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Related Concept Videos

Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

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Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
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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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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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Crystal Growth: Principles of Crystallization01:25

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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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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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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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Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds.

ZhongTing Zhang1, ZhouYu Fang1, HengAn Wu1,2

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Atomically disordered diamonds exhibit unique properties. Simulations reveal that paracrystalline diamond formation is temperature-dependent, favoring specific temperature ranges for its unique structure.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Nanotechnology

Background:

  • Recent experiments have produced atomically disordered diamonds with medium-range order, expanding the understanding of atomic disorder.
  • Existing models for amorphous carbons do not fully explain the distinct formation of paracrystalline diamond (p-D) compared to other tetrahedral amorphous carbons (ta-Cs).
  • The formation of p-D is sensitive to temperature, suggesting a critical role for thermal conditions.

Purpose of the Study:

  • To investigate the temperature-dependent nucleation mechanisms of paracrystalline diamond in atomically disordered diamonds using atomistic simulations.
  • To elucidate the phase transitions between different tetrahedral amorphous carbon structures under varying temperatures.
  • To identify the specific temperature range conducive to the formation of paracrystalline diamond.

Main Methods:

  • Atomistic-based simulations were employed to model the behavior of disordered diamond structures.
  • Metadynamics simulations were utilized to explore the free energy landscape of phase transitions.
  • Two carefully designed collective variables were used to track and analyze the reversible phase transitions between different ta-Cs.

Main Results:

  • Simulations demonstrated reversible phase transitions among various ta-Cs at different temperatures, supported by free energy surface analysis.
  • Paracrystalline diamond (p-D) was found to be preferentially formed within a narrow, specific temperature range.
  • The identified temperature range for p-D formation aligns with experimentally observed conditions when analyzed using the Arrhenius framework.

Conclusions:

  • The formation of paracrystalline diamond is intrinsically linked to specific temperature conditions.
  • Atomistic simulations provide a powerful tool for understanding the formation pathways of amorphous carbon materials.
  • These findings offer new perspectives for the investigation and controlled synthesis of other types of amorphous carbons.