1. UNCLASSIFED CartaBlanca Update Xia Ma, Brian VanderHeyden, Paul Giguere, Qisu Zou, Duan Zhang Fluid Dynamics Group Theoretical Division Los Alamos National Laboratory March 21, 2006

2. UNCLASSIFED Los Alamos National Laboratory Wins Four 2005 R&D 100 Awards CartaBlanca: A High-Efficiency, Object-Oriented, General-Purpose Computer Simulation Environment MESA: Measuring Enzyme-Substrate Affinities nanoFOAM: A Metal-Nanofoam Fabrication Technique NESSUS: Probabilistic Analysis Software Submitted by Southwest Research Institute and Los Alamos National Laboratory

3. UNCLASSIFED Capabilities of CartaBlanca A high-efficiency, general- purpose multiphase multi- physics computer simulation package. Written in developer-friendly Java Language in object- oriented fashion. Based on advanced multiphase flow theory. Multiphase flows. Chemical reactions. Multi-material deformation with mechanical strength. Fluid-structure interactions. Built-in thread parallelization in shared memory machines. Easy parallelization in distributed memory machines. Portability (The same code runs on Windows, Mac and UNIX machines).

4. UNCLASSIFED Improvements/Other Activities Current Project Work –High explosives safety –Constitutive relation for high explosives. –Nuclear reactor safety –Turbulent two-phase flows –Removable barrier –Projectile Target interactions Received R&D 100 award 2005. 1.Improved Parallel calculations, especially for particle methods. 2.Enhanced quality control  Long tests 3.Improved Graphic User Input (GUI) package 4.Draft Theory, programmer and user manuals 5.Implemented robust advection schemes 6.Added temperature effects in Johnson-Cook model 7.Implemented multi-material in phase capability.

5. UNCLASSIFED Two-phase flow in a nuclear reactor during an accident

6. UNCLASSIFED High Explosives Safety Drop-skid experiment Ignition model for heated grit Effect of skid plate heat conduction One-step reactive kinetics –Effects of gas convection –Brittle damage upup uptupt HE Grit HE melt High temperature region

7. UNCLASSIFED Shock wave propagation in HE

8. UNCLASSIFED Parallel Operations Obtained good scaling on shared memory. Enhanced particle implementation. Working on scaling on shared memory (JavaParty, MPI). Shock propagation on HE, using particle-in-cell method On shared memory JavaParty behavior on shared and distributed memory

9. UNCLASSIFED Material Modeling Hierarchy Johnson- Cook

10. UNCLASSIFED Typical two-phase flow codes are implemented with single pressure models for multi- phase or multi-material flows. –Suitable for disperse two- phase flows. Multi-pressure model is implemented in CartaBlanca, and has Significant advantages for –Fluid-structure interaction. –Projectile-target interactions Multi-pressure model for multi-material problems The pressure difference tears clothes

11. UNCLASSIFED Spalling of brittle porous solid h h h Time to damage Elastic Theory: 1.18  s. Our simulation: 1.12  s. Error: 5%. Stress Elastic Theory: 0.69 GPa Our simulation: 0.76 GPa Error 11%.

12. UNCLASSIFED Johnson-Cook model for projectile target interactions Elastic Prediction Update yield surface If effective stress exceeds yield surface return the stress to the yield surface. Calculated plastic work Increase temperature.

13. UNCLASSIFED

14. Johnson-Cook model for projectile target interactions

15. UNCLASSIFED Parameters in Johnson-Cook model We assume adiabatic heating for the rapid rate of strain. Each calculation takes < 1.5 hours on this laptop.

16. UNCLASSIFED Graphic User Interface (GUI)

17. UNCLASSIFED Graphic User Interface (GUI)

18. UNCLASSIFED User Manual

19. UNCLASSIFED Theory Manual

20. UNCLASSIFED Programmer Manual For programmers to add new capabilities. To be done.

21. UNCLASSIFED Next Steps

22. UNCLASSIFED Next Steps

23. UNCLASSIFED Next Steps Complete and Find suitable EPIC calculation for comparison. Perform calc./comp. Incorporate proprietary concrete model. Assist with concrete model/brittle damage calculations. Complete manuals of the code. Tutorial/workshop of CartaBlanca.