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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...
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Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
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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...
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The internal energy of a substance—the total kinetic energy of all its molecules and the potential energy of their associated forces—depends on the strength of the intermolecular forces in the condensed phases and the pressure exerted on the substance. The internal energy of a substance is the highest in the gaseous state, the lowest in the solid state, and intermediate in the liquid state. Phase transitions are caused by changes in physical conditions, such as temperature and...
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The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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Shape-Determined Kinetic Pathways in 2D Solid-Solid Phase Transitions.

Ruijian Zhu1,2, Yi Peng3,2, Yanting Wang1,2

  • 1Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing, 100190, China.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|November 3, 2025
PubMed
Summary
This summary is machine-generated.

Anisotropic particle systems exhibit diverse solid-solid phase transition pathways. Molecular dynamics simulations reveal shape-dependent kinetic coupling between translation and rotation, impacting transition rates.

Keywords:
ball‐stick polygonkineticsmolecular dynamics simulationsoft mattersolid–solid phase transition

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Statistical Mechanics

Background:

  • Solid-solid phase transitions are common but their kinetics in anisotropic systems are poorly understood.
  • The interplay between particle translation and rotation is crucial for these kinetic processes.

Purpose of the Study:

  • To investigate the kinetic pathways of solid-solid phase transitions in 2D anisotropic particle systems.
  • To elucidate the role of molecular anisotropy and kinetic coupling modes on transition dynamics.

Main Methods:

  • Molecular dynamics simulations were performed on 2D ball-stick polygon systems (pentagon, hexagon, octagon).
  • Analysis focused on translational motion, body-orientation evolution, and defect self-organization.

Main Results:

  • All systems underwent isostructural solid-solid phase transitions.
  • Translational motion showed homogeneous expansion during heating.
  • Body-orientation evolution and defect patterns were shape-dependent (vague stripe for pentagon, random for hexagon, distinct stripe for octagon).
  • Kinetic pathways varied: octagon followed quasi-equilibrium, hexagon was translation-dominated, pentagon was rotation-dominated.
  • Cooling processes exhibited more diverse pathways due to kinetic traps.

Conclusions:

  • Molecular anisotropy dictates diverse kinetic coupling modes, influencing phase transition rates.
  • Findings enhance understanding of microscopic phase transition kinetics.
  • Provides guidance for designing materials with specific kinetic properties.