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Computational Thermodynamics and Kinetics

Computational Thermodynamics and Kinetics. Team 1 Group A Brittany Brandon Katharine Hickey Kim Larrabee Francisco Martinez Randi Patterson. Introduction. What is Computational Thermodynamics and Kinetics?

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Computational Thermodynamics and Kinetics

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  1. Computational Thermodynamics and Kinetics Team 1 Group A Brittany Brandon Katharine Hickey Kim Larrabee Francisco Martinez Randi Patterson

  2. Introduction • What is Computational Thermodynamics and Kinetics? • Computational Thermodynamics is the discipline by which phase diagrams are generated through analysis of the basic thermodynamic properties of metals. • Kinetics is the branch of science that is concerned with the rates of change in processes. • What is diffusion? • The movement of particles from a region of higher concentration to a region of lower concentration. • Hypothesis • The experimental results will prove the existence of three new phases consisting of magnesium, calcium, and zinc.

  3. Purpose • To create a magnesium alloy with higher creep resistance with numerous applications such as cars, airplanes, and laptops.

  4. Background Information Body Centered Cubic Face Centered Cubic MgZn2 Hexagonal Laves Structure (C14)

  5. Phase Diagram Explanation CaMg2Zn Ca2Mg6Zn3 Ca2Mg5Zn13 Ca2Mg5Zn5

  6. Sanding 240 grit sandpaper 400 grit sandpaper 600 grit sandpaper 800 grit sandpaper 1200 grit sandpaper Polishing Polishing cloths 1.0 µ silicon in methanol 0.3 µ silicon in methanol Polishing machine Clamp the samples Stainless steel cylinder Stainless steel screws Stainless steel slugs Vacuum seal samples Glass cylinder Glass blowing machine Fiberglass Vacuum pump Procedure

  7. Procedure • Place in furnace Furnace Thermo-calc (software program) • Remove Samples Quench samples • Mount samples Epoxy Resin Hardener • Cut samples in cross-sections Diamond tipped saw • Repeat steps 1 and 2 • Examine using optical microscopy Optical microscope

  8. Results • 320°C, 9 days, • Diffusion occurred • 325°C , 9days • Diffusion occurred • Diffusion distance is approximately the same • 343°C sample was inconclusive ________________________ Factors Influencing Diffusion: • Oxidation • Polishing Quality • Amount of Pressure • Time Constraints

  9. Conclusion • Evidence shows that diffusion did occur. • Hypothesis could not be proven or disproved due to time constraints. • Future research will be needed.

  10. Further Research • View samples under an SEM to show the number of phases that exist. • To determine certain characteristics of the phases, a wide variety of microscopes will be used .

  11. Any Questions?

  12. Acknowledgements Dr. Zi-Kui Liu (Dr.) Yu Zhong Cyndi Freeman Fail Jody Markley Jerome Crawford Kevin Harman Upward Bound Math and Science Staff

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