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Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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Phase behavior and crystal nucleation of hard triangular prisms.

Marjolein de Jager1, Nena Slaats1, Laura Filion1

  • 1Soft Condensed Matter and Biophysics, Debye Institute for Nanomaterials Science, Utrecht University, 3584 CC Utrecht, Netherlands.

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Crystal nucleation in hard triangular prisms shows simultaneous increases in density and orientational order, with no observed precursor fluctuations. This finding clarifies the self-organization process for anisotropic particles during crystal formation.

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Area of Science:

  • Condensed matter physics
  • Materials science
  • Computational chemistry

Background:

  • Crystal nucleation is complex, especially for anisotropic particles with orientational freedom.
  • Debate exists on whether density or structural fluctuations precede nucleation in hard spheres.
  • Anisotropic particles introduce orientational ordering as a key factor in self-organization.

Purpose of the Study:

  • Investigate crystal nucleation in hard triangular prisms.
  • Determine the role of densification and orientational ordering in nucleation.
  • Identify any precursor phenomena before nucleus formation.

Main Methods:

  • Utilized Monte Carlo simulations to determine crystal-fluid coexistence.
  • Calculated nucleation barriers at two supersaturation levels.
  • Employed brute force simulations to capture spontaneous nucleation events.

Main Results:

  • All local order parameters (density, positional, orientational) increased simultaneously.
  • No precursor fluctuations were detected preceding nucleus formation.
  • Simultaneous ordering suggests a concerted nucleation mechanism.

Conclusions:

  • Crystal nucleation in hard triangular prisms involves simultaneous ordering.
  • No evidence of density or orientational fluctuations foreshadowing nucleation was found.
  • Findings contribute to understanding self-organization in anisotropic systems.