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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multiscale numerical investigation of ratchet growth damage effects in PBX 9502

This paper presents results of numerical experiments conducted on the high explosive PBX 9502 to investigate how recently observed grain-scale damage mechanisms of ratchet growth affect uniaxial compression measurements. Simulations are multiscale in the sense of directly resolving grains, pores, cracks, and grain-interfaces based upon scanning electron microscope (SEM) images of damaged and undamaged samples. The combined finite-discrete element method (FDEM) is utilized to resolve both grain-scale microfracture and elastoplastic deformation of solid grains. Pristine (undamaged) and damaged microstructures are compared in simulation of unconfined compression tests of the same material from the literature. Here, the simulation results show the observed microscale mechanisms of damage, specifically microfracture predominantly around and sometimes through grains and crack-associated pore growth, can well-explain the effective degradation of strength and stiffness observed in the laboratory measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting the effects of thermally-induced density gradients on the hydrodynamic behavior of PBX 9502

High explosives are often exposed to thermal and mechanical stimuli within normal and abnormal environments. These stimuli can introduce density gradients in the explosive charge but the effect of such gradients is not well-understood. The goal of this work is to develop a comprehensive methodology to model the evolution of density gradients under various thermal conditions and then to predict shock initiation and detonation behavior of the gradated sample. PBX 9502 was chosen for these scoping studies because it has a large coefficient of thermal expansion and because the available shock initiation data indicates that initial temperature strongly affects the shock-to-detonation transition (SDT). The multiphysics code COMSOL was first used to model induced density gradients in a slab of PBX 9502 with asymmetric heating. Then, the gradated sample was constructed in the Pagosa hydrocode to simulate steel flyer impact scenarios, with SDT and detonation propagation following a calibrated Scaled Uniform Reactive Front (SURF) burn model. Furthermore, the gradated material exhibited very different initiation and corner turning behavior compared to homogeneous materials, and the orientation of the gradation was also found to have some effect. The methodology used here can estimate thermomechanical response of the material for non-uniform thermal environments and compute the resulting detonation properties of the PBX.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A study of shock initiation experiments for the explosive PBX 9502 using three reactive burn models

Shock to detonation transition (SDT) experiments are essential in calibrating and validating reactive burn models for explosives. This work investigates the large collection of SDT test data for the explosive PBX 9502 at ambient temperature that was presented by Gustavsen, Sheffield, and Alcon [Journal of Applied Physics, 99, 114907 (2006)]. We first analyze the experimental data and compare two different methods of determining the shock transition time/distance (namely, the bilinear method and the single-curve method). This reveals some of the uncertainty in estimating shock transition points, which contributes to scatter in Pop-plot data. Next, we compare the WSD, AWSD, and SURFplus reactive burn models for a collection of approximately 20 experimental shots using the FLAG hydrocode. Error estimates are used to quantify how well each reactive burn model (and their respective parameter calibrations) performs at predicting the SDT process for a range of loading conditions. Additionally, the importance of mesh resolution and numerical dissipation in SDT simulations will be assessed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Investigation of Surface Skidding Response of PBX 9501 and PBX 9502

Introduction: Assess the hazards of handling polymer bonder explosives(PBX) for the case of skidding with grit particles in the frictional interface. High explosive (HE) materials tested: PBX 9501 and 9502. High melting point materials at the skidding interface between HE and a substrate is known to increase the probability of ignition by creating hot spots not subject to reduced heating from the melting of HE material. Skidding occurred at peak forces of 6-26 kN normal force, and 0.6-3.4 kN of frictional force. Velocities for skidding range from 5-30 m/s, see figure 7. Sparse amounts of 300 μm silica grit is applied loosely to the HE surface before testing. Previous works have tested ignition by grit. Testing parameters include angle of impact, drop height, grit size, grit density, substrate material. This study focuses on pre ignition conditions and detailed thermal imaging of the frictional interface. Conclusions: Temperature hot spots were observed at high points in HE surface topology. These high points may be created by grit particles. Since these points impact first high frictional work is concentrated and quickly increases temperature. Small amounts of grit do not affect the overall frictional force but do concentrate the frictional work to create hot spots.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermally-Driven Changes to Porosity in TATB-Based High Explosives

Ultra-small- and small-angle neutron scattering techniques were employed to quantify thermally driven changes to the microstructure of the TATB-based composite high explosive, PBX 9502. Samples of PBX 9502 were studied in-situ at temperatures ranging from 25 to 220 °C and after re-equilibration at ambient temperature. Significant changes to the void size and morphology within the PBX 9502 microstructure were observed upon heating and are consistent with the known increase in the shock sensitivity of thermally-treated PBX 9502. More extensive microstructural changes were found after the thermally treated samples were re-equilibrated at ambient temperature. Utilizing a model of ramified porosity, the size and the volume and surface dimensions of voids in the PBX 9502 microstructure were quantified as a function of temperature. The temperature dependence of the void radius of gyration is well correlated with the known increase in the shock sensitivity of PBX 9502 with increasing temperature, providing a microstructural origin for the increased shock sensitivity of PBX 9502 at elevated temperatures.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Preshot Report for Carbonara: Dynamics of a Boron Carbide Sandwich

The main purpose of the Carbonara experiment is to provide much-needed data to inform physics modeling of boron carbide (B 4 C) subjected to a sweeping high explosive (HE) detonation. The proposed experiment will include three separate shots, each employing a rectangular slab of HE (4” × 3” × 1”) sandwiched between two wedges of B 4 C, see Fig.1. In each case the top B 4 C wedge tapers from a height of 2.5 cm to 0.5 cm, while the bottom wedge tapers from 1.5 cm to 0.5 cm. The wedges are 4” in the direction of the proton beam, and 3” in the direction transverse to the beam. Three shots are currently planned, each one using a different HE: PBX 9501, PBX 9502, and PBX 9701. The HE will be initiated using a line wave generator (LWG) to preserve planar symmetry, in conjunction with a Comp. B booster to smooth out the profile for the initial condition on the main charge and to aid in initiation of the PBX 9502 shot. In each case the booster spans the entire length and height of the main HE slab and extends 0.5” in toward the LWG.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental measurement of energy release from an initiating layer in an insensitive explosive

When subjected to a shock of insufficient strength to trigger prompt reaction, heterogenous condensed phase explosives can form regions where significant amounts of the explosive remain unreacted for times much greater than the reaction time of the detonating explosive. This phenomena is observed for the explosive PBX 9502 (95 wt% TATB) both for planar and oblique input shocks. Here, we build on previous results by performing cylinder expansion (CYLEX) tests where the explosive charge is comprised of a faster core of PBX 9501 (95 wt% HMX) inside a slower annulus of PBX 9502. The detonation in the faster PBX 9501 drives an oblique shock into the adjacent PBX 9502, and an annular transverse initiating layer (IL) results. In the test geometry, the IL travels steadily down the length of the test after a short run distance. At radial positions beyond the IL, an annular region of detonating PBX 9502 is observed. Using standard CYLEX test diagnostics, we infer the total energy release of this experiment. By making the assumptions that (1) the combined energy release is comprised of contributions from detonating PBX 9501, detonating PBX 9502, and the IL in the PBX 9502 and (2) mass-specific energy release for the detonating explosives is approximately the same as typically observed for each explosive, the IL energy release and reaction efficiency can be computed. Results are compared to prior results for a similar geometry, and indicate that while shock deadened PBX 9502 does not detonate promptly, it does eventually release a significant portion of its chemical potential energy over longer timescales on the order of 10 µs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Validation of a detonation product equation of state for an insensitive high explosive via slab geometry expansion tests

Slab expansion (SLABEX) tests are conducted to validate a process for calibrating the detonation products equation of state (EOS) of a high explosive (HE). The SLABEX tests use rectangular slabs of PBX 9502, a polymer-bonded HE formulation consisting of 95 wt.% 1,3,5-triamino-2,4,6-trinitrobenzene bound with Kel F-800, a co-polymer of chlorotrifluoroethylene and vinylidene-fluoride. Three PBX 9502 slab thicknesses are examined, each confined symmetrically by two rectangular copper (Cu) plates approximately one-tenth the thickness of the HE slab. For the duration of each experiment, the detonation flow along the central axis of the PBX 9502 slab remains two-dimensional. The lateral flow velocity component of the outer surfaces of the expanding Cu plates is measured, along with the steady axial detonation speed along the central axis of the SLABEX. Hydrodynamic simulations of the Cu plate expansion in the SLABEX geometry, driven by the energy stored in the detonation products by the detonation combustion event, are conducted using a Jones–Wilkins–Lee EOS for the detonation products. This EOS form was recently parameterized for PBX 9502 in the cylinder expansion test geometry using a newly developed calibration technique [Voelkel et al., Combust. Flame 246, 112373 (2022)]. Good agreement between the experiment and prediction is found in each SLABEX test, demonstrating that the detonation product EOS calibration technique produces EOSs that are predictive when applied to other geometries.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Uncertainty Quantification Enabled by Automatic Differentiation for Hydrodynamic Simulation of Shock‐to‐Detonation Transition in High Explosives

Quantifying the effects of uncertainty in a reactive burn model on the run-to-detonation time in high explosives (HEs) provides a robust methodology for assessing the probability of an HE failing the IHE qualification standard. Moreover, uncertainty quantification helps evaluate whether the model calibration accurately represents data outside the calibration set. This study uses a specialized hydrodynamic simulation code for modeling detonation to determine the run-to-detonation time of the HE PBX 9502 for various impact velocities. To quickly approximate uncertainties in the model, a surrogate was constructed using a Taylor series expansion centered at the mean of the input parameters. To obtain the sensitivities required for constructing the Taylor series, HYP-percomplex Automatic Differentiation (HYPAD) was implemented. HYPAD is a methodology for infusing existing codes with automatic differentiation capabilities by augmenting variables with one or more imaginary units to compute step-size independent partial derivatives. These derivatives are accurate to machine precision with respect to the implemented numerical algorithm, meaning their accuracy reflects that of the underlying method (e.g., integration or discretization schemes). Using reduced order modeling techniques, the mean and standard deviation of the run-to-detonation time of a shock within PBX 9502 were computed for a number of initial impact velocities. A weighted least squares regression was then performed to obtain a best fit curve and prediction interval for the computed statistics. Historical data points from explosively driven wedge tests were utilized to validate the prediction interval, ensuring its reliability in predicting future outcomes. With this prediction interval and a known safety constraint curve, the most probable point of failure and the probability of failure for the HE PBX 9502 were determined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Temperature-based reactive flow model for TATB plastic bonded explosives

A new reactive flow model is presented for TATB-based plastic bonded explosives, applicable to shock initiation and detonation problems of differing initial temperature. Temperature disequilibrium is assumed between unreacted explosive, material in the vicinity of compressed defects (called hot spots), and detonation products. The model incorporates temperature-dependent decomposition reaction rates. Arrhenius model parameters were derived from subscale quantum-based molecular dynamics simulations of shock-induced TATB decomposition. Further, a model of detonation carbon aggregation is incorporated, describing the late-time slow release of energy inherent to detonation in TATB-based materials. The predictive ability of the model in the shock initiation regime is tested against recent thin pulse experiments on PBX 9502. Here, the model is found to perform equally well in predicting the size effect curve of ambient, cold, and hot PBX 9502 rate sticks.

Chemistry - Chemical explosives↗
DOE OSTI2025

Equation of state measurement of detonation carbon condensates using optical microscopy and interferometry

Thermochemical models of detonation that estimate performance (e.g., detonation velocity, energy delivery, etc.), are based on assumptions that carbon condensates (soot) formed during detonation is largely similar to bulk carbon. However, soot constituents can range from amorphous carbon to nanodiamond and include other material phases. Since thermodynamic properties of the soot such as compressibility are imperative for accurate thermochemical modeling of detonation reaction chemistry, experimental measurements of the equation of state (EOS) which determine the compressibility are vital. Due to the mixed-phase nature of detonation soot, typical methods to measure the EOS (e.g., x-ray diffraction) are untenable. In this study, the high-pressure EOS up to 20 GPa was determined for detonation soot collected from PBX 9502, Composition B (Comp B), Hexanitrostilbene (HNS), and LX-21 high explosives by employing a direct volume technique using optical microscopy and interferometry in a diamond anvil cell. Comp B soot was determined to be the least compressible [K 0 = 57.9(17) GPa] with HNS soot [K 0 = 53.7(15) GPa], LX-21 soot [K 0 = 45.8(51) GPa], and PBX 9502 soot [K 0 = 28.2(27) GPa] being more compressible, likely due to differences in nanodiamond content as compared to amorphous carbon and graphite content.

Amorphous materials↗
DOE OSTI2025

Characterizing IHE Response to Multiple Shock Loading

The response of high explosives to shock loading is traditionally measured with a steady loading pressure. In many accident scenarios involving fragment impact, however, a loading duration that is shorter than the build up to detonation may occur. Fragments passing through multiple materials before reaching a high explosive charge may produce loading that is comprised of more than one shock wave. Additionally, the build up to detonation in high explosive corner turning loads the explosive a short duration pressure pulse, since rarefactions can often rapidly overtake the reactive wave. For these reasons, we have studied the response of the insensitive high explosive (IHE) materials PBX 9502 and LX-17 to complex loadings of varied intensity and duration. We refer to a single loading of limited duration as a “thin pulse”, whereas more complex scenarios were studied with an impactor that produces a double shock in the explosive. The following report presents experimental data and analyses of thin pulse shock initiation and double shock experiments designed to guide development of models of Insensitive High Explosives (IHEs) under controlled one-dimensional conditions relevant to accident scenarios and corner turning. Thin pulse shock initiation data on PBX 9502 and LX-17 were obtained under varied pulse duration, pressed density, and temperature conditions in order to probe various parameters essential for the development of a physics-based Cheetah reactive flow hotspot model. In situ pressure gauges provide insight into the degree of reaction in the explosive that are not obtainable with optical PDV measurements or distance measurements such as run to detonation. Double shock data was obtained to inform a Composition Aware Cheetah model which can be applied to any TATB-based IHEs. This model supports efforts to find a new IHE formulation and potentially incorporate new binders into IHE formulations. Simulations of each experiment are included to demonstrate the utility of these focused experiments to developing models of HE behavior. One-dimensional gas gun experiments are essential for characterizing shocked HE behavior and informing HE models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Mechanical and thermomechanical properties of an LLM-105 based PBX high explosive with and without accelerated aging

In this paper we present measurements and analysis on the mechanical and thermomechanical properties of the LLM-105 based plastic bonded high explosive RX-55-DQ. Specifically we present uni-axial compression, and thermal measurements (CTE and ratchet growth), and for some of the measurements we provide a comparison to measurements on TATB-based PBX 9502. We also present the same mechanical property measurements performed on RX-55-DQ samples that underwent accelerated aging.

thermomechnical properties↗
DOE OSTI2022

Review of the Effects of Polymer Binder Properties on Microstructure and Irreversible Volume Growth of Plastic Bonded Explosives Formulations

The rational design of effective polymeric binders for the formulation of plastic-bonded explosives (PBX) is challenging due to their inherent compositional complexity. The composites comprise irregularly shaped energetic material (EM) powders coated with low weight fractions of polymer via non-equilibrium processes such as slurry coating. Defects can deleteriously affect PBX stability and performance: nano- to micrometer-scale voids can act as loci for hot spots, lowering deflagration and detonation temperatures in unpredictable ways. Furthermore, some nominally desirable polymer properties are at odds with each other: e. g. good flow characteristics are desirable for coating and adhesion, but mechanical stiffness is needed to prevent deformation and cracking of PBX under mechanical stress. Good binder adhesion is critical, but the best means to predict and measure adhesion in PBX is not obvious. Experimental methods of determining binder adhesion on model surfaces may not capture polymer structural configurations relevant to deposition during coating. Molecular dynamics-based computational models have predicted key observables in PBX formulation, suggesting that they may be powerful tools for binder selection. In this review, primarily recent (~2006 and later) literature on polymeric binders for insensitive HE (IHE) is surveyed. We focus on how binder properties influence observable PBX properties as resistance to irreversible volume growth and void formation in PBX formulations mainly (but not exclusively) featuring 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) as the EM (e. g. PBX 9502, LX-17 and others). Conclusions from these studies yield useful guidelines for choosing HE binder candidates, as well as for the general design of highly-filled polymer composite materials. Finally, studies describing challenges in PBX formulation with the newer and more energetically dense high explosive, LLM-105, will be discussed.

adhesion↗
DOE OSTI2020

Microcomputed X-Ray Tomographic Imaging and Image Processing for Microstructural Characterization of Explosives

Microstructural characterization of composite high explosives (HEs) has become increasingly important over the last several decades in association with the development of high fidelity mesoscale modeling and an improved understanding of ignition and detonation processes. HE microstructure influences not only typical material properties (e.g., thermal, mechanical) but also reactive behavior (e.g., shock sensitivity, detonation wave shape). A detailed nondestructive 3D examination of the microstructure has generally been limited to custom-engineered samples or surrogates due to poor contrast between the composite constituents. Highly loaded (>90 wt%) HE composites such as plastic-bonded explosives (PBX) are especially difficult. Here, we present efforts to improve measurement quality by using single and dual-energy microcomputed X-ray tomography and state-of-the-art image processing techniques to study a broad set of HE materials. Some materials, such as PBX 9502, exhibit suitable contrast and resolution for an automatic segmentation of the HE from the polymer binder and the voids. Other composite HEs had varying levels of success in segmentation. Post-processing techniques that used commercially available algorithms to improve the segmentation quality of PBX 9501 as well as zero-density defects such as cracks and voids could be easily segmented for all samples. Aspects of the materials that lend themselves well to this type of measurement are discussed.

36 MATERIALS SCIENCE↗