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At least 1,711 records · Page 95

Report for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗

Analysis of Ground Motion from An Underground Chemical Explosion

Here in this paper we investigate the excitation and propagation of far-field seismic waves from the 905 kg trinitrotoluene equivalent underground chemical explosion SPE-3 recorded during the Source Physics Experiment (SPE) at the Nevada National Security Site. The recorded far-field ground motion at short and long distances is characterized by substantial shear-wave energy, and large azimuthal variations in P-and S-wave amplitudes. The shear waves observed on the transverse component of sensors at epicentral distances <50 m suggests they were generated at or very near the source. The relative amplitude of the shear waves grows as the waves propagate away from the source. We analyze and model the shear-wave excitation during the explosion in the 0.01–10 Hz frequency range, at epicentral distances of up to 1 km. We used two simulation techniques. One is based on the empirical isotropic Mueller–Murphy (MM) (Mueller and Murphy, 1971) nuclear explosion source model, and 3D anelastic wave propagation modeling. The second uses a physics-based approach that couples hydrodynamic modeling of the chemical explosion source with anelastic wave propagation modeling. Comparisons with recorded data show the MM source model overestimates the SPE-3 far-field ground motion by an average factor of 4. The observations show that shear waves with substantial high-frequency energy were generated at the source. However, to match the observations additional shear waves from scattering, including surface topography, and heterogeneous shallow structure contributed to the amplification of far-field shear motion. Comparisons between empirically based isotropic and physics-based anisotropic source models suggest that both wave-scattering effects and near-field nonlinear effects are needed to explain the amplitude and irregular radiation pattern of shear motion observed during the SPE-3 explosion.

58 GEOSCIENCES↗

Nitrogen-Activated Oxidation in Nitrogen Direct Analysis in Real Time Mass Spectrometry (DART-MS) and Rapid Detection of Explosives Using Thermal Desorption DART-MS

Direct analysis in real time mass spectrometry (DART-MS) was used to analyze an array of explosives including nitro-based explosives, peroxide explosives, and energetic heterocyclic compounds with different DART discharge gases (helium, argon, and nitrogen). Profound analyte oxidation was observed for particular compounds (TNT (9) and 2, 4-DNT (10)), whose mass spectra were completely dominated by the oxidation products when nitrogen was substituted for helium in DART analysis. This interesting phenomenon suggested that a highly oxidative environment provided by N{sub 2} DART ion source. A possible mechanism involved in nitrogen DART was proposed which may help further understanding the different chemistry involved in the ionization process. This work also presents a thermal desorption DART (TD-DART) configuration that can enable rapid, specific analysis of explosives from swipes. The screening of swipes with three different compositions (fiberglass, Hybond N{sup +} membrane, and filter paper) showed that fiberglass swipe has the best performance which was then used for the subsequent TD-DART analysis. A direct comparison of TD-DART with traditional DART demonstrated that TD-DART indeed gives better response than traditional DART (provided that the distance between the DART source and mass spectrometer is the same) and will have wider applications than traditional DART. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Engineering the Microstructure and Morphology of Explosive Films via Control of Interfacial Energy

Physical vapor deposition of organic explosives enables growth of polycrystalline films with a unique microstructure and morphology compared to the bulk material. This study demonstrates the ability to control crystal orientation and porosity in pentaerythritol tetranitrate films by varying the interfacial energy between the substrate and the vapor-deposited explosive. Additionally, variation in density, porosity, surface roughness, and optical properties is achieved in the explosive film, with significant implications for initiation sensitivity and detonation performance of the explosive material. Various surface science techniques, including angle-resolved X-ray photoelectron spectroscopy and multiliquid contact angle analysis, are utilized to characterize interfacial characteristics between the substrate and explosive film. Optical microscopy and scanning electron microscopy of pentaerythritol tetranitrate surfaces and fracture cross sections illustrate the difference in morphology evolution and the microstructure achieved through surface energy modification. X-ray diffraction studies with the Tilt-A-Whirl three-dimensional pole figure rendering and texture analysis software suite reveal that high surface energy substrates result in a preferred (110) out-of-plane orientation of pentaerythritol tetranitrate crystallites and denser films. Low surface energy substrates create more randomly textured pentaerythritol tetranitrate and lead to nanoscale porosity and lower density films. This work furthers the scientific basis for interfacial engineering of polycrystalline organic explosive films through control of surface energy, enabling future study of dynamic and reactive detonative phenomena at the microscale. Results of this study also have potential applications to active pharmaceutical ingredients, stimuli-responsive polymer films, organic thin film transistors, and other areas.

36 MATERIALS SCIENCE↗

INPIStron switched pulsed power for dense plasma pinches

The inverse plasma switch INPIStron was employed for 10kJ/40kV capacitor bank discharge system to produce focused dense plasmas in hypocycloidal-pinch (HCP) devices. A single unit and an array of multiple HCP's were coupled as the load of the pulsed power circuit. The geometry and switching plasma dynamics were found advantageous and convenient for commutating the large current pulse from the low impedance transmission line to the low impedance plasma load. The pulse power system with a single unit HCP, the system A, was used for production of high temperature plasma focus and its diagnostics. The radially running down plasma dynamics, revealed in image converter photographs, could be simulated by a simple snow-plow model with a correction for plasma resistivity. The system B with an array of 8-HCP units which forms a long coaxial discharge chamber was used for pumping a Ti-sapphire laser. The intense UV emission from the plasma was frequency shifted with dye-solution jacket to match the absorption band of the Ti crystal laser near 500 nm. An untuned laser pulse energy of 0.6 J/pulse was obtained for 6.4 kJ/40 kV discharge, or near 103 times of the explosion limit of conventional flash lamps. For both systems the advantages of the INPIStron were well demonstrated: a single unit is sufficient for a large current (greater than 50 kA) without increasing the system impedance, highly reliable and long life operation and implied scalability for the high power ranges above I(sub peak) = 1 MA and V(sub hold) = 100 kV.

Han, Kwang S.↗

High-Resolution 2D Lg and Pg Attenuation Models in the Basin and Range Region with Implications for Frequency-Dependent Q

Here, we develop high–resolution, laterally varying attenuation models for the regional crustal phases of Pg and Lg in the area surrounding the Basin and Range Province in the western United States. The models are part of the characterization effort for the Source Physics Experiment (SPE), a series of chemical explosions at the Nevada National Security Site designed to improve our understanding of explosion source phenomenology. To aid in SPE modeling efforts, we focus on improving our ability to accurately predict amplitudes in a set of narrow frequency bands ranging from 0.5 to 16.0 Hz. To explore constraints at higher frequencies where data become more sparse, we test the robustness of the empirically observed power–law relationship between quality factor Q and frequency (Q=Q 0 f γ ). Our methodology uses a staged approach to consider attenuation, physics–based source terms, site terms, and geometrical spreading contributions to amplitude measurements. Tomographic inversion results indicate that the frequency dependence is a reasonable assumption as attenuation varies laterally for this region through all frequency bands considered. Our 2D Pg and Lg attenuation models correlate with underlying physiographic provinces, with the highest Q located in the Sierra Nevada Mountains and the Colorado plateau. Compared to a best–fitting 1D model for the region, the 2D model provides an 81% variance reduction overall for Lg residuals and a 75% reduction for Pg . These detailed attenuation maps at high frequencies will facilitate further study of local and regional distance P/S amplitude discriminants that are typically used to distinguish between earthquakes and underground explosions.

58 GEOSCIENCES↗

Phase Contrast X‐Ray Imaging of the Collapse of an Engineered Void in Single‐Crystal HMX

Abstract Imaging the collapse of a single void that creates a hot spot initiation site in an otherwise defect‐free explosive is challenging given the spatial and temporal scales involved in explosive systems. This work presents our attempt to examine a single hot spot mode (void collapse) in single‐crystal octahydro‐l,3,5,7‐tetranitro‐l,3,5,7‐tetrazocine (HMX) embedded in Sylgard. The hot spot heating mechanisms involved with pore collapse include adiabatic heating, jetting, and viscoplastic dissipation. Quantifying the dynamics of a pore collapse is a crucial step to understanding which mechanisms dominate during ignition events. Our experiments were conducted with a single‐stage, light‐gas gun at Argonne National Laboratory's Advanced Photon Source, applying the phase contrast imaging technique while collecting high‐speed video. The details of HMX single crystal production, defect (pore) engineering, and sample construction, along with experimental results are presented here. These results demonstrate that detailed collapse dynamics can be obtained from homogeneous, single‐crystal explosives with this approach. Qualitative comparisons are made with simulation data which show good agreement in the transition between a quasi‐symmetric pore collapse and an asymmetric collapse with jetting across the pore as measured with normalized pore area and pore circularity.

42 ENGINEERING↗

Strontium-84 Enrichments in Presolar Grains Provide First Evidence of p -process Nucleosynthesis in Core-collapse Supernovae

This study reports detection of rare p-process isotopes within presolar grains. Presolar grains are relic dust grains from dying stars. These microscopic dust particles are found in primitive solar system materials. Their distinct isotopic compositions record the nucleosynthetic processes in their parent stars and the Galactic chemical environment in which these stars formed. We studied presolar graphite grains of high-density type from the Murchison meteorite and found five grains with subgrains that show enrichments in 84 Sr compared to the solar abundance. 84 Sr is the neutron-deficient isotope of strontium that can be produced in the deep oxygen-rich interior of high-mass stars that end their lives as core-collapse supernovae. The observed 84 Sr excesses cannot be produced in low-mass asymptotic giant branch stars, the source of most high-density presolar graphites found in meteorites. High-density graphites with embedded 84 Sr excesses are, instead, compatible with a core-collapse supernovae origin. The graphite subgrains condensed from carbon-rich materials in the outer layers of core-collapse supernovae, where 84 Sr was destroyed by neutron captures during hydrostatic evolution of the stars and their final explosion. Based on current theoretical stellar models, a few percent of contribution from the inner regions of core-collapse supernovae, which are enriched in p-process nuclides, to the outer carbon-rich regions is the most likely explanation for the observed enrichment of 84 Sr in the subgrains of the high-density graphites. In this study, we present the first observational evidence that core-collapse supernovae produce and eject isotopes made by the p-process.

Astronomy and AstroPhysics↗

Fractal Scaling of Explosively Driven Product Gases

ABSTRACT Characterization of the interface between explosive product gases and ambient air in an explosion is a complicated task due to the turbulent mixing and inherently three‐dimensional expansion of the interface. This study aims to quantify the evolution of the interface as a temporally varying Hausdorff dimension. Two test series were conducted with Composition C‐4 charges with masses of 105 and 880 g. Imaging data were collected from the time of detonation until shock wave detachment using ultra‐high‐speed cameras. Gas cloud profiles were extracted using automated image processing algorithms, and the Hausdorff dimension of these two‐dimensional slices of the gas cloud was then estimated using boxcounting algorithms. When scaled with standard gas dynamic nondimensional scalings, the Hausdorff dimension of all explosive events appears to collapse towards a single curve. The fireball was initially nonfractal and began to develop fractal properties as the shock wave separated from the detonation products. Artificial perturbation of the charged surface had no detectable impact on the evolution of the Hausdorff dimension in the early development of the fireball outside of error, despite visible phenomenological differences in the early development of mixing on the fireball surface.

42 ENGINEERING↗

Multidimensional Parameter Study of Double Detonation Type Ia Supernovae Originating from Thin Helium Shell White Dwarfs

Despite the importance of Type Ia supernovae (SNe Ia) throughout astronomy, the precise progenitor systems and explosion mechanisms that drive SNe Ia are still unknown. An explosion scenario that has gained traction recently is double detonation, in which an accreted shell of He detonates and triggers a secondary detonation in the underlying white dwarf. Our research presents a number of high-resolution, multidimensional, full-star simulations of thin-He-shell, sub-Chandrasekhar-mass white dwarf progenitors that undergo a double detonation. This suite of thin-shell progenitors incorporates He shells that are thinner than those in previous multidimensional studies. We confirm the viability of the double detonation across a range of He-shell parameter space, as well as present bulk yields and ejecta profiles for each progenitor. The yields obtained are generally consistent with previous works and indicate the likelihood of producing observables that resemble SNe Ia. The dimensionality of our simulations allow us to examine features of the double detonation more closely, including the details of the off-center secondary ignition and asymmetric ejecta. We find considerable differences in the high-velocity extent of postdetonation products across different lines of sight. The data from this work will be used to generate predicted observables and may further support the viability of the double detonation scenario as an SN Ia channel, as well as show how the properties of the progenitor or viewing angle may influence trends in observable characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetically driven coupling in relativistic radiation-mediated shocks

ABSTRACT The radiation drag in photon-rich environments of cosmic explosions can seed kinetic instabilities by inducing velocity spreads between relativistically streaming plasma components. Such microturbulence is likely imprinted on the breakout signals of radiation-mediated shocks. However, large-scale, transverse magnetic fields in the deceleration region of the shock transition can suppress the dominant kinetic instabilities by preventing the development of velocity separations between electron–positron pairs and a heavy ion species. We use a 1D five-fluid radiative transfer code to generate self-consistent profiles of the radiation drag force and plasma composition in the deceleration region. For increasing magnetization, our models predict rapidly growing pair multiplicities and a substantial radiative drag developing self-similarly throughout the deceleration region. We extract the critical magnetization parameter σc, determining the limiting magnetic field strength at which a three-species plasma can develop kinetic instabilities before reaching the isotropized downstream. For a relativistic, single ion plasma drifting with γu = 10 in the upstream of a relativistic radiation-mediated shock, we find the threshold σc ≈ 10−7 for the onset of microturbulence. Suppression of plasma instabilities in the case of multi-ion composition would likely require much higher values of σc. Identifying high-energy signatures of microturbulence in shock breakout signals and combining them with the magnetization limits provided in this work will allow a deeper understanding of the magnetic environment of cosmic explosions like supernovae, gamma-ray bursts, and neutron star binary mergers.

79 ASTRONOMY AND ASTROPHYSICS↗

Scaling craters in carbonates: Electron paramagnetic resonance analysis of shock damage

Carbonate samples from the 8.9-Mt nuclear (near-surface explosion) crater, OAK, and a terrestrial impact crater, Meteor Crater, were analyzed for shock damage using electron paramagnetic resonance (EPR). Samples from below the OAK apparent crater floor were obtained from six boreholes, as well as ejecta recovered from the crater floor. The degree of shock damage in the carbonate material was assessed by comparing the sample spectra to the spectra of Solenhofen and Kaibab limestone, which had been skocked to known pressures. Analysis of the OAK Crater borehole samples has identified a thin zone of allocthonous highly shocked (10-13 GPa) carbonate material underneath the apparent crater floor. This approx. 5- to 15-m-thick zone occurs at a maximum depth of approx. 125 m below current seafloor at the borehole, sited at the initial position of the OAK explosive, and decreases in depth towards the apparent crater edge. Because this zone of allocthonous shocked rock delineates deformed rock below, and a breccia of mobilized sand and collapse debris above, it appears to outline the transient crater. The transient crater volume inferred in this way is found to by 3.2 +/- 0.2 times 10(exp 6)cu m, which is in good agreement with a volume of 5.3 times 10(exp 6)cu m inferred from gravity scaling of laboratory experiments. A layer of highly shocked material is also found near the surface outside the crater. The latter material could represent a fallout ejecta layer. The ejecta boulders recovered from the present crater floor experienced a range of shock pressures from approx. 0 to 15 GPa with the more heavily shocked samples all occurring between radii of 360 and approx. 600 m. Moreover, the fossil content, lithology and Sr isotopic composition all demonstrate that the initial position of the bulk of the heavily shocked rock ejecta sampled was originally near surface rock at initial depths in the 32 to 45-m depth (below sea level) range. The EPR technique is also sensitive to prehistoric shock damage. This is demonstrated by our study of shocked Kaibab limestone from the 49,000-year-old Meteor (Barringer) Crater Arizona.

Polanskey, Carol A.↗

A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientations relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.

36 MATERIALS SCIENCE↗

Avalanche boron fusion by laser picosecond block ignition with magnetic trapping for clean and economic reactor

Measured highly elevated gains of proton–boron (HB11) fusion (Picciotto et al. , Phys. Rev. X 4 , 031030 (2014)) confirmed the exceptional avalanche reaction process (Lalousis et al. , Laser Part. Beams 32 , 409 (2014); Hora et al. , Laser Part. Beams 33 , 607 (2015)) for the combination of the non-thermal block ignition using ultrahigh intensity laser pulses of picoseconds duration. The ultrahigh acceleration above $10^{20}~\text{cm}~\text{s}^{-2}$ for plasma blocks was theoretically and numerically predicted since 1978 (Hora, Physics of Laser Driven Plasmas (Wiley, 1981), pp. 178 and 179) and measured (Sauerbrey, Phys. Plasmas 3 , 4712 (1996)) in exact agreement (Hora et al. , Phys. Plasmas 14 , 072701 (2007)) when the dominating force was overcoming thermal processes. This is based on Maxwell’s stress tensor by the dielectric properties of plasma leading to the nonlinear (ponderomotive) force $f_{\text{NL}}$ resulting in ultra-fast expanding plasma blocks by a dielectric explosion. Combining this with measured ultrahigh magnetic fields and the avalanche process opens an option for an environmentally absolute clean and economic boron fusion power reactor. Finally, this is supported also by other experiments with very high HB11 reactions under different conditions (Labaune et al. , Nature Commun. 4 , 2506 (2013)).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A space-time smooth artificial viscosity method with wavelet noise indicator and shock collision scheme, Part 2: The 2-D case

This is the second part to our companion paper. Herein, we generalize to two space dimensions the C-method developed in for adding localized, space-time smooth artificial viscosity to nonlinear systems of conservation laws that propagate shock waves, rarefaction waves, and contact discontinuities. For gas dynamics, the C-method couples the Euler equations to scalar reaction-diffusion equations, which we call C-equations, whose solutions serve as space-time smooth artificial viscosity indicators for shocks and contacts. We develop a high-order numerical algorithm for gas dynamics in 2-D which can accurately simulate the Rayleigh-Taylor (RT) instability with Kelvin-Helmholtz (KH) roll-up of the contact discontinuity, as well as shock collision and bounce-back. Solutions to our C-equations not only indicate the location of the shocks and contacts, but also track the geometry of the evolving fronts. This allows us to implement both directionally isotropic and anisotropic artificial viscosity schemes, the latter adding diffusion only in directions tangential to the evolving front. We additionally produce a novel shock collision indicator function, which naturally activates during shock collision, and then smoothly deactivates. Moreover, we implement a high-frequency 2-D wavelet-based noise detector together with an efficient and localized noise removal algorithm. To test the methodology, we use a highly simplified WENO-based discretization scheme. We provide numerical results for some classical 2-D test problems, including the RT problem, the Noh problem, a circular explosion problem from the Liska & Wendroff [13] review paper, the Sedov blast wave problem, the double Mach 10 reflection test, and a shock-wall collision problem. In particular, we show that our artificial viscosity method can eliminate the wall-heating phenomenon for the Noh problem, and thereby produce an accurate, non-oscillatory solution, even though our simplified WENO-type scheme fails to run for this problem.

97 MATHEMATICS AND COMPUTING↗

Post-detonation fireball thermometry via femtosecond-picosecond coherent anti-Stokes Raman Scattering (CARS)

Accurate knowledge of post-detonation fireball temperatures is important for understanding device performance and for validation of numerical models. Such measurements are difficult to make even under controlled laboratory conditions. Here, temperature measurements were performed in the fireball of a commercial detonator (RP-80, Teledyne RISI). The explosion and fragments were contained in a plastic enclosure with glass windows for optical access. A hybrid femtosecond-picosecond (fs-ps) rotational coherent anti-Stokes Raman scattering (CARS) instrument was used to perform gas-phase thermometry along a one-dimensional measurement volume in a single laser shot. The 13-mm-thick windows on the explosive-containment housing introduced significant nonlinear chirp on the fs lasers pulses, which reduced the Raman excitation bandwidth and did not allow for efficient excitation of high-J Raman transitions populated at flame temperatures. To overcome this, distinct pump and Stokes pulses were used in conjunction with spectral focusing, achieved by varying the relative timing between the pump and Stokes pulses to preferentially excite Raman transitions relevant to flame thermometry. Light scattering from particulate matter and solid fragments was a significant challenge and was mitigated using a new polarization scheme to isolate the CARS signal. Fireball temperatures were measured 35–40 mm above the detonator, 12–25 mm radially outward from the detonator centerline, and at 18 and 28 µs after initiation. At these locations and times, significant mixing between the detonation products and ambient air had occurred thus increasing the nitrogen-based CARS thermometry signal. Initial measurements show a distribution of fireball temperatures in the range 300–2000 K with higher temperatures occurring 28 µs after detonation.

42 ENGINEERING↗

Dynamics of a high-current relativistic electron beam

The dynamics of a high-current relativistic electron beam is studied experimentally and by numerical simulation. The beam is formed in a magnetically insulated diode with a transverse-blade explosive-emission cathode. It is found experimentally that the radius of a 500-keV beam with a current of 2 kA and duration of 500 ns decreases with time during the beam current pulse. The same effect was observed in numerical simulations. This effect is explained by a change in the shape of the cathode plasma during the current pulse, which, according to calculations, leads to a change in the beam parameters, such as the electron pitch angle and the spread over the longitudinal electron momentum. These parameters are hard to measure experimentally; however, the time evolution of the radial profile of the beam current density, which can be measured reliably, coincides with the simulation results. This allows one to expect that the behavior of the other beam parameters also agrees with numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

X-rays from radio pulsars - The portable supernova remnants

Neutron stars are the longest-lived remnants of supernova explosions. As a reservoir of thermal energy remaining from the explosion and generated by frictional coupling between core and crust, as a storehouse of magnetic and rotational kinetic energy which allows the star to act as a high energy particle accelerator, and as the source of a deep gravitational potential which can generate heat from infalling matter, neutron stars remain capable of producing high energy radiation for a Hubble time. The results of an extensive survey of supernova remnants and radio pulsars performed with the imaging instruments on board the Einstein Observatory are reviewed and the implications of these results for pulsar physics and for the origin and evolution of galactic neutron stars are discussed.

Helfand, D. J.↗