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Misorientation

physical science Maturity 11-13 Next article →

In materials science, misorientation is a critical concept used to understand polycrystalline materials. These materials are made of many tiny parts called crystallites. Each crystallite has an internal structure known as a crystalline lattice. Within this lattice, atoms are arranged in a specific, repeating pattern. However, these individual crystallites do not all face the same way. Misorientation is the measurement of the difference in orientation between two of these crystallites. It represents the distance in orientation space between two distinct directions. Understanding these differences helps scientists predict how a material will behave under pressure or heat.

To calculate misorientation, scientists use a mathematical process called a transformation. First, they establish a sample reference frame. This frame is often defined by the direction of how the material was made, such as through rolling or extrusion. They then define a local reference frame for the crystalline lattice based on the unit cell. To find the misorientation between two crystals, one must find the transformation that moves from the first crystal frame to the second. This can be viewed as a two-step operation. First, the first crystal frame is transformed back to the sample reference frame. Then, the sample frame is transformed into the second crystal frame.

MDF rodrigues AA5083
MDF rodrigues AA5083

There are several mathematical methods used to represent this transformation. Scientists might use Euler angles or Rodrigues vectors to describe the change. They may also use an axis/angle method, where the axis is a specific crystallographic direction. Another method involves unit quaternions. While quaternions are very convenient for computer calculations, they are difficult to graph. This is because they are four-dimensional in nature. Most researchers prefer to create plots using sections of the fundamental zone. They might use sections along the phi-2 angle in Euler angles or at constant rho-3 values for Rodrigues vectors.

Crystal symmetry plays a major role in how misorientation is calculated. Symmetry means that a crystal looks the same even after certain rotations. For example, cubic crystals, such as those with a face-centered cubic (FCC) structure, have 24 symmetrically related orientations. These orientations are mathematically different but physically indistinguishable. Because of this, the total orientation space is reduced by a factor of 24. This specific area is called the fundamental zone (FZ). In cubic crystals, there is also a switching symmetry. This symmetry recognizes that the misorientation from crystal A to B is the same as from B to A. This reduces the cubic-cubic fundamental zone to only 1/48 of the total volume. This also limits the maximum unique misorientation angle to 62.8 degrees.

Scientists often study the misorientation distribution, or MD, to understand a material's texture. The MD describes the probability of finding a specific misorientation between any two grains. It shows how many pairs of grains fall into a specific range of angles. This is similar to an orientation distribution function (ODF) used in texture characterization. The intensity of an MD is measured in multiples of random density (MRD). This compares the observed distribution to a material where all orientations are spread out uniformly. Researchers can calculate the MD using a discrete binning scheme or a series expansion involving generalized spherical harmonics.

One significant way to view these distributions is through a Mackenzie plot. J.K. Mackenzie published work on this in 1958. A Mackenzie plot is a one-dimensional representation of the misorientation distribution. It plots the relative frequency of the misorientation angle. It does this while ignoring the specific axis of the rotation. Mackenzie used this method to determine the distribution for a cubic sample with a random texture.

Mackenzie plot
Mackenzie plot

To see how this works in practice, consider an example involving two specific orientations. If we have a Copper orientation defined by Euler angles [90, 35, 45] and an S3 orientation at [59, 37, 63], we can calculate the difference. First, the Euler angles are converted into orientation matrices. By using the misorientation operator, we find the relationship between them. In this specific case, the misorientation is 19.5 degrees about the axis [0.689, 0.623, 0.369]. This axis is very close to the <221> direction. While this is just one of 1,152 possible symmetrically related results, it provides a precise description of the misorientation between those two components.

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File:MDF rodrigues AA5083.jpg
MDF rodrigues AA5083.jpg
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Mackenzie plot.jpg
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