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Ionic Crystal Structures02:42

Ionic Crystal Structures

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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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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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Metallic Solids02:37

Metallic Solids

18.7K
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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Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

9.9K
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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Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

13.2K
Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
13.2K
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

17.6K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
17.6K

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Related Experiment Video

Updated: Sep 14, 2025

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
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Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

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Basal dislocations in proton-ordered hexagonal ice.

Michael J Demkowicz1

  • 1Department of Materials Science and Engineering, Texas A&M University, College Station, Texas 77843, USA.

The Journal of Chemical Physics
|July 23, 2025
PubMed
Summary

Proton ordering in hexagonal ice does not ease dislocation glide. Molecular dynamics reveal specific dislocations remain sessile, with some moving only at high stresses, impacting plastic flow theories.

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Hexagonal ice (ice Ih) exhibits complex proton ordering, particularly in its low-temperature phase (ice XI).
  • Dislocation glide is a primary mechanism for plastic deformation in crystalline solids, including ice.
  • Understanding dislocation behavior is crucial for predicting ice's mechanical properties under various conditions.

Purpose of the Study:

  • To investigate the core structures and critical resolved shear stresses for basal dislocation glide in proton-ordered hexagonal ice.
  • To determine the mobility of different types of dislocations (straight, kinked, 60°, screw) on shuffle and glide set planes.
  • To assess the influence of proton ordering on the ease of dislocation movement.

Main Methods:

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An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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Last Updated: Sep 14, 2025

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
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An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions
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An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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  • Molecular dynamics (MD) simulations were employed to model dislocation behavior.
  • Analysis focused on core structures and the calculation of critical resolved shear stresses (CRSS) for dislocation motion.
  • Simulations examined dislocations on both shuffle and glide set planes within the hexagonal ice lattice.
  • Main Results:

    • Most investigated dislocations, including screw and kinked types, were found to be sessile, requiring high resolved shear stresses (≥0.11) for movement.
    • Straight 60° shuffle dislocations exhibited varying CRSS depending on core orientation and loading direction.
    • The lowest observed modulus-normalized CRSS for a straight 60° shuffle dislocation was 0.044, comparable to the Peierls barrier in diamond. Kinks could either impede or reduce this stress to 0.037.
    • Proton ordering in hexagonal ice was found not to facilitate dislocation glide.

    Conclusions:

    • Proton ordering does not significantly lower the energy barrier for basal dislocation glide in hexagonal ice.
    • The sessile nature of most dislocations suggests limited plastic flow in proton-ordered ice under typical conditions.
    • Findings necessitate a re-evaluation of existing theories regarding the plastic flow of ice Ih and ice XI.