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FOUNDATIONS OF CIVIL AND ENVIRONMENTAL ENGINEERING

No. 1

2008

Cyril GRUAU, Didier PICART*


CEA Le Ripault, F-, 37260 Monts, France.

NUMERICAL PREDICTION OF HIGH EXPLOSIVE IGNITION UNDER LOW VELOCITY IMPACT


Received: 21 July 2008 Accepted: 7 November 2008

In the framework of low velocity impact studies, dedicated to safety analyses of plastic bonded explosives (PBX), we propose a numerical tool, designed for predicting the ignition of a HMX (high melting point explosive) based composition. The major results are the use of a concrete-like constitutive law for the PBX and an efficient implementation of an ignition criterion. It has been shown that the calculation tool is able to accurately predict the results when the ignition is diluted. For localized ignition into shear bands or macro cracks, some differences between numerical and experimental results have been discussed..

Key words: energetic materials, ignition, finite element simulations, cracks

1. INTRODUCTION
The high explosive (HE) of interest is composed of a poly-dispersed distribution of HMX grains (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) which are mixed with several per cent of polymeric binder. An isostatic compaction process is used to reduce the porosity. Its mechanical response is similar to the behavior exhibited by PBX9501 (95%wt. HMX, 5%wt. binder) or EDC37 (91%wt. HMX, 9%wt. binder)- two similar compositions [1]. Pyrotechnic devices during their lifecycle are subjected to normal loadings such as temperature variations or transport induced vibrations or accidental
Corresponding author. Tel.: +33-(0)2-4734-4173; fax: -. E-mail address: didier.picart@cea.fr (D. Picart)
Publishing House of Poznan University of Technology, Pozna 2008 ISSN 1642-9303
*

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loadings and among these a specific attention is focused on low energy impacts. The artificial difference between low and high energy impacts is due to the violence of the obtained reaction. For high energy mechanical insults, the energetic material is subjected to a pressure above 1 GPa applied during a short characteristic time of 1 s. A shock-to-detonation transition is exhibited leading to a violent burst. Such a mechanism was widely studied in the last century and engineering models can be found to predict its occurrence. For low velocity mechanical impacts, ignition of the energetic material can also be observed, leading to a combustion or a deflagration. Several impact conditions could generate this reaction. Here, we will limit our attention to one kilogram projectiles (steel made, with a 60 mm diameter, hemispherical or flat nosed), launched at 50-100 m/s on axisymetrical targets (the HE being confined between two metallic plates with a thickness ranging from 1 to 20 mm) [2,3]. Numerical simulations and measurements have shown that a mean pressure of few kilobars is applied and the reaction is observed approximately 50 s after impact. Safety analyses of pyrotechnic structures involve many parameters such as target configuration (shape, materials and boundary conditions) and mechanical loadings (characteristics of the projectile and its movement law), which prevents us from dealing only with the experimental techniques. On the other hand, the prediction of the violence of the reaction is hardly tractable. Hence, we have chosen to focus our attention on the ignition stage which is the very first phenomenon that must be correctly predicted in the framework of safety analyses. The aim of this paper is to describe the numerical tool designed for the ignition prediction. This tool is based on a finite element code, a concrete-like constitutive law whose parameters have been determined for the studied material and an ignition threshold. Then, the needs related to numerical techniques and constitutive laws in order to deal with localized ignition are detailed and discussed.

2. A NUMERICAL TOOL FOR IGNITION PREDICTION 2.1. Ignition threshold


Deflagrations and detonations induced by low velocity impacts are not the results of shock-to-detonation transitions, since the pressures generated by these impacts are too low. We actually considered that the material ignites when a sufficient mechanical energy is locally dissipated in the vicinity of defects within the HE microstructure. Investigations are being made to identify and model the involved hot spot mechanisms. Among all the local mechanisms pro-

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posed by Field et al. [4], an ignition by low velocity impact is probably caused by frictional heating of the preexisting or induced closed micro cracks [5]. When the levels and the durations of the pressure and plastic shear rate are sufficient, frictional heating is assumed to lead to an ignition. A few ignition criteria have been proposed, relying on the macroscopic pressure (denoted p for its positive part) and macroscopic plastic shear strain rate pl . Here, we adopted a criterion based on the work of Browning and Scammon [6] in the following equation
1 c*
t ig

tig t *

p( ) p *

2n 3

pl ( ) d = 1

(1)

where the time to ignition is tig , c* is the threshold value, t* is a characteristic time, p* is a characteristic pressure. The Browning and Scammon ignition criterion [7] is based on the dissipation generated by friction between grains. Knowing (i) the macroscopic pressure and the macroscopic plastic shear rate determined by a numerical tool simulating the impact and (ii) assuming a simple microstructural arrangement of the grains (for Browning and Scammon the HE microstructure is a 3D regular sphere packing of identical HMX grains) the surface area of the contact between two spheres, the contact pressure, and the relative velocity of the two spheres involved in the contact can be calculated. The last two quantities determine the dissipation at the local scale. Then, the dissipation enters into the heat equation as a source term. Local heating is computed adding the heat released by the HE decomposition. A numerical parametric study has been made by Browning and Scammon assuming diluted hot-spots. They have shown that a power law relates the dissipation, the surface contact between the particles (the hot-spot) and the time to ignition [7]. This parametric study determines the value of the exponent n (equal to 0.447). When (1) is met, ignition is assumed to occur.

2.2. Finite element code


The ignition criterion relies on the computation of the macroscopic pressure and the macroscopic plastic shear rate, inside the high explosive, seen as a continuum. Several material models and several types of simulation software have been used to compute the stresses and strains inside a target impacted at low velocity. For the first test reported in the literature (called Steven tests), Dyna2D was employed with a double Jones-Wilkins-Lee equation of state, in

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conjunction with a reaction model [8]. Dyna2D and Spronto were also used with a statistical crack mechanics model [9]. Then, 3D computations were performed using LS-Dyna and ALE3D whilst taking a perfect plasticity model for the material [10-11].

Fig. 1: Isotropic hardening curve in tension and compression (unconfined). Measurements were made up to a strain value of 20% (see Fig. 2). It means that the softening branch in compression (negative hardening) is assumed

The finite element code Abaqus/Explicit was chosen to run the computations. This choice was motivated by several reasons. Firstly, we had to deal with continuous solids exhibiting strong nonlinear behavior under finite strains. Hence, a Lagrangian finite element method was convenient for our purpose. Secondly, during such impacts, the strain rate could overcome 105 s-1 meaning that we are in the fast transient dynamic domain. The contact between the projectile and the target was strongly nonlinear and we focused our attention on an explicit time integration scheme. Thirdly, preliminary tests on low velocity impacts showed that Abaqus Explicit exhibited a better energy conservation, a stronger stability and broader functionalities than hydrocodes [12].

2.3. Constitutive behaviors


The internal microstructure of HE is close to the one observed for concrete materials (coarse grains embedded into a matrix formed by the fine crystals and the binder). All the mechanical tests made on this material have exhibited similar trends for the two class of materials. A nonlinear response is registered during uniaxial compressive tests and the maximum stress is six times the

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tensile failure stress. If a confining pressure is applied, the failure stress increases and the behavior turns to a ductile one.

Fig. 2: Measurements vs. model response for several triaxial tests. The order of magnitude of the pressure ranging from 100 to 300 MPa during impact, and the strain ranging from 50 to 100%; the conformity between the model and the data is acceptable

Table 1. Material parameters used for the HE composition (same notation as Abaqus/Explicit documentation)
parameters density Youngs modulus Poissons ratio Friction angle (=tg) Dilation angle Eccentricity e Initial yield stress at zero pressure Compressive stress softening slope Hardening in compression Hardening in tension value 1800 kg.m-3 4 GPa 0.4 20 1 0.1 5 MPa - 53 MPa see Fig. 1 see Fig. 1

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The model proposed by Lubliner et al. [13] and Lee and Fenves [14] is used here (native in Abaqus/Explicit). It involves a hypoelasticity law relating the effective stress tensor to the total and plastic strain rate tensors, a pressure dependent yield function (linear Drucker-Prager criterion mixed with the influence of the third invariant of the stress tensor) and non-associated time independent plasticity with isotropic hardening. Dilation, dissymmetry between the tensile and the compression states of stress altogether with isotropic damage, are taken into account. For the sake of simplicity, readers are invited to refer to the Abaqus documentation for a detailed description of the constitutive law (same notation used in this paper). Material parameters are given in Table 1 and Figure 1. A comparison between the model response and triaxial experiments is given in Figure 2. Some features of the material behavior have not been accounted for such as damage anisotropy due to the oriented microcracking, rate dependent plasticity, a cap yield surface describing compaction at high pressure and a transition between brittle and ductile behavior. Strain softening has been taken into account assuming a negative hardening evolution (not measured). Some other materials were used in the target/projectile configurations such as stainless steel, Plexiglas (PMMA), Teflon (PTFE) and transparent glass. Glass and Plexiglas are supposed to stay in the elastic regime during the impact. An elastic perfectly plastic constitutive law was applied for steel and isotropic hardening was added for PTFE. Parameters are given in Table 2.
Table 2. Parameters for the materials used during the impact experiments
parameters Density (kg.m-3) Youngs modulus (GPa) Poissons ratio Initial yield stress (MPa) Ultimate yield stress (MPa) steel 7850 210 0.3 400 400 Plexiglas 1190 3.3 0.34 glass 2510 81 0.28 Teflon 2200 0.46 0.46 9 20

2.4. Diffused ignition: numerical vs. experiments


In (1), the ignition threshold c* must be calibrated using an experimental database and numerical tests simulations. Four configurations were used to fit the threshold (Fig. 3). Table 3 gives the velocities enclosing the experimental velocity thresholds. Previous impact test configurations were dedicated to a velocity threshold determination. However, their design prevents us from determining the ignition location and the ignition time of reactive cases. That is the reason why a new

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configuration with a transparent visualization window was designed (Fig. 4 left), allowing fast video recording.
Table 3. The highest velocities leading to non reactive tests and the lowest one leading to reactive tests for the four configurations used to calibrate the ignition criterion
configurations target 1 projectile 1 target 2 projectile 1 target 2 projectile 2 target 3 projectile 1 highest non reactive velocities 77 m/s 62 m/s 76 m/s 61 m/s lowest reactive velocities 84 m/s 76 m/s 81 m/s 77 m/s

A round nosed projectile was launched at 103 m/s and impacted the structure. A punctual ignition is observed at 60 s after the impact (Fig. 5). This experimental flashing phenomenon is due to local ignition, which is roughly located at the target center and near the HE rear face. Numerical results have been obtained using 2D axisymetric simulations of the configurations using reduced integration linear finite elements. The characteristic size of the elements has been fixed to 250 m after a convergence study (the diameter of the target is typically equal to 200 mm depending on the configuration used). Frictionless contact was used except between HE and steel where a 0.2 constant friction coefficient was adopted. The same conditions were used irrespective of the result presented in this paper. Numerical results obtained for the configuration reported in Figure 5 show very good accordance with the experimental observation. The ignition is predicted 53 s after the impact located at the rear face of the HE and dotshaped. This comparison validates the capability of the numerical tool to predict diffuse ignition inside a target. We are going to see that localized shear banding and fracture could develop the predictions of which in these cases could be difficult.

3. NEEDS FOR NEW TECHNIQUES FOR LOCALIZED IGNITION


Experiments reported previously in this paper and used to determine the ignition threshold involve high confining pressure and high shear strain rate, but for diffused damage into the sample. Finite element codes are known to be able to accurately and efficiently handle such a situation. It is also admitted today that numerical difficulties appear with strain localization, shear banding and the

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development of macro cracks into the structure. Mesh dependencies have been reported and are still studied by researchers [15].

Fig. 3. Four axi-symmetrical impact test configurations (deformed geometries at 100 s) are used for determining an ignition threshold

Fig. 4: Two new axi-symmetrical impact test configurations (deformed geometries at 100 s) used to determine the ignition time and location

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Unfortunately, intense shear loading is known to ignite HE materials. We are going to report some data proving the relationship between localized mechanical fields and the ignition. Then, some of our numerical simulations will be discussed.

Fig. 5: Video recording of the ignition observed on HE rear face and finite element simulation of the test (53 s after the impact). Values of the threshold exceeding 1 (in white) delimit the ignited zone

3.1. Experimental evidence of localized ignition


Skidmore et al. [16] reported an observation made on a plane piece of HE (25x20x2 mm), laterally confined by metallic or glass pieces. On one of the faces of the sample, a plunger is used to impact the material (Fig. 6). Recovering the sample allows to made microstructural observations. If a flat-nosed projectile is used, a wedge structure develops ahead of the plunger (Fig. 6). Several shear bands developing into the sample have also been observed, sometimes with large relative displacements of the two lips of intra-granular microcracks or macrocracks but without any manifestation of the ignition. However, observa-

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tions have also proved that the decomposition mechanism was at work at the leading wedge of the cone.

Fig. 6: Schematic of the punch test reported by Skidmore et al. [16]. A trace of ignition can be observed at the microstructure level, located along the cone

These observations have been confirmed by Henson et al. [17] with light measurements using a camera (Fig. 7). If the leading wedge of the cone is identified as a zone where the decomposition starts, a vertical crack is also observed, possibly formed by gas spreading into the sample. The last experiment we would like to report here is the test made using the second configuration mentioned in Figure 4 [7]. In order to force shear band growth into the sample, a sharp-edge plunger was put at the surface of the HE piece, and impacted by a flat-nosed projectile. This configuration was numerically designed to maintain a high level of pressure in the zone where shear bands have been expected, that is, starting from the plunger edge and propagating to the rear face of the HE. The transparent back confinement was used to detect the light emission. Records show a ring-shaped ignition area indicating once again the localization of the ignition.

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Fig. 7: Self-illumination of the sample, 210 s after impact of a flat-nosed projectile. Position of the plunger at rest is indicated by the gray rectangle

3.2. Discussion on the needs


A question remains about the nature of the sheared structure. Do we need to model a macro crack to allow a large relative displacement and ignition by a surface friction mechanism? Could the material be ignited only inside a shear band where a relative displacement between crystals or contacting lips of micro crack is low? The previously reported experiments cannot be used to answer these questions. More data are needed e.g. via temperature measurements made during the interrupted impact tests (to avoid macro crack formation). Experiment detailed in Figure 8 has been compared to numerical simulations (Fig. 9). 55 s after the impact, a ring-shaped ignited zone is observed at the rear face of the HE sample. The diameter of this ring was identical to the diameter of the reacted ring viewed in the first picture of Figure 8. Unfortunately, the ignition is predicted earlier during the simulations, starting from the edge of the plunger and propagating to the rear face. There are two consequences of this: first, the ignition starts at the edge and propagates inside the

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shear band (light is then assumed not to cross the sample, which is a strong assumption). Second, shear-compression behavior is not well described and/or numerical difficulties take place.

Fig. 8. High speed recording of the second test case mentioned in Figure 4. A ring of light is observed on the rear face of the HE sample, 60 s after the impact

To determine the shear-compression response of the material, dedicated mechanical tests are currently studied. The existence of a post-pic behavior on the stress-strain curve is a question to be addressed. Moreover, our simulations do not involve any localization limiter. A regularization technique is probably needed with its consequences: the experimental determination of the material internal length and the attenuation of intense gradients which could lead to ignition. An example of mesh dependency is given in Figure 10. The target #3 (Fig. 3) is impacted at 61 m/s. Increasing the mesh density by a factor of 2 gives a completely different crack network and a different strain intensity along these cracks. These simulations have been made using the same adjustments of the code (distortion control, Lagrangian kinematic, material parameters). If the ignition were predicted along the axisymetric axis (and for approximately the same time step), its vertical position would change with the mesh refinement. We have observed that an increase of the distortion control setting allows a wider

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time interval without a simulation tilt. This option of Abaqus/explicit acts as a numerical limiter of localization.

Fig. 9. Numerical simulation of the second configuration of Figure 3, 55 s after the impact. The ignition is detected along a ring, at the rear face of the HE piece. Unfortunately, a shear band develops earlier from the plunger edge, indicating wrong time to ignition and location

On the other hand, some HE are known to be less sensitive than the material studied here. It is the case of TATB-based explosive compositions (for example PBX9502 made of 95%wt. triamino-trinitrobenzene). Then, the highest velocities must be taken into account. People performing perforation simulations of structures such as concrete walls usually involve an eroding technique to treat distorted elements. Here, mechanical fields are needed in those elements throughout the whole simulation so as to compute the ignition criterion. The erosion method will not be useful for this case and a specific method has to be developed. The remeshing techniques and extended finite element method (with a surface friction law) could be of great interest in our case to treat continuous

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to discontinuous evolution of the problem with a discrete number of cracks. Beyond this stage, a numerical method is needed.

Fig. 10. Equivalent plastic strain fields (axisymetrical section of the HE sample), 75 s after the impact (target 3, Fig. 3). Influence of the mesh density (doubled from one map to the other). Same scale for the strain except the extra upper bound of each map

4. CONCLUSION
In the propellant, explosive and pyrotechnic community, an improvement of safety of pyrotechnic devices is of unceasing interest. Even if numerous experiments have been performed to detect ignition and the violence of reactions when a HE is submitted to a low velocity impact, the occurrence of such a catastrophic event is not yet well understood today. A numerical tool has been proposed in this paper in order to predict the ignition of a HMX-based explosive composition. This tool is based on a finite element code, a concrete-like constitutive law, an ignition criterion and several impact experiments to determine the criterion level. An acceptable conformity is found between the numerical and experimental responses for diffuse ignition. A

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lot of work must be done in the future to improve the prediction. The main challenges are: (1) a better characterization of the behavior of the explosive composition when submitted, at the same time to high strain rate and high confining pressure, (2) a detailed comprehension of the microstructural mechanisms leading to local heating and ignition of a distribution of hot-spots, (3) the development of measurements allowing a real-time observation of heating and ignition at the microstructural scale. Some unacceptable differences have been observed when ignition is suspected in localized shear bands or macro cracks. Mesh dependencies (which could be associated to the softening behavior of the material) have been observed with a variation of the location of the ignition area as the major consequence. On the other hand, some numerical method settings as the kinematic assumption or how the code controls the distortion of the mesh have an influence on the results and prevent us from making an accurate prediction of the time to ignition and the location of the first ignition. Future works are then devoted to a better description of the continuous to discontinuous transition (using remeshing techniques and/or extended finite element method) and to replace the erosion method which implies the loss of the mechanical fields needed to detect the ignition.

ACKNOWLEDGEMENT
The authors wish to thank the personnel of Reactive Characterization Facility, especially F. Delmaire-Sizes, for providing experimental results.

REFERENCES
1. Govier, Gray, Blumenthal, Comparison of the influence of temperature on the high-strain-rate mechanical responses of PBX 9501 and EDC37, Metallurgical and Materials transactions A, 39 (2008) 535-538. 2. Chidester, Green, Lee, A frictional work predictive method for the initiation of solid high explosives from low-pressure impacts, in: Proc. 10th International Detonation Symposium, Boston, 1993. 3. Delmaire-Sizes, Belmas, Picart, Trumel, Low-velocity impact tests on an HMX-based explosive, in: Proc. 34th International Pyrotechnics Seminar, Beaune, 2007. 4. Field, Bourne, Plamer, Walley, Hot-spot ignition mechanisms for explosives and propellants, Philosophical Transaction of the Royal Society of London A 339 (1992) 269-283.

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5. Dienes, Frictional hot-spots and propellant sensitivity, in: Proc. Material Research Society Symposium 24 (1984) 373-381. 6. Browning, Scammon, Microstructural model of ignition for time varying loading conditions, in: Proc. Shock Waves in Condensed Matter, Saint Petersburg, 2001. 7. Gruau, Picart, Belmas, Bouton, Delmaire-Sizes, Sabatier, Trumel, Ignition prediction of a confined high explosive under low velocity impact, submitted to Int. J. Impact Eng. 8. Scammon, Browning, Middletich, Dienes, Haberman, Bennett, Low amplitude insult project: structural analysis and prediction of low order reaction, in: Proc. 11th International Detonation Symposium, Snowmass, 1998. 9. Chidester, Tarver, Garza, Low amplitude impact testing and analysis of pristine and aged solid high explosives, in: Proc. 11th International Detonation Symposium, Snowmass, 1998. 10. Vandersall, Chidester, Forbes, Garcia, Greenwood, Switzer, Tarver, Experimental and modeling studies of crush, puncture, and perforation scenarios in the Steven impact test, in: Proc. 12th International Detonation Symposium, San Diego, 2002. 11. Vandersall, Murty, Chidester, Forbes, Garcia, Greenwood, Tarver, Investigation of Steven impact test using a transportation hook projectile with gauged experiments and 3D modeling, in: Proc. Compression Waves in Condensed Matter, Portland, 2003. 12. Gruau, Picart, Bianchi, Perlat, Verbeek, Sholtes, Simulation of PBX when submitted to low velocity mechanical impacts, in: Proc. 17th Dymat Technical Meeting, Cambridge, 2007. 13. Lubliner, Oliver, Oller, Oate, A plastic-damage model for concrete, International Journal of Solids and Structures 25, 3 (1989) 299-326. 14. Lee, Fenves, Plastic-damage model for cyclic loading of concrete structures, Journal of Engineering Structures 124, 8 (1998) 892-900. 15. De Borst, Damage, material instabilities, and failure, Encyclopedia of Computational Mechanics, editors Stein, De Borst, Hugues, Wiley, 2004. 16. Skidmore, Phillips, Asay, Idar, Howe, Bolme, Microstructural effects in PBX 9501 damaged by shear impact, in: Proc. Shock Compression Condensed Matter, editors Furnish-Chhabildas-Hixson, Snowbird Ut, USA, 1999, 659-662. 17. Henson, Asay, Dickson, Fugard, Funk, Measurement of explosion time as a function of temperature for PBX 9501, in: Proc. 11th Int. Symp. Detonation, Snowmass CO, USA, 1998, pp.325-331.

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