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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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Phase Transitions: Melting and Freezing02:39

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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 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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A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
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Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
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A review on computational modelling of phase-transition problems.

Hector Gomez1, Miguel Bures1, Adrian Moure1

  • 1School of Mechanical Engineering , Purdue University , 585 Purdue Mall, West Lafayette, 47907 IN , USA.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|March 5, 2019
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This review explores computational challenges in modeling phase transitions, focusing on interfacial phenomena and the phase-field method for materials science applications.

Keywords:
computational methodsphase transitionphase-field modelling

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Area of Science:

  • Materials Science
  • Computational Physics
  • Chemical Engineering

Background:

  • Phase transitions are fundamental processes across scientific disciplines.
  • Computational modeling is crucial for understanding these transformations.
  • Challenges exist in accurately simulating phase-change phenomena.

Purpose of the Study:

  • To review computational modeling challenges for phase transitions.
  • To highlight difficulties in model development and numerical methods.
  • To emphasize interfacial phenomena and phase-field approaches.

Main Methods:

  • Literature review of computational phase-transition modeling.
  • Focus on classical transformations (liquid-solid, gas-liquid, solid-solid).
  • In-depth analysis of interfacial phenomena and phase-field methods.

Main Results:

  • Identified key challenges in computational phase-transition modeling.
  • Discussed limitations in current model development and numerical discretization.
  • Highlighted the importance and complexities of interfacial dynamics.

Conclusions:

  • Accurate computational modeling of phase transitions requires addressing significant challenges.
  • The phase-field method offers a promising framework for interfacial phenomena.
  • Further research is needed for robust and efficient simulation techniques.