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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Crystal Field Theory
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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
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Superioniclike Diffusion in an Elemental Crystal: bcc Titanium.

D G Sangiovanni1,2, J Klarbring1, D Smirnova2,3

  • 1Department of Physics, Chemistry and Biology (IFM) Linköping University, SE-581 83 Linköping, Sweden.

Physical Review Letters
|October 2, 2019
PubMed
Summary
This summary is machine-generated.

Concerted atomic migration, a rapid collective movement, is observed in pure titanium (Ti) at high temperatures. This mechanism explains the unusual diffusion properties seen in body-centered cubic titanium.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Theoretical studies predicted concerted atomic migration in body-centered cubic (bcc) iron under extreme conditions.
  • High-temperature bcc phases of metals exhibit complex diffusion behaviors that are not fully understood.

Purpose of the Study:

  • To investigate the diffusion mechanism in high-temperature bcc titanium at ambient pressure.
  • To determine if a concerted migration mechanism, similar to that in bcc Fe, is relevant for pure Ti.
  • To elucidate the atomistic origins of anomalous self-diffusivities in bcc Ti.

Main Methods:

  • Combined first-principles calculations with semiempirical atomistic simulations.
  • Investigated defect-free crystal regions in pure Ti.

Main Results:

  • Identified a diffusion mechanism involving the collective movement of multiple atoms (2-dozens) in bcc Ti.
  • Observed rapid, collective atomic motion along tangled closed-loop paths.
  • This mechanism is analogous to that predicted for bcc Fe at extreme conditions.

Conclusions:

  • Concerted migration is operative and relevant for the high-temperature bcc phase of pure Ti.
  • This phenomenon resembles diffusion in superionics and liquid metals.
  • Concerted migration likely explains the vanishingly small omega-mode phonon frequencies and anomalous, non-Arrhenius self-diffusivities in bcc Ti.