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Metallic Solids02:37

Metallic Solids

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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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
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Crystal Field Theory - Octahedral Complexes02:58

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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...
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Bending of Members Made of Several Materials01:08

Bending of Members Made of Several Materials

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In analyzing a structural member composed of two different materials with identical cross-sectional areas, it is crucial to understand how their distinct elastic properties affect the member's response under load. The analysis involves assessing stress and strain distributions using the transformed section concept, which accounts for variations in material properties.
Hooke's Law determines stress in each material, stating that stress is proportional to strain but varies due to each...
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Temperature Dependent Deformation01:12

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In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

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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,...
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Lattice Centering and Coordination Number02:33

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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
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Local structural modelling and local pair distribution function analysis for Zr-Pt metallic glass.

Akihiko Hirata1,2,3,4,5, Satoru Tokuda6,7,8, Chihiro Nakajima9

  • 1Department of Materials Science, Waseda University, Shinjuku, Tokyo, 169-8555, Japan. ahirata@aoni.waseda.jp.

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|June 10, 2024
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Summary
This summary is machine-generated.

This study reveals icosahedral short-range order (SRO) in Zr-Pt metallic glass using advanced modeling. The findings show consistent SRO structures with varying bond distances, crucial for understanding amorphous materials.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Establishing structural models for disordered glass is challenging.
  • Local experimental data analysis for amorphous materials requires refined methods.

Purpose of the Study:

  • To investigate icosahedral short-range order (SRO) in Zr-Pt metallic glass.
  • To develop and apply local structural modeling techniques for amorphous materials.

Main Methods:

  • Utilized reverse Monte Carlo (RMC) simulations for local structural modeling.
  • Employed two-dimensional angstrom-beam electron diffraction (ABED) patterns as input.
  • Performed local pair distribution function (PDF) analysis.

Main Results:

  • Local structural modeling consistently identified distorted icosahedral SRO atomic configurations.
  • Identified SRO structures with 11-13 coordination numbers yielding similar ABED patterns.
  • Local PDF analysis confirmed wide atomic bond distance distributions at the SRO level.

Conclusions:

  • The study establishes a robust method for analyzing SRO in metallic glasses using ABED and local PDF analysis.
  • Findings suggest that SRO in Zr-Pt metallic glass exhibits significant structural diversity.
  • Proposed methods enhance the reliability of SRO models compared to conventional simulations.