it into two tasks: learning complex geometric features in evolving fields and modeling dynamics over these features in a lower-dimensional feature space. We build upon our previous work on physics-aware recurrent convolutional neural networks (PARC). PARC embeds knowledge of underlying physics into its neural network architecture for more robust and accurate prediction of evolving physical fields. PARC was shown to effectively learn complex nonlinear features such as the formation of hotspots and coupled shock fronts in various initiation scenarios of EMs, as a function of microstructures, serving effectively as a microstructure-aware burn model. Here, we further accelerate PARC and reduce its computational cost by projecting the original dynamics onto a lower-dimensional invariant manifold, or “latent space.” The projected latent representation encodes the complex geometry of evolving fields (e.g., temperature and pressure) in a set of data-driven features. The reduced dimension of this latent space allows us to learn the dynamics during the initiation of EM with a lighter and more efficient model. We observe a significant decrease in training and inference time while maintaining results comparable to PARC at inference. This work takes steps towards enabling rapid prediction of EM thermomechanics at larger scales and characterization of EM structure–property–performance linkages at a full application scale.
Mathematics and Computing↗
Development of scalable design optimization parameters for bi-component protective systems
Bi-component protection-systems need to withstand a variety of extreme loading conditions such as high-velocity projectile impact to shock and blast mitigation. The large number of parameters at each stage of bi-component protection system design process results in a near-infinite number of possible variables for optimization. The aim of this project is to identify the scaling laws linking material and geometric scales of the problem to the final impact performance, further including the effects of wave propagation/interaction and inter-component bonding. Specifically, the impact dynamics for different optimal projectile/target density ratios and relative component mass fractions are quantified for bonded ceramic/titanium alloy systems. The impact behavior such as wave mechanics and damage propagation within the target system is characterized and quantified via digital image correlation or via x-ray phase-contrast imaging.
36 MATERIALS SCIENCE↗
An imaging refractometer for density fluctuation measurements in high energy density plasmas
In this work, we report on a recently developed laser-probing diagnostic which allows direct measurements of ray-deflection angles in one axis, whilst retaining imaging capabilities in the other axis. This allows us to measure the spectrum of angular deflections from a laser beam which passes though a turbulent high-energy-density plasma. This spectrum contains information about the density fluctuations within the plasma, which deflect the probing laser over a range of angles. We create synthetic diagnostics using ray-tracing to compare this new diagnostic with standard shadowgraphy and schlieren imaging approaches, which demonstrates the enhanced sensitivity of this new diagnostic over standard techniques. We present experimental data from turbulence behind a reverse shock in a plasma and demonstrate that this technique can measure angular deflections between 0.06 and 34 mrad, corresponding to a dynamic range of over 500.
47 OTHER INSTRUMENTATION↗
Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations
Dark-field X-ray microscopy (DFXM) is a novel diffraction-based imaging technique that non-destructively maps the local deformation from crystalline defects in bulk materials. While studies have demonstrated that DFXM can spatially map 3D defect geometries, it is still challenging to interpret DFXM images of the high-dislocation-density systems relevant to macroscopic crystal plasticity. This work develops a scalable forward model to calculate virtual DFXM images for complex discrete dislocation structure(s) (DDS) obtained from atomistic simulations. Our new DDS-DFXM model integrates a non-singular formulation for calculating the local strain from the DDS and an efficient geometrical optics algorithm for computing the DFXM image from the strain field. We apply the model to complex DDS obtained from a large-scale molecular dynamics simulation of compressive loading on single-crystal silicon. Simulated DFXM images exhibit prominent contrast for dislocation features between the multiple slip systems, demonstrating the potential of DFXM to resolve features from dislocation multiplication. In conclusion, the integrated DDS-DFXM model provides a toolbox for DFXM experimental design and image interpretation in the context of bulk crystal plasticity for a range of measurements across shock plasticity and the broader materials science community.
X-ray imaging↗
A simple model of a strong shock driven by a spherical or cylindrical piston
A simple model of piston-driven spherical and cylindrical shocks is suggested. The model is based on a consistent use of two factors: (a) an almost uniform pressure across the shocked layer and, (b) continuous geometrical stretching of the surface elements of the expanding piston. It turns out that for a uniform pre-shock medium the gas between the piston and the shock behaves essentially as an incompressible fluid. An algebraic equation for the shock vs piston position is obtained. Detailed evaluation of the accuracy of the proposed solution shows that its accuracy is a few percent for the adiabatic index γ = 5/3 (as in ideal plasma). A closed-form solution describing enhancement of a weak ambient magnetic field by the shock is presented. The proposed model of piston-driven shocks goes beyond the classical self-similar solutions in that it: (1) naturally covers an early, non-asymptotic dynamics and its transition to asymptotic regime; (2) allows for smooth radial density variation of an ambient gas of the form of bumps, dimples or ramps between two constant values; and (3) allows for smooth temporal variation of piston velocity of the form of bumps, dimples, or ramps. Furthermore, this simple and versatile model provides some new insights into a classical hydrodynamical problem.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
On the role of geometrically necessary dislocations in void formation and growth in response to shock loading conditions in wrought and additively manufactured Ta
This study investigates the role of geometrically necessary dislocations (GNDs) and microstructure on void nucleation and growth in wrought and additively manufactured (AM) tantalum subjected to high-strain rate loading. Multi-modal 3D data was collected using TriBeam tomography to calculate GND densities and their spatial relationship to voids. A microstructural comparison between the wrought and AM samples identified distinct void shapes and locations, with intragranular voids and more spherical voids frequently observed in the AM dataset. Results indicate that voids preferentially form at both high-angle grain boundaries and low-angle subgrain boundaries, the latter of which are frequently observed in the AM material. Through a radial distribution analysis of all voids in the datasets, significant GND localization to near-void-surface regions was observed in both samples. 3D crystal plasticity simulations were employed to extend the experimental observations, revealing higher void growth rates in [111] oriented grains when compared to [001] grains. The simulations also suggest that GNDs can be generated as part of the void growth process, with more GND accumulation for growth in a [111] grain than a [001] grain. These findings provide valuable insights into the links between nanoscale void nucleation, mesoscale void growth, and microstructural effects in dynamically loaded tantalum.
36 MATERIALS SCIENCE↗
Calibration and characterization of the line-VISAR diagnostic at the HED-HIBEF instrument at the European XFEL
In dynamic-compression experiments, the line-imaging Velocity Interferometer System for Any Reflector (VISAR) is a well-established diagnostic used to probe the velocity history, including wave profiles derived from dynamically compressed interfaces and wavefronts, depending on material optical properties. Knowledge of the velocity history allows for the determination of the pressure achieved during compression. Such a VISAR analysis is often based on Fourier transform techniques and assumes that the recorded interferograms are free from image distortions. In this paper, we describe the VISAR diagnostic installed at the HED-HIBEF instrument located at the European XFEL along with its calibration and characterization. It comprises a two-color (532, 1064 nm), three-arm (with three velocity sensitivities) line imaging system. We provide a procedure to correct VISAR images for geometric distortions and evaluate the performance of the system using Fourier analysis. We finally discuss the spatial and temporal calibrations of the diagnostic. As an example, we compare the pressure extracted from the VISAR analysis of shock-compressed polyimide and silicon.
47 OTHER INSTRUMENTATION↗