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Related Concept Videos

Metallic Solids02:37

Metallic Solids

21.1K
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....
21.1K
Ionic Crystal Structures02:42

Ionic Crystal Structures

18.7K
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...
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Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

26.9K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
26.9K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

31.2K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.2K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

49.0K
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,...
49.0K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

13.2K
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...
13.2K

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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

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Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems.

W B Zhang1, J Liu1, S H Lu2

  • 1International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310027, People's Republic of China.

Scientific Reports
|August 6, 2017
PubMed
Summary

The size of copper-zirconium amorphous systems significantly impacts their atomic structure and properties. Smaller amorphous particles and films exhibit distinct core-shell characteristics, influencing their glass transition temperatures.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Understanding the size-dependent properties of amorphous alloys is crucial for developing advanced materials.
  • Previous studies on crystalline alloys show size effects, but less is known about amorphous systems.

Purpose of the Study:

  • To investigate the influence of size on the atomic structure and glass transition temperature of Cu64Zr36 amorphous systems.
  • To compare the size effects in amorphous particles and films with bulk amorphous materials.

Main Methods:

  • Molecular dynamics simulations were employed to model zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs).
  • Analysis focused on local atomic structure, coordination numbers, bond lengths, packing density, and atomic segregation.
  • Glass transition temperatures (Tg) were determined for core and shell components of SSAPs and for SSAFs of varying thicknesses.

Main Results:

  • Sample size strongly affects the local atomic structure of Cu64Zr36 SSAPs and SSAFs, creating distinct core and shell regions.
  • The shell component of SSAPs exhibits lower average coordination number, longer bond lengths, higher ordering, and lower packing density due to Cu segregation.
  • Glass transition temperatures differ significantly between the core (910 K) and shell (577 K) of SSAPs, and Tg decreases with decreasing thickness in SSAFs.

Conclusions:

  • Size effects in amorphous Cu64Zr36 systems lead to unique atomic structures and altered thermal properties compared to bulk materials.
  • Cu segregation at the surface/shell significantly influences the reduced glass transition temperature observed in nanoscale amorphous systems.
  • These findings differ from size effects observed in nanometer-sized crystalline metallic alloys, highlighting the unique behavior of amorphous materials.