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At least 361 records · Page 20

Spade: An H Chondrite Impact-melt Breccia that Experienced Post-shock Annealing

The low modal abundances of relict chondrules (1.8 Vol%) and of coarse (i.e. >= 2200 micron-size) isolated mafic silicate grains (1.8 Vol%) in Spade relative to mean H6 chondrites (11.4 and 9.8 vol%, respectively) show Spade to be a rock that has experienced a significant degree of melting. Various petrographic features (e.g., chromite-plagioclase assemblages, chromite veinlets, silicate darkening) indicate that melting was caused by shock. Plagioclase was melted during the shock event and flowed so that it partially to completely surrounded nearby mafic silicate grains. During crystallization, plagioclase developed igneous zoning. Low-Ca pyroxene that crystallized from the melt (or equilibrated with the melt at high temperatures) acquired relatively high amounts of CaO. Metallic Fe-Ni cooled rapidly below the Fe-Ni solws and transformed into martensite. Subsequent reheating of the rock caused transformation of martensite into abundant duplex plessite. Ambiguities exist in the shock stage assignment of Spade. The extensive silicate darkening, the occurrence of chromite-plagioclase assemblages, and the impact-melted characteristics of Spade are consistent with shock stage S6. Low shock (stage S2) is indicated by the undulose extinction and lack of planar fractures in olivine. This suggests that Spade reached a maximum prior shock level equivalent to stage S6 and then experienced post-shock annealing (probably to stage Sl). These events were followed by a less intense impact that produced the undulose extinction in the olivine, characteristic of shock stage S2. Annealing could have occurred if Spade were emplaced near impact melts beneath the crater floor or deposited in close proximity to hot debris within an ejecta blanket. Spade firmly establishes the case for post-shock annealing. This may have been a common process on ordinary chondrites (OC) asteroids.

Rubin, Alan E.↗

Shock-Driving CMEs Near the Sun, in the Interplanetary Medium, and Near Earth

The excellent correspondence between type II radio bursts and solar energetic particles (SEPs) made it clear that the same shock accelerates ions and electrons. A recent investigation involving a large number of I shocks revealed that about 35% of IP shocks do not produce type II bursts (radio quiet) or SEPs. Comparing the RQ shocks with the radio loud (RL) ones revealed some interesting results, which will be summarized in this poster. (1) There is no evidence for blast waves. (2) Even a small fraction (20%) of RQ shocks is associated with ion enhancements at the shock when the shock passes the spacecraft. (3) The primary difference between the RQ and RL shocks can be traced to the different kinematic properties of the associated CMEs, although the shock properties measured at 1 AU are not too different for the RQ and RL cases. This can be attributed to the interaction with the IP medium, which seems to erase the difference. More details can be found in Astrophysical Journal 710, 1111, 2010 (http://adsabs.harvard.edu/absZ2009arXivO9l2.4719G).

Gopalswamy, N.↗

Shock Generation and Control Using DBD Plasma Actuators

This report is the final report of a NASA Phase I SBIR contract, with some revisions to remove company proprietary data. The Shock Boundary Layer Interaction (SBLI) phenomena in a supersonic inlet involve mutual interaction of oblique shocks with boundary layers, forcing the boundary layer to separate from the inlet wall. To improve the inlet efficiency, it is desired to prevent or delay shock-induced boundary layer separation. In this effort, Innovative Technology Applications Company (ITAC), LLC and the University of Notre Dame (UND) jointly investigated the use of dielectric-barrier-discharge (DBD) plasma actuators for control of SBLI in a supersonic inlet. The research investigated the potential for DBD plasma actuators to suppress flow separation caused by a shock in a turbulent boundary layer. The research involved both numerical and experimental investigations of plasma flow control for a few different SBLI configurations: (a) a 12 wedge flow test case at Mach 1.5 (numerical and experimental), (b) an impinging shock test case at Mach 1.5 using an airfoil as a shock generator (numerical and experimental), and (c) a Mach 2.0 nozzle flow case in a simulated 15 X 15 cm wind tunnel with a shock generator (numerical). Numerical studies were performed for all three test cases to examine the feasibility of plasma flow control concepts. These results were used to guide the wind tunnel experiments conducted on the Mach 1.5 12 degree wedge flow (case a) and the Mach 1.5 impinging shock test case (case b) which were at similar flow conditions as the corresponding numerical studies to obtain experimental evidence of plasma control effects for SBLI control. The experiments also generated data that were used in validating the numerical studies for the baseline cases (without plasma actuators). The experiments were conducted in a Mach 1.5 test section in the University of Notre Dame Hessert Laboratory. The simulation results from cases a and b indicated that multiple spanwise actuators in series and at a voltage of 75 kVp-p could fully suppress the flow separation downstream of the shock. The simulation results from case c showed that the streamwise plasma actuators are highly effective in creating pairs of counter-rotating vortices, much like the mechanical vortex generators, and could also potentially have beneficial effects for SBLI control. However, to achieve these effects, the positioning and the quantity of the DBD actuators used must be optimized. The wind tunnel experiments mapped the baseline flow with good agreement to the numerical simulations. The experimental results were conducted with spanwise actuators for cases a and b, but were limited by the inability to generate a sufficiently high voltage due to arcing in the wind-tunnel test-section. The static pressure in the tunnel was lower than the static pressure in an inlet at flight conditions, promoting arching and degrading the actuator performance.

Patel, Mehul P.↗

New Evidence for Efficient Collisionless Heating of Electrons at the Reverse Shock of a Young Supernova Remnant

Although collisionless shocks are ubiquitous in astrophysics, certain key aspects of them are not well understood. In particular, the process known as collisionless electron heating, whereby electrons are rapidly energized at the shock front, is one of the main open issues in shock physics. Here, we present the first clear evidence for efficient collisionless electron heating at the reverse shock of Tycho's supernova remnant (SNR), revealed by Fe K diagnostics using high-quality X-ray data obtained by the Suzaku satellite. We detect K beta (3p yields 1s) fluorescence emission from low-ionization Fe ejecta excited by energetic thermal electrons at the reverse shock front, which peaks at a smaller radius than Fe K alpha (2p yields 1s) emission dominated by a relatively highly ionized component. Comparisons with our hydrodynamical simulations imply instantaneous electron heating to a temperature 1000 times higher than expected from Coulomb collisions alone. The unique environment of the reverse shock, which is propagating with a high Mach number into rarefied ejecta with a low magnetic field strength, puts strong constraints on the physical mechanism responsible for this heating and favors a cross-shock potential created by charge deflection at the shock front. Our sensitive observation also reveals that the reverse shock radius of this SNR is about 10% smaller than the previous measurement using the Fe K alpha morphology from the Chandra observations. Since strong Fe K beta fluorescence is expected only from low-ionization plasma where Fe ions still have many 3p electrons, this feature is key to diagnosing the plasma state and distribution of the immediate postshock ejecta in a young SNR.

Fe K diagnostics↗

The Link Between Shocks, Turbulence, and Magnetic Reconnection in Collisionless Plasmas

Global hybrid (electron fluid, kinetic ions) and fully kinetic simulations of the magnetosphere have been used to show surprising interconnection between shocks, turbulence and magnetic reconnection. In particular collisionless shocks with their reflected ions that can get upstream before retransmission can generate previously unforeseen phenomena in the post shocked flows: (i) formation of reconnecting current sheets and magnetic islands with sizes up to tens of ion inertial length. (ii) Generation of large scale low frequency electromagnetic waves that are compressed and amplified as they cross the shock. These 'wavefronts' maintain their integrity for tens of ion cyclotron times but eventually disrupt and dissipate their energy. (iii) Rippling of the shock front, which can in turn lead to formation of fast collimated jets extending to hundreds of ion inertial lengths downstream of the shock. The jets, which have high dynamical pressure, 'stir' the downstream region, creating large scale disturbances such as vortices, sunward flows, and can trigger flux ropes along the magnetopause. This phenomenology closes the loop between shocks, turbulence and magnetic reconnection in ways previously unrealized. These interconnections appear generic for the collisionless plasmas typical of space, and are expected even at planar shocks, although they will also occur at curved shocks as occur at planets or around ejecta.

MAGNETOSPHERE↗

Prompt Injections of Highly Relativistic Electrons Induced by Interplanetary Shocks: A Statistical Study of Van Allen Probes Observations

We conduct a statistical study on the sudden response of outer radiation belt electrons due to interplanetary (IP) shocks during the Van Allen Probes era, i.e., 2012 to 2015. Data from the Relativistic Electron-Proton Telescope instrument on board Van Allen Probes are used to investigate the highly relativistic electron response (E greater than 1.8 MeV) within the first few minutes after shock impact. We investigate the relationship of IP shock parameters, such as Mach number, with the highly relativistic electron response, including spectral properties and radial location of the shock-induced injection. We find that the driving solar wind structure of the shock does not affect occurrence for enhancement events, 25% of IP shocks are associated with prompt energization, and 14% are associated with MeV electron depletion. Parameters that represent IP shock strength are found to correlate best with highest levels of energization, suggesting that shock strength may play a key role in the severity of the enhancements. However, not every shock results in an enhancement, indicating that magnetospheric preconditioning may be required.

Schiller, Q.↗

Bow Shock in Merging Cluster A520: The Edge of the Radio Halo and the Electron-Proton Equilibration Timescale

We studied the prominent bow shock in the merging galaxy cluster A520 using a deep Chandra X-ray observation and archival VLA radio data. This shock is a useful diagnostic tool, owing to its clear geometry and relatively high Mach number. At the "nose" of the shock, we measure a Mach number of M=2.4(sup 0.4, sub -0.2). The shock becomes oblique away from the merger axis, with the Mach number falling to approx. 1.6 around 30 deg from the nose. The electron temperature immediately behind the shock nose is consistent with that from the Rankine-Hugoniot adiabat, and is higher (at a 95% confidence) than expected for adiabatic compression of electrons followed by Coulomb electron-proton equilibration, indicating the presence of equilibration mechanisms faster than Coulomb collisions. This is similar to an earlier finding for the Bullet cluster. We also combined four archival VLA data sets to obtain a better image of the cluster's giant radio halo at 1.4 GHz. An abrupt edge of the radio halo traces the shock front, and no emission is detected in the pre-shock region. If the radio edge were due only to adiabatic compression of relativistic electrons in pre-shock plasma, we would expect a pre-shock radio emission detectable in this radio data set; however, an interferometric artifact dominates the uncertainty, so we cannot rule this model out. Other interesting features of the radio halo include a peak at the remnant of the cool core, suggesting that the core used to have a radio minihalo, and a peak marking a possible region of high turbulence.

Wang, Qian H. S.↗

One-Dimensional Modeling Methodology for Shock Tubes: Application to the EAST Facility

In this work, a one-dimensional methodology for simulating shock tubes is developed. The model accounts for the viscous interactions of the shock with the shock tube wall by adding an area change source term in the 1-D conservation equations corresponding to the boundary layer growth. This source term corresponds to the mass and energy going into the boundary layer. The boundary layer growth is computed using a simple model with a scaling factor. This scale factor is used to tailor a solution to match the deceleration profile of a shock tube test. In doing so, not only will the source term take into account boundary layer losses, it will also cover any effect due to radiative cooling loses from the gas. For this study, the Electric Arc Shock Tube(EAST) facility at NASA Ames Research Center is modeled for Earth reentry conditions. The purpose of this paper is to investigate if anomalies identified for certain conditions in the EAST data are due to shock deceleration. These anomalies include measuring electron number density above equilibrium predictions and observing that radiance profiles can continually increase behind the shock, never reach steady state, for certain shots (typically those less than 10 km/s). An eleven species air mixture is chosen to study the chemistry of the flow. Comparisons of the simulations to the experimental results are presented. Good agreement with the shock deceleration profiles was achieved by tuning in the boundary layer scale factor. The temperature as well as electron number density increases behind the shock, as has also been observed in the experiments. Finally, radiance comparisons between results from NEQAIR and experiments also show good agreement for some shots, but significant discrepancies are still observed for others.

Sharma, Maitreyee↗

Sphene Emotional: How Titanite Was Shocked When the Dinosaurs Died

Accessory mineral geochronometers such as zircon, monazite, baddeleyite, and xenotime are increasingly being recognized for their ability to preserve diagnostic microstructural evidence of hypervelocity processes. However, little is known about the response of titanite to shock metamorphism, even though it is a widespread accessory phase and U-Pb geochronometer. Here we report two new mechanical twin modes in titanite within shocked granitoids from the Chicxulub impact structure, Mexico. Titanite grains in the newly acquired International Ocean Discovery Program Site expedition 364 M0077A core preserve multiple sets of polysynthetic twins, most commonly with composition planes (K1), = ~{1̅11}, and shear direction (η1) = <110>, and less commonly with the mode K1 = {130}, η1 = ~<522>. In some grains, {130} deformation bands have formed concurrently with shock twins, indicating dislocation glide with Burgers vector b = [341] can be active at shock conditions. Twinning of titanite in these modes, the presence of planar deformation features in shocked quartz, and lack of diagnostic shock microstructures in zircon in the same samples highlights the utility of titanite as a shock indicator for a shock pressure range between ~12 and ~17 GPa. Given the challenges of identifying ancient impact evidence on Earth and other bodies, microstructural analysis of titanite is here demonstrated to be a new avenue for recognizing impact deformation in materials where other impact evidence may be erased, altered, or did not manifest due to low shock pressure.

Timms, Nicholas E.↗

One-Dimensional Modeling Methodology for Shock Tubes: Application to the EAST Facility

In this work, a one-dimensional methodology for simulating shock tubes is developed. The model accounts for the viscous interactions of the shock with the shock tube wall by adding an area change source term in the 1-D conservation equations corresponding to the boundary layer growth. This source term corresponds to the mass and energy going into the boundary layer. The boundary layer growth is computed using a simple model with a scaling factor. This scale factor is used to tailor a solution to match the deceleration profile of a shock tube test. In doing so, not only will the source term take into account boundary layer losses, it will also cover any effect due to radiative cooling loses from the gas. For this study, the Electric Arc Shock Tube(EAST) facility at NASA Ames Research Center is modeled for Earth reentry conditions. The purpose of this paper is to investigate if anomalies identified for certain conditions in the EAST data are due to shock deceleration. These anomalies include measuring electron number density above equilibrium predictions and observing that radiance profiles can continually increase behind the shock, never reach steady state, for certain shots (typically those less than 10 km/s). An eleven species air mixture is chosen to study the chemistry of the flow. Comparisons of the simulations to the experimental results are presented. Good agreement with the shock deceleration profiles was achieved by tuning in the boundary layer scale factor. The temperature as well as electron number density increases behind the shock, as has also been observed in the experiments. Finally, radiance comparisons between results from NEQAIR and experiments also show good agreement for some shots, but significant discrepancies are still observed for others.

Sharma, Maitreyee↗

Isolator Shock Train Response to Dual-Mode Scramjet Throttling-Like Forcing

Typical dual-mode scramjet designs employ an isolator component situated between the inlet and combustor. The isolator fluidically buffers the inlet from the combustor via the formation of a shock train, an interconnected series of shock-boundary layer interactions. The isolator is required during ramjet-engine operation and at the lower edges of the scramjet operational envelope. In an operational engine, transient behavior imposes fluidic dynamics due to attitude adjustments, combustor throttling, aberrant resonances within the combustor, etc. To accommodate these transients, the shock train adjusts on both temporal and spatial scales. Sufficiently large downstream pressure increases in the combustor play a critical role during unstart, whereby strong compression waves propagate upstream in the isolator to ultimately force the shock train out the inlet, if it cannot stabilize to the pressure increase. This critically reduces the engine mass flow rate, potentially causing a catastrophic reduction in thrust and loss of the vehicle. A nearly instantaneous unstart can, in principle, be predicted by a ratio of the normal shock pressure jump in an inviscid isolator. However, lower-magnitude perturbations, below this bound, also induce unstarts. Understanding the transient behavior inherent in unsteady isolator operation is critical to reducing safety margin in isolator length and refining engine control algorithms to improve engine performance. The Isolator Dynamics Research Lab (IDRL) is a cold-flow, direct-connect isolator facility ideal for assessing the fundamental fluid dynamics of shock trains. The internal flow of a scramjet isolator is modeled using a 2D, symmetric Mach 2.5 nozzle followed by a 695 mm long, 25.4x50.8 mm rectangular isolator test section. A blockage cone on a high-speed ball screw actuator downstream of the isolator is pulsed to simulate the throttling behavior in an operational combustor. Wall flush high-speed static pressure transducers detect the streamwise shock train within the isolator. Time delays between the onset of the throttling and the response motion of the shock train are analyzed to assess the controlling scales and parameters. From this analysis, the response time of the isolator shock train system is found to depend primarily on the isolator back pressure time-rate-of-change but quickly saturates to a maximum propagation speed along the isolator. These results inform dual-mode scramjet engine designers of the critical parameters and limits of an unstart resistant engine.

scramjet↗

Rippled shock propagation in a laser-driven target at multimegabar pressures

The evolution of non-uniform shocks produced by modulated laser irradiation or surface perturbations is relevant to studies of inertial confinement fusion and material properties at high-energy-density conditions. We present results from an experiment conducted at the OMEGA EP laser facility, where a 300 GPa shock was driven into a fused silica sample with pre-fabricated single-mode surface modulations. Using time-resolved optical velocimetry, we captured the continuous evolution of rippled shock motion, enabling a comprehensive mapping of the spatial amplitude history from formation to phase reversal in a single experiment. Initially, the ablation-driven shock inherits a fraction of the surface modulation amplitude from the sample, which subsequently grows before decaying, ultimately leading to the flattening of the rippled shock and a phase reversal. We find that two-dimensional inviscid hydrodynamic simulation of the experiment is able to qualitatively capture many aspects of the rippled shock evolution but over-predicts the initial amplitude growth. This experimental platform, capable of accommodating varying ripple wavelengths, lays the groundwork for a potential viscometry method at extreme pressures, where viscous effects manifest as differences in shock flattening times between rippled shocks of two distinct wavelengths propagating through the sample.

36 MATERIALS SCIENCE↗

Shock propagation in aerogel and TPP foams for inertial fusion energy target design

Achieving practical inertial fusion energy (IFE) requires the development of target designs with well-characterized microstructure and compression response. We measured shock dynamics in low-density (17.5–500 mg/cm 3 ) aerogel and two-photon polymerization (TPP) foams using x-ray phase contrast imaging (XPCI) methods and the Velocity Interferometer System for Any Reflector. By analyzing shock front evolution, we examined how target type and density influence shock propagation and energy dissipation. Talbot-XPCI shows that aerogels support a smooth, bowed shock front due to their homogeneous nanometer-scale pore network. In contrast, TPP foams exhibit irregular, stepwise propagation driven by interactions with their periodic micrometer-scale lattice. Shock velocity follows a power-law relation: aerogels deviate from classical ρ −1/2 scaling due to pore-collapse dissipation, while TPP foams follow the trend with larger uncertainties from density variations. Comparisons with xRAGE simulations reveal systematic underestimation of shock speeds. These results provide the first experimental constraints on shock propagation in TPP foams over a wide density range and highlight the influence of internal structure on anisotropic shock behavior. Our findings support improved benchmarking of EOS and hydrodynamic models and inform the design of foam architectures that promote implosion symmetry in IFE capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Absolute Hugoniot measurements in low-density plastic foams on the NIKE shock compression platform

The propagation of Mbar-range shock waves in low-density foam materials is of interest to target design in all approaches to inertial confinement fusion, high energy density physics, and laboratory astrophysics. We report absolute Hugoniot measurements for CH 1.72 N 0.086 O 0.37 plastic foams with 73 and 94 mg/cm 3 densities in the 32–107 km/s shock velocity range. The experiments were performed on the shock compression platform developed on the NIKE KrF laser facility at the U.S. Naval Research Laboratory. NIKE's 4 or 8-ns long flat-top laser pulses drive steady shock waves into foam targets at the ablative pressures of 1–7 Mbar. The propagation of the ablation and shock fronts is tracked continuously in time using streaked side-on monochromatic x-ray imaging radiography. The straight x−t trajectories of the shock and ablation fronts in the recorded streak images confirmed their steadiness. The SESAME tabulated equation of state predictions generally agrees with our Hugoniot data within a 95% confidence band. The experimental uncertainty of the evaluated shock density compression ratios remains large, indicating the need for more experiments and improved theoretical understanding of the strong shock propagation mechanisms in dry foams.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Aerothermal Effects of Hypersonic Shock Impingement on a Highly Swept Leading Edge

A numerical study is conducted to investigate aerothermal implications of oblique shock impingement on a highly swept leading edge in hypersonic flow, with flow conditions and geometry relevant to non-propulsive leading edge heating on hypersonic cruise vehicles. In contrast to propulsive inlet leading edge shock impingement, which has been subject to extensive historical study, bow shock impingement on a highly swept wing leading edge has received comparatively little attention in the literature. Distinguishing characteristics of this type of flow include a potentially dominant surface heating contribution from crossflow-induced viscous dissipation, possible wall velocity slip and temperature jump effects, and various modes of shock layer thermal nonequilibrium that can interact with shock impingement flowfield structures. One overall goal of this work is to assess the impact of bow shock impingement and related nonequilibrium phenomena for wing leading edge design, materials selection and thermal management. Another goal is to improve understanding – and thereby reduce associated design margins – for the physical processes and mechanisms that may influence wing leading edge heating in the presence of an impinging shock. A combination of direct simulation Monte Carlo and Reynolds-averaged Navier-Stokes analysis is used to assess surface and flowfield characteristics for a series of hypersonic shock impingement problems, based on historical ground tests and related flight conditions. Favorable comparisons are performed with experimental data, and various thermal nonequilibrium effects are quantified.

direct simulation Monte Carlo↗

Interpretation of Flat Energy Spectra Upstream of Fast Interplanetary Shocks

Interplanetary shocks are large-scale heliospheric structures often caused by eruptive phenomena at the Sun, and represent one of the main sources of energetic particles. Several interplanetary shock crossings by spacecraft at 1 AU have revealed enhanced energetic-ion fluxes that extend far upstream of the shock. Surprisingly, in some shock events, ion fluxes with energies between 100 keV and about 2 MeV acquire similar values (which we refer to as "overlapped'' fluxes), corresponding to flat energy spectra in that range. In contrast, closer to the shock, the fluxes are observed to depend on energy. In this work, we analyze three interplanetary shock-related energetic particle events observed by the Advanced Composition Explorer spacecraft where flat ion energy spectra were observed upstream of the shock. We interpret these observations via a velocity filter mechanism for particles in a given energy range. This reveals that low energy particles tend to be confined to the shock front and cannot easily propagate upstream, while high energy particles can. The velocity filter mechanism has been corroborated from observations of particle flux anisotropy by the Solid-State Telescope of Wind/3DP.

Shock waves↗

Unveiling the drivers contributing to global wheat yield shocks through quantile regression

Sudden reductions in crop yield (i.e., yield shocks) severely disrupt the food supply, intensify food insecurity, depress farmers' welfare, and worsen a country's economic conditions. Here, we study the spatiotemporal patterns of wheat yield shocks, quantified by the lower quantiles of yield fluctuations, in 86 countries over 30 years. Furthermore, we assess the relationships between shocks and their key ecological and socioeconomic drivers using quantile regression based on statistical (linear quantile mixed model) and machine learning (quantile random forest) models. Using a panel dataset that captures spatiotemporal patterns of yield shocks and possible drivers in 86 countries, we find that the severity of yield shocks has been increasing globally since 1997. Moreover, our cross-validation exercise shows that quantile random forest outperforms the linear quantile regression model. Despite this performance difference, both models consistently reveal that the severity of shocks is associated with higher weather stress, nitrogen fertilizer application rate, and gross domestic product (GDP) per capita (a typical indicator for economic and technological advancement in a country). While the unexpected negative association between more severe wheat yield shocks and higher fertilizer application rate and GDP per capita does not imply a direct causal effect, they indicate that the advancement in wheat production has been primarily on achieving higher yields and less on lowering the possibility and magnitude of sharp yield reductions. Hence, in the context of growing extreme weather stress, there is a critical need to enhance the technology and management practices that mitigate yield shocks to improve the resilience of the world food systems.

60 APPLIED LIFE SCIENCES↗

Anisotropic Hot Spot Formation at a Grain Boundary in Shock-Compressed TATB High Explosive Crystal

Secondary high explosives (HEs) exhibit rich microstructure that promotes the formation of hot spots responsible for detonation initiation, but the role of microstructural interfaces remains poorly quantified. To this end, we develop extensions for the generalized crystal-cutting method (GCCM) to prepare molecular dynamics (MD) simulation cells containing grain boundaries (GBs) and other crystal–crystal interfaces with prescribed tilt and twist orientations. Using the GCCM, we perform MD simulations of shock interactions with a GB between the (001) and (100) crystal facets in the secondary HE TATB (1,3,5-triamino-2,4,6-trinitrobenzene). Our MD simulations reveal a strong directional dependence to the formation of a hot spot at the GB interface. In particular, transmission of the shock from the (001) grain to the (100) grain yields a hot spot in the (100) grain at the GB interface, whereas no hot spot is produced when an equivalent shock transits the GB in the opposite direction. We trace the origin of this GB anisotropy to three dominant factors: (1) the intrinsic differences in shock-deformation mechanisms and wave structures for the bulk (100) and (001) grains, which leads to distinct geometries and mechanical impedances upon shock arrival to the GB depending on which grains are donor or acceptor for the transmitted shock; (2) the different time intervals separating the initial shock rise and the formation of steady wave structures in the respective donor–acceptor configurations; and (3) the differences in time scales required to re-establish local thermal equilibrium. Interfacial hot spots form when these factors combine to impede development of a steady two-wave structure and instead induce a localized, pseudosingly shocked region that undergoes a higher rate of work production (resulting in a higher temperature) compared to when the steady two-wave structure develops further from the interface. The extensions to the GCCM approach presented here are anticipated to facilitate a wide range of MD studies that focus on understanding the role of crystal–crystal interfaces in molecular materials.

organic↗