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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to occupy...
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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Morphology of critical nuclei in solid-state phase transformations.

Lei Zhang1, Long-Qing Chen, Qiang Du

  • 1Department of Mathematics, Penn State University, Pennsylvania 16802, USA. zhang_l@math.psu.edu

Physical Review Letters
|August 7, 2007
PubMed
Summary

Predicting critical nucleus shape in solids is now possible using a diffuse-interface approach and minimax algorithm. This method reveals novel nonconvex nucleus shapes and lower symmetries in elastically anisotropic materials.

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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

Published on: June 7, 2018

Area of Science:

  • Solid-state physics
  • Materials science
  • Computational materials science

Background:

  • Predicting the morphology of critical nuclei in solids is crucial for understanding solid-state phase transformations.
  • Elastic anisotropy in solids presents significant challenges to traditional nucleus shape prediction models.

Purpose of the Study:

  • To develop a method for predicting critical nucleus morphology in elastically anisotropic solids without prior assumptions.
  • To investigate the possibility of nonconvex critical nucleus surfaces.

Main Methods:

  • Utilizing a diffuse-interface approach to model the phase transformation interface.
  • Employing a minimax algorithm to determine the critical nucleus shape.
  • Analyzing the influence of elastic energy on nucleus morphology.

Main Results:

  • Successfully predicted critical nucleus morphology in elastically anisotropic solids.
  • Demonstrated the existence of nonconvex critical nucleus surfaces.
  • Observed that strong elastic energy can result in critical nuclei with point group symmetry lower than the parent and new phases.

Conclusions:

  • The diffuse-interface and minimax algorithm approach provides a robust framework for predicting critical nucleus shapes.
  • Elastic energy plays a critical role in determining nucleus morphology and symmetry.
  • The findings challenge conventional assumptions about nucleus symmetry in phase transformations.