Stress, strain and more on peak broadening

1. Stress, strain and more on peak broadening Learning Outcomes By the end of this section you should: • be familiar with some mechanical properties of solids • understand how external forces affect crystals at the Angstrom scale • be able to calculate particle size using both the Scherrer equation and stress analysis

2. Material Properties What happens to solids under different forces? The lattice is relatively rigid, but…. Note: materials properties will be considered mathematically in PX3508 – Energy and Matter

3. Mechanical properties of materials Tensile strength– tensile forces acting on a cylindrical specimen act divergently along a single line. Compressive strength– compressive forces on a cube act convergently in a single line

4. Mechanical properties of materials Shear strength– shear is created by off-axis convergent forces. Slipping of crystal planes

5. force N Stress () = Cross-sectional area m2 Stress Stress = force/area In simplest form: Normal (or tensile) stress = perpendicular to material Shear stress = parallel to material

6. Stress Thus can resolve into tensile and shear components: Tensile stress,  Shear stress, 

7. L deformed length – original length = Strain () = original length Lo Strain Strain – result of stress Deformation divided by original dimension

8. Onset of failure Structural failure point Yield point Stress () Ultimate stress Linear slope Plastic region Elastic region Strain () The Stress-Strain curve

9. Linear slope Stress () Elastic region Strain () Elastic region In the elastic region, ideally, if the stress is returned to zero then the strain returns to zero with no damage to the atomic/molecular structure, i.e. the deformation is completely reversed

10. Yield point Stress () Plastic region Elastic region Strain () Plastic region In the plastic region, under plastic deformation, the material is permanently deformed/damaged as a result of the loading. In the plastic region, when the applied stress is removed, the material will not return to original shape. The transition from the elastic region to the plastic region is called the yield point or elastic limit

11. Onset of failure Structural failure point Ultimate stress Stress () Plastic region Strain () Failure At the onset of yield, the specimen experiences the onset of failure (plastic deformation), and at the termination of the range of plastic deformation, the sample experiences a structural level failure – failure point

12. Example www.iop.org

13. Tensile strength Maximum possible engineering stress in tension. • Metals: occurs when noticeable necking starts. • Ceramics: occurs when crack propagation starts.

14. Modulus The slope of the linear portion of the curve describes the modulus of the specimen. Young’s modulus (E) – slope of stress-strain curve with sample in tension (aka Elastic modulus) Shear modulus (G) - slope of stress-strain curve with sample in torsion or linear shear Bulk modulus (H) – slope of stress-strain curve with sample in compression Hooke’s law:  = E 

15. Modulus - properties Higher values of modulus (steeper gradients of slope in stress-strain curve) relates to a more stiff/brittle material – more difficult to deform the material Lower values of modulus (shallow gradients of slope in stress-strain curve) relates to a more ductile material. • e.g. (GPa) • Teflon 0.5 Bone 10-20 • Concrete 30 • Copper 120 • Diamond 1100 Spider silk

16. Now back to diffraction… X-ray diffraction patterns can give us some information on strain Remember.. Scherrer formula where k=0.9

17. (micro) Strain : uniform • Uniform strain causes the lattice to expand/contract isotropically • Thus unit cell parameters expand/contract • Peak positions shift

18. (micro) Strain : non-uniform • Leads to systematic shift of atoms • Results in peak-broadening • Can arise from • point defects (later) • poor crystallinity • plastic deformation

19. Williamson-Hall plots Take the Scherrer equation and the strain effect So if we plot Bcos against 4sin  we (should) get a straight line with gradient  and intercept 0.9/t

20. Example 0.138 = 0.9/t gradient 

21. Crystallite size Halfwidth: as before Can give misleading results

22. Crystallite size Integral breadth

23. Summary • External forces affect the underlying crystal structure • Strained materials show broadened diffraction peaks • Width of peaks can be resolved into components due to particle size and strain