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Related Concept Videos

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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Cellulose and Pectic Polysaccharides01:15

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 Every plant cell has a cell wall that protects the cell, provides structural support, and gives the cell shape. Cellulose, the main structural component of the plant cell wall, makes up over 30% of plant matter. It is the most abundant organic compound on earth.  Cellulose is an unbranched polysaccharide composed of linear chains of glucose molecules linked by β (1→4) glycosidic bonds.
As a cell matures, its cell wall specializes according to its type. For example, the...
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Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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Shear Diagram01:27

Shear Diagram

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In the study of beam mechanics, shear diagrams play a crucial role in understanding the distribution of shear forces along the length of a beam. Consider a beam AB that is supported at both ends and subjected to perpendicular loads.
First, a free-body diagram of the beam is drawn, representing all the external forces and internal reactions acting on the beam. One can calculate the reaction forces at each support by employing the equilibrium equations of force and moment. The vertical component...
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Shearing Stress01:19

Shearing Stress

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Shearing stress, denoted by the Greek letter tau (τ), is stress caused by forces acting transversely on an object. These forces create internal ones within the entity in the plane where the external forces are applied. The resultant of these internal forces is the shear in the section.
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Shearing Strain01:20

Shearing Strain

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The shearing strain represents a cubic element's angular change when subjected to shearing stress. This type of stress can transform a cube into an oblique parallelepiped without influencing normal strains. The cubic element experiences a significant transformation when exposed solely to shearing stress. Its shape alters from a perfect cube into a rhomboid, clearly demonstrating the effect of shearing strain. The degree of this strain is considered positive if it reduces the angle between the...
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High-Contrast and Fast Photorheological Switching of a Twist-Bend Nematic Liquid Crystal
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Cellulose crystals plastify by localized shear.

Gergely Molnár1, David Rodney2, Florian Martoïa3

  • 1Université Grenoble Alpes, CNRS, Grenoble Institute of Technology, Laboratoire Sols, Solides, Structures, Risques, F-38000 Grenoble, France.

Proceedings of the National Academy of Sciences of the United States of America
|June 22, 2018
PubMed
Summary
This summary is machine-generated.

Atomistic simulations reveal how cellulose crystals

Keywords:
crystalline cellulosedislocationsmolecular mechanics simulationnanoscale plasticityshear bands

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Area of Science:

  • Materials Science
  • Biomaterials
  • Computational Modeling

Background:

  • Cellulose microfibrils are key structural components in plants and wood.
  • Their crystalline domains offer excellent mechanical properties, suggesting potential as sustainable reinforcements.
  • The elastoplastic behavior of cellulose crystals is not well understood.

Purpose of the Study:

  • To investigate the plastic shear resistance of cellulose crystals using atomistic simulations.
  • To analyze the atomic mechanisms governing deformation in cellulose crystals.
  • To understand how cellulose's atomic structure influences its anisotropic elastoplastic properties.

Main Methods:

  • Atomistic simulations were employed.
  • Plastic shear resistance was determined.
  • Atomic deformation mechanisms were analyzed.

Main Results:

  • Shear in perfect cellulose crystals occurs via localized bands with significant dilatancy.
  • Anisotropic elastoplastic behavior is controlled by the cellulose crystal's atomic structure.
  • Noncovalent interactions, chain translations, and rotations influence crystal response to shear.
  • Crystalline defects, such as dislocations, reduce yield strength and dilatancy, similar to metals.

Conclusions:

  • The study elucidates the atomic-level deformation mechanisms in cellulose crystals.
  • Understanding these mechanisms is crucial for utilizing cellulose as a reinforcing material.
  • Defects significantly impact the mechanical properties of cellulose crystals.