DEFECTS IN METALS AND SIMULATION OF MECHANICAL ...

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LIST <strong>OF</strong> FIGURES Fig. 2-1: Penetration of indeter at a depth of 0.7 nm. The figure shows only atomic positions that do not meet the coordination number of 8: the indenter is applied to the top of the cell in this figure …………………………………………………………………………………….....7 Page Fig. 2-2: Showing vacancies created inside simulation box; indenter force is applied on the top of the simulation cell (atoms with a coordination number less than 8 are shown in colors)…....…8 Fig. 2-3: Force displacement curves for indenter velocities of 20 and 100m/s with no vacancies………………………………………………………………………………………....9 Fig. 2-4: Load-depth curves for three vacancies fractions showing decreased yield load with increasing vacancy concentration…………………………………………………...………...…10 Fig.2-5: Indentation with 0% Vacancies at a) a depth of 9Ǻ showing atoms with decreased number of nearest neighbors b) View at the yield load with depth13 Ǻ. The large cluster of atoms with co-ordintation numbers less than 8 is representative of dislocation formation……..11 Fig.2-6: Indentation into solid with 0.05% Vacancies a) View at a depth of 9Ǻ showing atoms with decreased number of nearest neighbors b) View at the yield load with depth 13Ǻ…….…12 Fig.2-7: Yield loads for different vacancies concentrations and for two different indentation velocities 100m/s and 20m/s……………………………………………………………….….…13 Fig. 2-8: Load displacement curves from multiple runs for the same vacancy concentration of 0.1% with different vacancies distributions, showing variability from random positioning of the defects………………………………...……..……………………………………………..…….14 Fig. 2-9: Hertzain Fit and load displacement curves from simulations for different values of the force constant K (indenter stiffness)……………………………………………………………..18 Fig.3-1: Simulation Box for Zirconium HCP……………………………………………….…...22 viii
Fig. 3-2: Defects formation at the beginning of the simulation. Atoms with a non-perfect coordination number are shown as colored atoms, all other atoms removed………………………23 Fig.3-3: Vacancies and interstitials after annealing (~5ps). Atoms with a non-perfect coordination number are shown as colored atoms, all other atoms removed……….……….……..24 Fig. 3-4a: Defects after the initiation of the PKA (ta
Page 1 and 2: DEFECTS IN METALS AND SIMULATION OF
Page 3 and 4: ACKNOWLEDGMENTS The time and commit
Page 5 and 6: dislocations on yield load were als
Page 7: LIST OF TABLES Page Table.2-1: Forc
Page 11 and 12: Chapter 1 Motivation The motivation
Page 13 and 14: experiments, the advantage is that
Page 15 and 16: Chapter 2 Vacancies effect on metal
Page 17 and 18: showing no dislocation nucleation b
Page 19 and 20: Fig. 2-3: Force displacement curves
Page 21 and 22: Fig.2-5: Indentation with 0% Vacanc
Page 23 and 24: In Fig. 2-6 a) and b) we can see th
Page 25 and 26: Vacancy concentrations were varied
Page 27 and 28: The load at yielding is also sensit
Page 29 and 30: Fig. 2-9 shows that with a higher s
Page 31 and 32: Atomistic computer simulation techn
Page 33 and 34: Figure 3-1 shows the simulation box
Page 35 and 36: Fig. 3-4a: Defects after the initia
Page 37 and 38: In Fig. 3-5 we can see the evolutio
Page 39 and 40: Fig. 3-6: Fraction Nv/n of survivin
Page 41 and 42: Chapter 4 Dislocations effect on Me
Page 43 and 44: The dislocation was created by remo
Page 45 and 46: Fig. 4-3: Edge dislocation in the (
Page 47 and 48: For iron the shear modulus, µ, is
Page 49 and 50: Fig.4-6: Simulatin showing dislocat
Page 51 and 52: Chapter 5 Conclusion Defects in met
Page 53 and 54: [ 14 ] D.F. Bahr, D.E. Kramer, and
Page 55: [ 47 ] H. G. M. Kreuzer and R. Pipp

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