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This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48. NUMERICAL MODELLING OF EXPLOSIONS IN UNDERGROUND CHAMBERS USING INTERFACE TRACKING AND MATERIAL MIXING Benjamin T. Liu and Ilya Lomov Energy and Environment Directorate Lawrence Livermore National Laboratory Numerical Methods for Multi-Material Fluid Flows September 5th-8th, 2005 St. Catherines College, Oxford, UK

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2 UCRL-PRES Introduction: Sharp and Diffusive Interfaces Diffusive Interface Sharp Interfaces Gas-phase mixingDroplets or bubbles

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3 UCRL-PRES Outline Treatment of sharp interfaces Treatment of diffusive interfaces Simulations combining sharp and diffusive interfaces

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4 UCRL-PRES GEODYN High-order Godunov Eulerian code –Able to model large deformations –Able to capture shocks –Treatment of interfaces is important Structured rectangular grids with adaptive mesh refinement Multi-material with a fully integrated stress tensor –Characteristic tracing of stress tensor –Acoustic approximation for shear waves Flexible material library Analytic and tabular EOS Wide range of constitutive models –Especially designed to model the response of geophysical media –Includes a variety of yield strength models

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5 UCRL-PRES Outline: Treatment of Sharp Interfaces Treatment of sharp interfaces –Standard treatment –Hybrid energy update –Stress equilibration Treatment of diffusive interfaces Simulations combining sharp and diffusive interfaces

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6 UCRL-PRES Standard Treatment of Sharp Interfaces Volume-of-fluid approach High order interface reconstruction –used to calculate transport volumes –preserves linear interface during translation Thermodynamics based equations for the mixed cell update

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7 UCRL-PRES Standard Pressure Relaxation Scheme Iterative adjustment of volume fractions - bulk modulus - numerically or physically based limiter

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8 UCRL-PRES Problems with the Standard Treatment Conservative energy update is not robust for mixed materials –Materials with drastically different properties (, K, etc) –Most severe when kinetic energy is large relative to internal energy Pressure relaxation unsuitable when strength in mixed cells is important –Relaxation scheme ignores strength –Effective strength for material in mixed cells with fluid is zero

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9 UCRL-PRES Hybrid Energy Update Conservative equation Non-conservative equation Hybrid (conserves energy)

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10 UCRL-PRES Hybrid Energy Update Test: Aluminum Flyer Plate (3 km/s) in Air Position of flyer plate GPa mm Conservative Non-conservative Hybrid

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11 UCRL-PRES Pressure Equilibration in Mixed Cells with Strength Pressure relaxation ignores strength Problem in mixed cells with solid and fluid –Solid w/strength and fluid w/o strength –Pressures in solid and fluid are equal Mixed cells containing fluid have no strength –Material is weaker near interfaces –Introduces strong mesh dependence Results in cells containing differing solids w/strength are also wrong P fluid no strength solid w/ strength no strength no strength no strength no strength

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12 UCRL-PRES Normal Stress Equilibration in Mixed Cells with Strength Equilibrate normal stress instead of pressure Information within mixed cell insufficient –Need to calculate T nn –Requires elastic hoop strain (e tt ) Solution: Use properties from single-material cells in the vicinity of the mixed cell Consistency conditions: –Stress normal to interface is continuous –Elastic strains in transverse direction taken from single-material cells –Interfacial shear stress can be calculated using a friction law Fall back to pressure relaxation scheme when: –No single-material cells in the direction of normal –More then 2 materials in the cells T nn e tt 1 e tt 2

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13 UCRL-PRES Stress Relaxation Elastic hoop strain in the single material cell: Normal component of the stress deviator in the mixed cell: Relax total normal stress in each material to the average across the cell: Constraint modulus

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14 UCRL-PRES Stress Relaxation Test: Aluminum Flyer Plate (3 km/s) in Air Pressure Relaxation Stress Relaxation Pressure Normal Stress (-T nn ) Pressure Normal Stress (-T nn ) for the aluminum plate For elastic 1D strain:

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15 UCRL-PRES Test Problem - Cylindrical Cavity Expansion Radial Stress + 1 bar 0 -1 bar Aluminum Air 1 bar Pressure Relaxation Results Vacuum

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16 UCRL-PRES Pressure Relaxation Radial Stress Hoop Stress Stress Relaxation + 1 bar 0 -1 bar

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17 UCRL-PRES Problems Requiring Stress Equilibration Quasi-static solution after initial waves have passed –Cavity expansion –Blast or impact loading of deeply buried structures Overall response driven by deformation in the mixed zones –Fast moving solids undergoing slow deformation Void nucleation and growth under positive pressure –Pressure relaxation will cause voids to immediately close –Strength in the material surrounding voids is important

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18 UCRL-PRES Outline: Treatment of Diffusive Interfaces Treatment of sharp interfaces –Standard treatment –Hybrid energy update –Stress equilibration Treatment of diffusive interfaces –Track mass fractions of components –Use effective mixture gamma –Iterate for real materials Simulations combining sharp and diffusive interfaces

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19 UCRL-PRES Consider materials that diffuse into one another –Separate components within a single computational material –Mass fractions (with total, ) sufficient to reconstruct mixture state variables Should enforce pressure and temperature equilibrium between components Diffusive Material Interface Treatment

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20 UCRL-PRES Ideal Gas Mixture Internal energy Effective molecular weight Effective gamma Ideal Gas Mixing

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21 UCRL-PRES Ideal Gas Pressure Pressure for ideal gas mixture independent of spatial component distribution i : fraction of mixture volume occupied by component i Molecular mixtureDroplets or bubbles Ideal Gas Pressure Calculation For an ideal gas: Enforcing pressure equilibrium: Applying Daltons Law:

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22 UCRL-PRES Define an effective (component) gamma: –a constant for ideal gases –a relatively slowly varying parameter for a wide range of densities and temperatures for many real materials Calculate pressure based on mixture gamma: Similarly calculate temperature: Zeroth order approximation: i = i m i –Yields correct averages for ideal gases Non-Ideal Equations of State

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23 UCRL-PRES Initial guess: i = i m i Iterate on component densities and energies –Iterative estimate for energy –Pressure relaxation scheme for density Two-phase region may be singular and non-convergent –Solution has oscillations Saurel & Abgrall (1999), Karni (1994), et al Zeroth order approximation good when gamma is changing slowly Non-Ideal Equations of State Iterative Refinement for Non-Ideal Gases

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24 UCRL-PRES Outline: Simulations Treatment of sharp interfaces –Standard treatment –Hybrid energy update –Stress equilibration Treatment of diffusive interfaces –Track mass fractions of components –Use effective mixture gamma –Iterate for real materials Simulations combining sharp and diffusive interfaces –Mixing and heating in underground chambers –2D simulation –Large-scale 3D simulation

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25 UCRL-PRES Explosions in Underground Chambers Fundamental study of multi-material mixing and heating –Demonstrate combination of diffuse and sharp interfaces –No explicit subgrid model Turbulence implicitly modeled by truncation errors Monotone Integrated Large Eddy Simulation (MILES) [J. Boris, 1992] Physical rationale by L. Margolin and W. Rider in 2002 Examine heating of water contained in underground chambers –Consider different modes of heating after an explosion Shock heating (PdV work) Convective mixing –Measure degree of heating by fraction of water above 650K Critical point for water Vapor and liquid indistinguishable

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26 UCRL-PRES D Problem Setup 1.5mm steel liner 167 GJ source 4 tons water

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27 UCRL-PRES Density/Temperature Profiles

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28 UCRL-PRES Temperature Distribution T < 650 K 650 K T < 2600 K T 2600 K Shock heating Expansion and cooling Convective mixing dominates heat transfer

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29 UCRL-PRES D Calculation 60 m x 10 m x 10 m chamber 0.5 m DOB Run on LLNLs Thunder supercomputer –Utilized 960 nodes (3840 Itanium CPUs) –Used almost 1 TB of total memory Largest problem of its kind to date –Two levels of refinement –16.8 million zones (6 cm resolution) on the coarse level –~160 million zones (1.5 cm resolution) on the fine level

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30 UCRL-PRES TJ 200 tons water 60 m x 10 m x 10 m chamber 0.5 m roof

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31 UCRL-PRES Conclusions Improved treatment of sharp interfaces –Hybrid energy update robustly captures shocks while conserving energy –Stress equilibration improves modelling of material with strength Implemented simple treatment of diffusive interfaces –Store mass fractions and calculate an effective gamma –Zeroth order approximation sufficient for many applications Successfully simulated problems including sharp and diffusive interfaces –Performed both 2D and 3D simulations –Examined mixing and heating of explosions in bunkers

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