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The net force on each ion is generally calculated explicitly at each numerical step. From this, the stress tensor of the system can be calculated and usually is calculated by the numerical package. By varying the convergence criteria, one can either seek a lowest energy structure or a structure that produces a desired stress tensor.
Crystallography is the branch of science devoted to the study of molecular and crystalline structure and properties. [1] The word crystallography is derived from the Ancient Greek word κρύσταλλος (krústallos; "clear ice, rock-crystal"), and γράφειν (gráphein; "to write"). [2]
Crystal chemistry is the study of the principles of chemistry behind crystals and their use in describing structure-property relations in solids, as well as the ...
Vectors and planes in a crystal lattice are described by the three-value Miller index notation. This syntax uses the indices h, k, and ℓ as directional parameters. [4] By definition, the syntax (hkℓ) denotes a plane that intercepts the three points a 1 /h, a 2 /k, and a 3 /ℓ, or some multiple thereof. That is, the Miller indices are ...
If the crystallographic orientations are not random, but have some preferred orientation, then the sample may have a weak, moderate or strong texture. The degree is dependent on the percentage of crystals having the preferred orientation. Texture is seen in almost all engineered materials, and can have a great influence on materials properties.
Liquid crystal (LC) is a state of matter whose properties are between those of conventional liquids and those of solid crystals.For example, a liquid crystal can flow like a liquid, but its molecules may be oriented in a common direction as in a solid.
In physics, tensor is an orientational order parameter that describes uniaxial and biaxial nematic liquid crystals and vanishes in the isotropic liquid phase. [1] The Q {\displaystyle \mathbf {Q} } tensor is a second-order, traceless, symmetric tensor and is defined by [ 2 ] [ 3 ] [ 4 ]
Crystal systems that have space groups assigned to a common lattice system are combined into a crystal family. The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic. Informally, two crystals are in the same crystal system if they have similar symmetries (though there are many exceptions).