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Related Concept Videos

X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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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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In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
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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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Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Crystallographic Point Groups01:29

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Crystallographic point groups represent the various symmetry operations that can occur within crystals. They are unique in that at least one point will always remain unchanged during these actions. For instance, consider the triclinic system. This system, devoid of any axis or plane of symmetry, aligns with the C1 and Ci point groups.where Cᵢ is characterized solely by a center of inversion.Contrastingly, the monoclinic system introduces an element of symmetry. This system with one plane...
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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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Crystallographic Lattice Boltzmann Method.

Manjusha Namburi1, Siddharth Krithivasan1, Santosh Ansumali1

  • 1Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, 560064, India.

Scientific Reports
|June 3, 2016
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Summary
This summary is machine-generated.

This study introduces an optimized spatial discretization for the Lattice Boltzmann Method (LBM), utilizing a Body Centered Cubic (BCC) grid. This innovation significantly enhances computational efficiency, bringing direct numerical simulation (DNS) of complex fluid dynamics closer to reality.

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Area of Science:

  • Computational Fluid Dynamics
  • Numerical Simulation
  • Physics

Background:

  • Direct Numerical Simulation (DNS) is computationally intensive for realistic fluid dynamics.
  • The Lattice Boltzmann Method (LBM) offers a more efficient alternative for hydrodynamics simulation, especially in heterogeneous computing environments.
  • Current LBM applications still struggle with direct simulation of complex flows without turbulence models.

Purpose of the Study:

  • To investigate an alternative approach to LBM spatial discretization.
  • To identify an optimal grid arrangement for LBM to improve computational efficiency.
  • To advance the feasibility of DNS for complex fluid dynamics applications.

Main Methods:

  • Re-framing LBM by focusing on spatial discretization as the central theme.
  • Proposing a Body Centered Cubic (BCC) arrangement of grid points as the optimal spatial discretization for LBM.
  • Demonstrating the efficiency gains of the proposed BCC lattice in LBM simulations.

Main Results:

  • An order-of-magnitude gain in computational efficiency for the Lattice Boltzmann Method.
  • Validation of the Body Centered Cubic (BCC) grid as a superior spatial discretization strategy for LBM.
  • Significant progress towards enabling direct numerical simulation of realistic fluid dynamics problems.

Conclusions:

  • The Body Centered Cubic (BCC) grid arrangement represents a significant advancement in LBM spatial discretization.
  • The proposed method substantially improves LBM efficiency, making DNS of complex flows more attainable.
  • This research paves the way for more accessible and efficient simulations in fluid dynamics.