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Thermal Sigmatropic Reactions: Overview01:16

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Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
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When a fluid encounters a solid surface, a boundary layer forms due to the interaction between the fluid's motion and the stationary surface. This phenomenon is characterized by a thin region adjacent to the surface where viscous forces dominate, influencing the fluid's velocity profile. The development of the boundary layer begins at the leading edge of the surface and evolves as the fluid moves downstream.As the fluid flows over the surface, friction between the fluid and the wall slows down...
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The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
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Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
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Related Experiment Video

Updated: Jun 9, 2025

Atom Probe Tomography Studies on the CuIn,GaSe2 Grain Boundaries
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Topological grain boundary segregation transitions.

Vivek Devulapalli1, Enze Chen2, Tobias Brink1

  • 1Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf, Germany.

Science (New York, N.Y.)
|October 24, 2024
PubMed
Summary
This summary is machine-generated.

Iron segregation in titanium stabilizes unique icosahedral cages at grain boundaries (GBs). These cages form distinct, hierarchical GB phases, offering new pathways for materials design.

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Area of Science:

  • Materials Science
  • Metallurgy
  • Nanotechnology

Background:

  • Tailoring polycrystalline material properties via grain boundary (GB) engineering is crucial.
  • Solute segregation at GBs can induce phase transitions, theoretically offering interface design pathways.
  • The atomistic mechanisms of solute-induced GB phase transitions remain poorly understood.

Purpose of the Study:

  • To investigate the atomistic nature of solute segregation triggering phase transitions at GBs.
  • To elucidate the role of iron segregation in stabilizing specific GB structures in titanium.
  • To explore the formation and characteristics of novel GB phases induced by solute segregation.

Main Methods:

  • Atomic resolution electron microscopy for direct imaging of GB structures.
  • Atomistic simulations to model solute segregation and phase formation.
  • Advanced GB structure prediction algorithms to validate observed phases.

Main Results:

  • Iron segregation to GBs in titanium stabilizes icosahedral units ('cages').
  • These icosahedral cages act as building blocks for distinct GB phases with five-fold symmetry.
  • Hierarchical GB phases assemble through clustering of these cages, exhibiting varied structures.
  • Observed phases and high iron excess at GBs are validated by simulations.

Conclusions:

  • Iron segregation drives the formation of novel, hierarchical GB phases in titanium.
  • Icosahedral cages are key structural units in these solute-stabilized GB phases.
  • Understanding these atomistic mechanisms enables precise engineering of GB properties for advanced materials.