1. Network for Computational Nanotechnology (NCN) SURF 2014 Microstructure Evolution During Powder Compaction Granular System Compaction 1.0 Presenter : Chen Shang Professor : Marcial Gonzalez Mentor : Yuesong Xie

2. Network for Computational Nanotechnology (NCN) Table of Content 1. Introduction 3. Tool flow 2. Governing theory 5. Results 7. References 4. Glance at the tool 6. Acknowledgement

3. Network for Computational Nanotechnology (NCN) Motivation - Granular systems are the second largest manipulated material in the industry - Granular structure materials have better overall properties comparing to bulk materials in certain applications Focus - Consolidation and compaction of powders - Granular systems at high level of confinement Introduction From: M. Gonzalez (2012) From: X. Liu (2013)

4. Network for Computational Nanotechnology (NCN) Governing Theory Theory - Hertz Theory - Nonlocal Contact Formulation ∙ Independent contacts - Main Assumptions ∙ Elastic deformation ∙ Smooth ∙ No friction ∙ No cohesion ∙ Interacting deformations From: M, Gonzalez (2012)

5. Network for Computational Nanotechnology (NCN) Glance at the Tool Allowed Inputs Schematic picture showing the initial powder beds, with brief parameters. Choose which initial powder bed to use, which will determine the number of particles, die diameter and height. Volume fraction of material A, ranging from 0 to 1 Property data of the two materials, allowing only modulus and Poisson’s ratio for now. Yes: nonlocal contact formulation will be used No: Hertz theory will be used

6. Network for Computational Nanotechnology (NCN) Results Compaction Plot (Pressure vs. Relative Density) Sample compaction plot: 717 particles, NLC Sample compaction plot: 717 particles, Hertz

7. Network for Computational Nanotechnology (NCN) Results Mean Coordination Number Sample mean coordination number plot: 717 particles, NLC Sample mean coordination number plot: 717 particles, Hertz

8. Network for Computational Nanotechnology (NCN) Results Contact Force Distribution (sequence display) Sample contact force distribution sequence: 717 particles, Hertz RD = 0.69902 RD = 0.89984 RD = 1.0116 RD = 0.80232 From: M, Gonzalez (2014)

9. Network for Computational Nanotechnology (NCN) 3D Powder Bed Evolution (sequence display) Sample powder bed evolution sequence: 717 particles, 0.75 A, Hertz RD = 0.50739 RD = 0.89984 RD = 1.0116 RD = 0.69902 Results

10. Network for Computational Nanotechnology (NCN) Tool Flow tool.xml Rappture GUI main_input.m save *.dat files gscompaction.py submit *.dat files solver returns *.txt files main_output.m retrieve return GUI outputs deploy

11. Network for Computational Nanotechnology (NCN) Acknowledgement HUBzero Team

12. Network for Computational Nanotechnology (NCN) 1.Gonzalez, M., Cuitino, A.M. (2014). Microstructure evolution of compressible granular systems under large deformations. 2. Gonzalez, M, Cuitino, A.M. (2012). A nonlocal contact formulation for confined granular systems. Journal of the Mechanics and Physics of Solids 2012; 60, 333-350 3. Johnson, K.L.(1987). Contact Mechanics. ISBN-13: 978-0521347969 4. Lisovsky, A.F.(2009). Thermodynamics of Nanoparticle Consolidation. Science of Sintering, 41, 3-10. doi: 10.2298/SOS0901003L 5. Liu, X., Hu, L., Wang, E. (2013). Cold compaction behavior of nano-structured Nd-Fe-B alloy powders prepared by different processes. Journal of Alloys and Compounds, 551, 682-687 6. Poudel, B., Hao, Q., Ma, Y. ( 2008). High-Thermoelectric Performance of Hanostructured Bismuth Antimony Telluride Bulk Alloys. Science, 320, 634-638 7. Reddy, K.S.(2008). Nano Powders. San Jose State University. 8. Saha, B.P., Kumar, V. (2012). Investigation of compation behavior of alumina nano-powder. doi:10.1016/j.powtec.2012.02.033 9. Tong, L., Reddy, R.G.(2005). Systhesis of titanium carbide nano-powders by thermal plasma. Scripta Materialia, 52, 1253-1258 10. Zhao, Z., Li, X.J. (2008). Explosive Compaction of Nano-Alumina Particle-Reinforced Copper Alloy. Combustion, Explosion, and Shock Waves, 44, 119-121 References

13. Network for Computational Nanotechnology (NCN) Thank You!