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  2. Prediction of crystal properties by numerical simulation

    en.wikipedia.org/wiki/Prediction_of_crystal...

    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. Thus, high pressures can be simulated as easily as ambient pressures. [5]

  3. Crystal structure - Wikipedia

    en.wikipedia.org/wiki/Crystal_structure

    These high density planes have an influence on the behavior of the crystal as follows: [1] Optical properties: Refractive index is directly related to density (or periodic density fluctuations). Adsorption and reactivity: Physical adsorption and chemical reactions occur at or near surface atoms or molecules. These phenomena are thus sensitive ...

  4. 4-Cyano-4'-pentylbiphenyl - Wikipedia

    en.wikipedia.org/wiki/4-Cyano-4'-pentylbiphenyl

    4-Cyano-4'-pentylbiphenyl is a commonly used nematic liquid crystal with the chemical formula C 18 H 19 N. It frequently goes by the common name 5CB. 5CB was first synthesized by George William Gray, Ken Harrison, and J.A. Nash at the University of Hull in 1972 and at the time it was the first member of the cyanobiphenyls.

  5. Barium borate - Wikipedia

    en.wikipedia.org/wiki/Barium_borate

    Barium borate is an inorganic compound, a borate of barium with a chemical formula BaB 2 O 4 or Ba(BO 2) 2. It is available as a hydrate or dehydrated form, as white powder or colorless crystals. The crystals exist in the high-temperature α phase and low-temperature β phase, abbreviated as BBO ; both phases are birefringent , and BBO is a ...

  6. Crystal chemistry - Wikipedia

    en.wikipedia.org/wiki/Crystal_Chemistry

    learning the systematics of crystal and glass chemistry. understanding how physical and chemical properties are related to crystal structure and microstructure. studying the engineering significance of these ideas and how they relate to foreign products: past, present, and future. Topics studied are: Chemical bonding, Electronegativity

  7. Anisotropy - Wikipedia

    en.wikipedia.org/wiki/Anisotropy

    Tensor descriptions of material properties can be used to determine the directional dependence of that property. For a monocrystalline material, anisotropy is associated with the crystal symmetry in the sense that more symmetric crystal types have fewer independent coefficients in the tensor description of a given property.

  8. Crystallographic database - Wikipedia

    en.wikipedia.org/wiki/Crystallographic_database

    Crystal powder is obtained by grinding crystals, resulting in powder particles, made up of one or more crystallites. Both polycrystals and crystal powder consist of many crystallites with varying orientation. Crystal phases are defined as regions with the same crystal structure, irrespective of orientation or twinning. Single and twinned ...

  9. Fractional coordinates - Wikipedia

    en.wikipedia.org/wiki/Fractional_coordinates

    A crystal structure is defined as the spatial distribution of the atoms within a crystal, usually modeled by the idea of an infinite crystal pattern.An infinite crystal pattern refers to the infinite 3D periodic array which corresponds to a crystal, in which the lengths of the periodicities of the array may not be made arbitrarily small.