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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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A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...
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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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The temperature-composition phase diagram of two solids, A and B, which are immiscible in the solid phase but form miscible liquids, shows that when the temperature is low, these two exist as separate, pure solids (A and B). As the temperature increases, they transition into a single-phase liquid solution where A and B coexist. Moving from point a1 to a2 in the phase diagram, the composition changes such that solid B begins to separate from the solution, enriching the remaining liquid with A.
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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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Solid-solid collapse transition in a two dimensional model molecular system.

Rakesh S Singh1, Biman Bagchi

  • 1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India.

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|December 11, 2013
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Summary
This summary is machine-generated.

We studied solid-solid collapse transitions in molecular systems using Monte Carlo simulations. We found that nucleating clusters grow as linear strips, challenging classical nucleation theory.

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Condensed Matter Physics

Background:

  • Solid-solid collapse transitions are common in nature.
  • Understanding these transitions in molecular systems is complex due to interacting energy and length scales, often influenced by solvents.

Purpose of the Study:

  • To investigate the collapse transition in a model molecular system with isotropic and anisotropic interactions.
  • To analyze temperature-induced transitions from a metastable honeycomb solid to a high-density oblique solid.

Main Methods:

  • Monte Carlo simulations were employed to study the collapse transition.
  • A Mercedes-Benz (MB) model with specific parameters sustaining honeycomb and oblique solid phases was used.
  • Temperature was increased to induce the collapse transition from the honeycomb phase.

Main Results:

  • Contrary to classical nucleation theory, linear strip-like nucleating clusters were observed.
  • These clusters exhibited different order and coordination numbers compared to the bulk stable phase.
  • Cluster growth evolved from linear strips to branched and ring-like structures, driven by a balance of interactions.

Conclusions:

  • The observed cluster geometry results from a balance between stabilizing and destabilizing surface energies.
  • The nucleus of the stable oblique phase is wetted by intermediate-order particles, minimizing surface free energy.
  • Pressure-induced transitions at low temperatures lead to a disordered solid phase with diverse local structures.