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Related Concept Videos

Metallic Solids02:37

Metallic Solids

18.3K
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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.3K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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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.
Types of Unit Cells
Imagine taking a large number of identical...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

41.8K
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,...
41.8K
Ionic Crystal Structures02:42

Ionic Crystal Structures

14.2K
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.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.2K

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Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys
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Grand canonically optimized grain boundary phases in hexagonal close-packed titanium.

Enze Chen1,2,3,4, Tae Wook Heo5, Brandon C Wood5

  • 1Department of Materials Science and Engineering, University of California, Berkeley, CA, USA. enze@stanford.edu.

Nature Communications
|August 15, 2024
PubMed
Summary
This summary is machine-generated.

We developed GRIP, an open-source tool for predicting grain boundary (GB) structures and phases. GRIP reveals new GB phases and transitions in titanium, impacting defect accommodation.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Solid State Physics

Background:

  • Grain boundaries (GBs) significantly impact material properties and performance.
  • Understanding GB structure and phase behavior is crucial for materials design.
  • Computational studies suggest multiple GB phases exist based on atomic density.

Purpose of the Study:

  • To introduce GRIP, an automated tool for high-throughput, grand canonical optimization of GB structures.
  • To demonstrate GRIP's utility beyond cubic systems, specifically in hexagonal close-packed titanium.
  • To explore tilt GBs in titanium and identify novel structures and phase transitions.

Main Methods:

  • Development and validation of the GRand canonical Interface Predictor (GRIP) tool.
  • High-throughput computational screening of tilt grain boundaries in hexagonal close-packed titanium.
  • Analysis of GB phase transformations and their coupling with point defect behavior.

Main Results:

  • GRIP successfully automates the prediction of GB structures and phases.
  • Systematic exploration of titanium tilt GBs revealed previously unreported structures and phase transitions.
  • A coupling between point defect absorption and GB dislocation network topology changes was observed in low-angle boundaries.

Conclusions:

  • GRIP is a valuable tool for advancing the understanding of GBs in various material systems.
  • New GB phases and transitions in titanium have been discovered, expanding knowledge of its interfacial behavior.
  • The findings have significant implications for understanding and managing radiation-induced defects in materials.