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At least 307 records · Page 17

New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons

We developed a new equation of state (EOS) for nanocarbons in the thermodynamic range of high explosives detonation products (up to 50 GPa and 4000 K). This EOS was fitted to an extensive database of thermodynamic properties computed by molecular dynamics simulations of nanodiamonds and nano-onions with the LCBOPII potential. We reproduced the detonation properties of a variety of high explosives with the CARTE thermochemical code, including carbon-poor and carbon-rich explosives, with excellent accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Aqueous density fractionation of nanocarbons from colliding-wave PBX9502 detonation soot

The study of solid carbon (nanocarbon) nucleation and growth from detonating high explosives is limited because of the difficulty directly evaluating chemical reactions behind the shock front. Understanding the correlation between detonation conditions and nanocarbon formation requires isolation, purification, and analysis of the carbon products. Aqueous density fractionation of products recovered from a colliding wave TATB-based high explosive (PBX9502) detonation are evaluated as an environmentally benign, “green” chemical processing approach for the separation of carbon materials from metal and metal oxide byproducts. Recovery of material sufficient for X-ray scattering analysis was obtained in two fractions. X-ray scattering showed the less dense fraction (ρ < 1 g/cm 3 ) contains hollow spherical core (d avg = 27.8 nm) nanoparticles with a shell (thickness=3.6 nm) composed of predominately sp 2 hybridized carbon. Particles contained within the dense fraction (ρ > 1 g/cm 3 ) were a mixture of oblate spheroids (major axis length=43.8 nm and minor axis=2.9 nm) and small polydisperse solid spherical particles (d avg = 2.4 nm) composed of both sp 2 and sp 3 bonded carbon with residual contamination from the brass detonators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling detonation with CartaBlanca simulations

The accurate modeling of high explosive (HE) detonation and the con- sequent large solid deformation, failure, plastic flow, porosity growth, and shock wave propagation is important because simulations can capture spatial and temporal features that experimental diagnostics cannot capture. However, the simulation of the explosive event poses challenges to a computational scientist. These include the accurate modeling of ductile damage, crack formation, plastic deformation, as well as physical and nu- merical instabilities. The material response can be history-dependent and subject to large material deformation. Our research simulates the impact of a high explosive (Detasheet) onto a tantulum metal plate. We performed the simulations using CartaBlanca at different mesh resolutions. We decided the study would be impactful if we perform the simulations with the Material Point Method. Differences were observed at the different mesh resolutions in velocity and nodal stress magnitude, so increased mesh resolutions may be required. In addition, the Discontinuous Galerkin method would be needed to account for the large gas expansion.

97 MATHEMATICS AND COMPUTING↗

Three-Dimensional Microwave Imaging of Detonation Fronts

Microwave signals provide high penetration and favorable resolution in high-explosive materials, and as a result microwave interferometry has previously been studied for the characterization of propagating detonation fronts during explosive events. This work expands on previous 1-dimensional experimental work by investigating the feasibility of detonation front imaging using a non-iterative time reversal algorithm. The results of this computational study indicate that microwave time reversal imaging can successfully resolve the shape and location of detonation fronts within the interior of high explosive materials. These results pave the way for the development of a new microwave-based diagnostic that will help to answer important questions related to HE properties.

42 ENGINEERING↗

Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials

In this work, shock-induced reactions in high explosives and their chemical mechanisms were investigated using state-of-the-art experimental and theoretical techniques. Experimentally, ultrafast shock interrogation (USI, an ultrafast interferometry technique) and ultrafast absorption spectroscopy were used to interrogate shock compression and initiation of reaction on the picosecond timescale. The experiments yielded important new data that appear to indicate reaction of high explosives on the timescale of tens of picoseconds in response to shock compression, potentially setting new upper limits on the timescale of reaction. Theoretically, chemical mechanisms of shock-induced reactions were investigated using density functional theory. The calculations generated important insights regarding the ability of several hypothesized mechanisms to account for shock-induced reactions in explosive materials. The results of this work constitute significant advances in our understanding of the fundamental chemical reaction mechanisms that control explosive sensitivity and initiation of detonation.

36 MATERIALS SCIENCE↗

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization

Equations of state (EOSs) are a key component in running hydrodynamic simulations as they relate the thermodynamic states for the material. The Davis reactants EOS is commonly used for modeling high explosives (HEs), and the EOS model parameters are calibrated using material specific data. The calibrations are often performed with uncertainty quantification via Bayesian inference to account for uncertainty in the data and generate ensembles of likely parameters. However, there are relatively few HE data sets to use for calibration and many are historical and lack error information. In this work, we simultaneously calibrate the Davis reactants EOS model parameters and unknown data error terms for the high explosive PBX 9501. To quantify the uncertainty in the models and the data, we use a Bayesian framework for the calibration and compute the hierarchical Bayesian posterior distribution with both a posteriori maximization approach and Markov Chain Monte Carlo. In general, we find that, given our assumptions, the two approaches result in similar calibrated parameters, posterior covariance matrices, and insights about the parameters but that the posterior maximization requires far less computational resources.

97 MATHEMATICS AND COMPUTING↗

Ways to Increase Launch Velocities of 2-Stage Gas Guns

The amount of space debris is rapidly increasing and the debris is distributed over a wide variety of orbits. Satellites, manned space vehicles and space stations will have to pay increasing attention to the dangers of impacts with space debris. Various armoring techniques (i.e., double or triple layer armor) will have to tested extensively to determine the most effective armor per unit weight. Intersecting near-earth orbits can lead to impact velocities up to 15 km/sec. Conventional two-stage light gas guns can launch intact, controlled-shape projectiles with a density of 1.2 gm/cc and length- to-diameter ratios of 0.5-1.0 at velocities up to 8-9 km/sec. Higher velocities (10-11 km/sec) can be obtained' for very light projectiles. The higher launch velocities tend to be very severe on the high pressure coupling and barrel of the gun and lead to short component lifetimes. Clearly, the ability to raise the launch velocity of a gun (for reasonably massive projectile shapes) from 8-9 km/sec to 11-13 km/sec (or higher), without reduction of component lifetimes, would have significant benefits. This would allow much better simulation of the higher velocity debris impacts as well as better simulation of high speed re-entry into planetary atmospheres. Several techniques for increasing the launcher muzzle velocity above 8-9 km/sec have been studied using CFD simulations and appear to offer the potential for significant gains. The first technique is to use multiple compressions, instead of a single compression, in the pump tube of the light gas gun. In a sense, this is a kind of pre-heating of the gas in the pump tube; other types of pre-heating have yielded disappointing results in the past. The dynamics of the multiple compression pump tube is very different, however, from the earlier techniques, where the pump tube was typically heated ohmically before the gun 2 cycle was started. In this paper, we present CFD calculations that show that significant increases in muzzle velocity can be obtained with multiple compressions in the pump tube. With a conventional two-stage gun, an important limitation to obtaining higher velocities is friction and heat transfer to the barrel, which typically has a length- to- diameter ratio of 200-400. These viscous losses greatly reduce the effectiveness of the regions of the barrel far removed from the second stage breech. We have studied computationally the effect of adding an additional breech (or breeches) along the barrel to reduce these viscous losses. Velocity increases from 6.5 to 7.2 km/sec have been obtained using the main breech and one additional breech. In these results, both breeches were operated with hydrogen, heated electrothermally. We have also studied a gun geometry where the main breech is operated in the conventional manner, using piston compression. The additional breech is operated either with electrothermal heating or heating by using a high explosive charge in a novel geometry. The latter option provides very effective compression, heating and acceleration of the hydrogen working gas and is fully reusable. Calculations are presented which show that very substantial increases in muzzle velocity can be obtained this way, without overstressing the projectile or the 'gun. The third technique studied is to add a section of ram accelerator tube after the barrel to further accelerate the projectile. The ram accelerator used here is not the conventional premixed gas ram accelerator, but a new technique using high explosive as the energy source and pure hydrogen as the working gas in a geometry which can be made fully reusable. Preliminary results with this new rain accelerator geometry were presented and showed that stable ram accelerator drive can be established. Herein, detailed calculations axe presented which show that substantial velocity increases can be obtained using this ram accelerator technique in tandem with a conventional light gas gun.

Bogdanoff, David W.↗

Numerical calculation of shock-induced initiation of detonations

Results of numerical calculations of the impact of steel cylinders and spheres on the plastic bonded high explosive PBX 9501 are described. The calculations were carried out by a reactive, multicomponent, two dimensional, Eulerian hydrodynamic computer code, 2DE. The 2DE computer code is a finite difference code that uses the donor acceptor cell method to compute mixed cell fluxes. The parameters in the Forest Fire burn model are developed from experiments where the induced shock approximates a plane wave and are applied, in this case, to a situation where the induced shock is a divergent wave with curvature that depends on the size and shape of the projectile. The calculated results are compared with results from experiments involving instrumented mock and live high explosives, with projectiles of varying size, shapes, and velocities.

Cort, G. E.↗

Experimental and numerical investigations of beryllium strength models using the Rayleigh-Taylor instability

We present a set of high explosive driven Rayleigh-Taylor strength experiments for beryllium to produce data to distinguish predictions by various strength models. Design simulations using existing strength model parameterizations from Steinberg-Lund and Preston-Tonks-Wallace (PTW) suggested an optimal design that would delineate between not just different strength models, but different parameters sets of the PTW model. Application of the models to the post-shot results, however, suggests growth consistent with little material strength. We focus mostly on efforts to simulate the data using published strength models as well as the more recent RING relaxation model developed at VNIIEF. The results of the strength experiments indicate weak influence of strength in mitigating the growth with the RING model coming closest to predicting the material behavior. Finally, we present shock and ramp-loading recovery experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hydrogeologic Setting and Groundwater Contaminant Conceptual Model, Los Alamos National Laboratory - 18681

Our understanding of the complex hydrogeologic setting at Los Alamos National Laboratory (LANL) has evolved significantly over the previous decade. The semi-arid, high-desert setting consists of generally dry drainages in canyons that head either in uplands to the west of the Laboratory or on the high mountain-front plateau where the Laboratory is spread across approximately 40 square miles. Some canyon drainages have spatially limited reaches with perennial surface water from natural runoff and spring sources and/or from permitted effluent sources. The Rio Grande rift basin-fill stratigraphy includes primary volcanic deposits from pyroclastic eruptions and intermediate composition lava flows, and fluvial and alluvial fan deposits. Highly complex and spatially variable stratigraphy governs the occurrences of three groundwater zones: shallow 'alluvial groundwater', deep perched groundwater, and a thick 'regional' aquifer that is the water supply for the community of Los Alamos and the Laboratory. The current understanding of the hydrogeologic framework was greatly expanded as part of a site hydrogeologic characterization program completed in 2005. Higher resolution information exists in area where more detailed groundwater characterization has been conducted to support specific project objectives. A conceptual model for occurrences of contaminants in each of the three groundwater zones is governed by four factors: contaminant solubility/mobility, the mass of historical release, presence of a continuous hydraulic driver, and 'breakthrough' geology, defined as geology conducive to infiltration of shallow groundwater to deeper groundwater zones. The Laboratory's operations were historically somewhat spatially partitioned. Most of the radionuclide work (and historical releases) was conducted in the northern portion of the Laboratory, high explosives work has taken place exclusively in the southwestern portion, and treated sanitary effluent was released at a limited number of outfalls. Historical material disposal areas (MDAs) are dispersed throughout the Laboratory, and active MDAs are all located on a single dry mesa at the eastern part of the Laboratory. Evidence exists of transport of anthropogenic constituents to the regional aquifer. However, years of groundwater characterization have identified only two cases for which all the key factors were present and a complete contaminant pathway to the regional aquifer has resulted in contamination at levels above an applicable standard. Hexavalent chromium contamination associated with historical use as a corrosion inhibitor in a power plant is present beneath Mortandad Canyon, and RDX contamination associated with high-explosives machining is present beneath Canon de Valle. Each of those project areas have refined conceptual and numerical models that address contaminant migration pathways, spatial extent of perched-intermediate groundwater, mass balance, and fate and transport within the regional aquifer. No known contamination is present in the regional aquifer associated with MDAs, and interestingly, much of the Laboratory's groundwater background dataset is from wells located beneath active MDAs. A comprehensive groundwater monitoring program is in place to track the evolution of chromium and RDX contamination, and to identify any other constituents that may be attributable to historical LANL operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Warhead verification as inverse problem: Applications of neutron spectrum unfolding from organic-scintillator measurements

Verification of future warhead-dismantlement treaties will require detection of certain warhead attributes without the disclosure of sensitive design information, and this presents an unusual measurement challenge. Neutron spectroscopy—commonly eschewed as an ill-posed inverse problem—may hold special advantages for warhead verification by virtue of its insensitivity to certain neutron-source parameters like plutonium isotopics. In this article, we investigate the usefulness of unfolded neutron spectra obtained from organic-scintillator data for verifying a particular treaty-relevant warhead attribute: the presence of high-explosive and neutron-reflecting materials. Toward this end, several improvements on current unfolding capabilities are demonstrated: deuterated detectors are shown to have superior response-matrix condition to that of standard hydrogen-base scintintillators; a novel data-discretization scheme is proposed which removes important detector nonlinearities; and a technique is described for re-parameterizing the unfolding problem in order to constrain the parameter space of solutions sought, sidestepping the inverse problem altogether. These improvements are demonstrated with trial measurements and verified using accelerator-based time-of-flight calculation of reference spectra. Then, a demonstration is presented in which the elemental compositions of low-Z neutron-attenuating materials are estimated to within 10%. These techniques could have direct application in verifying the presence of high-explosive materials in a neutron-emitting test item, as well as other for treaty verification challenges.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗

On The Deflagration to Detonation Transition in 1.65 g cm -3 Pentaerythritol Tetranitrate

The LANL Weapons Response Group is charged with making determinations for a wide range of scenarios regarding the probability that inadvertent ignition of the high explosive (HE) components might cause nuclear yield, or dispersal of special nuclear material, during assembly/disassembly operations at the Pantex Plant. These scenarios are categorized based on the nature of the ignition causing stimulus, i.e. impact, electrostatic discharge, pressure-shear, etc. However, for all of these scenarios, regardless of how ignition is achieved, there must also be a credible path for the burning HE to transition to detonation for yield or dispersal to occur. If it can be determined that there is no feasible path for deflagration-to-detonation transition (DDT), the scenario space that requires mitigative action is greatly reduced. The strategy to support Weapons Response determinations is to use experimentation and observation to evaluate HE response in severe “overtest” configurations. To increase with confidence in the margins of HE response, these overtests are designed, by controlling parameters known to enhance HE response violence, to be more severe than what is ever encountered in the actual operations environment at the Plant. This study is focused on DDT in pentaerythritol tetranitrate (PETN), a high explosive that is used in LANL’s detonators. PETN is known to be able to DDT at certain densities, and this represents a safety concern. The PETN in LANL’s detonators is commonly a density of 1.65 g cm -3 . However, DDT has never been observed at this density in PETN. In this work, we studied the DDT reaction in 1.65 g cm -3 PETN to determine whether DDT is possible at this density, and if so, what length of PETN is required for the transition to occur. In any of the tests conducted, we did not observe DDT in 1.65 g cm -3 PETN. It is possible that the DDT length for 1.65 g cm -3 PETN is greater than 6” (the available run length in the experiments), but this length is simply not available in a detonator, and is therefore not a concern.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Thermal Decomposition Kinetics of 4,6‐Diamino‐5,7‐dinitro‐benzo‐furazan

This experimental study investigated the thermal decomposition kinetics of 4,6-diamino-5,7-dinitro-benzo-furazan (referred to as F1 hereafter)—an important decomposition product of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB—a prototypical insensitive high explosive). Simultaneous differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and mass spectrometry (MS) measurements were employed to determine the decomposition kinetics of F1 and to track the evolution of product gases. The DSC profiles were measured at 10 different heating rates between 0.025°C/min and 10°C/min. The measured exotherms were influenced by F1 melting at heating rates above 0.25°C/min, and corresponding changes in decomposition enthalpy and TGA mass-loss-rate profiles indicated a transition from solid-to-gas decomposition to an increasing contribution from liquid-to-gas decomposition. Analysis of low-heating-rate DSC data between 0.025°C/min and 0.17°C/min with the extended Prout–Tompkins model yielded an activation energy of 305 kJ/mol for solid-to-gas F1 decomposition, higher than previous values inferred from TATB decomposition models involving F1. This study provides the first direct experimental determination of the energy barrier for F1 decomposition. MS measurements showed that the major gaseous products matched species previously reported for TATB decomposition (e.g., CO 2 , HCN, C 2 N 2 , etc.), with water identified as the dominant product. Furthermore, these results provide important experimental constraints for improving chemical kinetics models of TATB decomposition and for predicting the reactivity, stability, and safety of TATB-based high explosives under long-term aging conditions and abnormal thermal environments.

4,6-Diamino-5,7-dinitro-benzo-furazan↗

LA-R43S6-L1 Postshot Report [Slides]

The Ranchero LA-R43S6-L1 test (formerly referred to as LA-43S-L1. The R specifically designates it is a Ranchero device and the 6 indicates a 6” high explosive charge diameter in anticipation of using larger diameters in the future.) was conducted on 3/8/17 with good success. The experiment was the first test of a “Swooped” Ranchero flux compression generator (FCG), and the load for the test was an aluminum imploding liner. In addition to the swoop, the stator was anodized to provide an insulating layer instead of one or more layers of polyethylene as had been the case for all earlier Ranchero tests. Using the Firing point TA-39-88 capacitor bank, 3.5 MA was delivered to the FCG for the initial magnetic field, and 36.4 MA were delivered to the load having an initial inductance of 2.5 nH. Implosion speeds over 1.1 cm/us were recorded, which exceeds previous LANL solid liner experimental results. The test was diagnosed with 18 PDV channels, 12 of which recorded liner implosion data, and the other 6 of which tracked the FCG armature during flux compression. These armature expansion data recorded during flux compression are the first of their kind, and it was previously unknown, due to unknown effects of the SF 6 in the flux compression volume, whether or not the expansion could be recorded using the PDV technique. Post shot 2D MHD calculations employed a complete external circuit model, and an improved flux diffusion model not available prior to the test. Results from these simulations show very good agreement with the experimental result. Four PDV channels recorded the liner implosion viewed radially outward from the center of the liner. All four of these probes recorded implosion velocities greater that 1 cm/µs, with the cylindrical center displaced by ~2 mm from actual center. Four PDV channels looked at +10° angles from the CMU wall, and four looked at -10° angles. A glide plane interaction is shown moving toward the center of the liner in MHD calculations, and PDV probes provide confirmation. The high explosive (HE) in the LA-R43S6-L1 test was PBX 9501 which had to be glued together in many pieces, and the test was preceded by a camera test to verify that the PBX 9501 could be assembled with acceptable tolerance in glue joints to prevent severing the armature during expansion. The camera test verified an acceptable armature performance, and results are given in complete detail in a post shot report LA-UR-19-20124, and summarized here. This report provides complete detail of the considerable body of data obtained on the test and in the post shot calculations. It is prepared in Power Point for ease of preparation and future review. Shot documentation available in the LANL on-line library are included as references, and non-referenceable documents will be cited and stored in an LA- R43S6-L1 post shot folder stored on an M-6 shared drive. Fabrication drawings are also maintained in an M-6 shared drive and paper files are available from M-6 personnel. This report will be maintained as a PowerPoint document on the shared drive, as well, since included movies will play and graphs from Excel files retain information in the PowerPoint versions. PDF versions are required for clearance and are not to large to send by e-mail.

42 ENGINEERING↗

LIHE Spectral Dynamics and Jaguar Data Acquisition System Measurement Assurance Results 2014

The Light Initiated High Explosive (LIHE) facility performs high rigor, high consequence impulse testing for the nuclear weapons (NW) community. To support the facility mission, LIHE's extensive data acquisition system (DAS) is comprised of several discrete components as well as a fully integrated system. Due to the high consequence and high rigor of the testing performed at LIHE, a measurement assurance plan (MAP) was developed in collaboration with NW system customers to meet their data quality needs and to provide assurance of the robustness of the LIHE DAS. While individual components of the DAS have been calibrated by the SNL Primary Standards Laboratory (PSL), the integrated nature of this complex system requires verification of the complete system, from end-to-end. This measurement assurance plan (MAP) report documents the results of verification and validation procedures used to ensure that the data quality meets customer requirements.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Scaling Turbulent Combustion Fields in Explosions

We considered the topic of explosions from spherical high-explosive (HE) charges. We studied how the turbulent combustion fields scale. On the basis of theories of dimensional analysis by Bridgman and similarity theories of Sedov and Barenblatt, we found that all fields scaled with the explosion length scale r0. This included the blast wave, the mean and root mean squared (RMS) profiles of thermodynamic variables, combustion variables, velocities, vorticity, and turbulent Reynolds stresses. This was a consequence of the formulation of the problem and our numerical method, which both satisfied the similarity conditions of Sedov. We performed numerical simulations of 1 g charges and 1 kg charges; the solutions were identical (within roundoff error) when plotted in scaled variables. We also explored scaling laws related to three-phase pyrotechnic explosions. We show that although the scaling formally broke down, the fireball still essentially scaled with the explosion length scale r0. However, the discrete Lagrange particles (DLP) (phase 2) and the heterogeneous continuum model (HCM) of the DLP wakes (phase 3) did not scale with r0, and mean and RMS profiles could differ by a factor of 10 in some regions. This was because the DLP particles and wakes introduced an additional scale that broke the similarity conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗