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Related Concept Videos

Solid–Solid Solutions01:24

Solid–Solid Solutions

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.
Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

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...
Phase Diagram01:24

Phase Diagram

A phase diagram is a graphical representation of the physical states of a substance under different conditions of temperature and pressure. It shows the boundaries between solid, liquid, and gas phases and the conditions at which these phases coexist in equilibrium. An area in a phase diagram represents a single phase, whereas lines or phase boundaries represent the equilibrium between two phases.In the phase diagram of water, the boundary line between the solid and liquid states illustrates...
Phase Diagram01:19

Phase Diagram

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).
Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

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...
Phase Diagrams02:39

Phase Diagrams

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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Related Experiment Video

Updated: Jul 12, 2026

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers
12:37

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers

Published on: September 4, 2015

Efficient method for calculation of low-temperature phase boundaries.

Lucas Svensson1,2, Babak Sadigh3, Christine Wu3

  • 1Department of Physics and Astronomy, Chalmers University of Technology, SE 412 96 Gothenburg, Sweden.

The Journal of Chemical Physics
|July 10, 2026
PubMed
Summary
This summary is machine-generated.

This study introduces an efficient framework for predicting material phase boundaries at low temperatures. The method combines the Clausius-Clapeyron equation with the quasi-harmonic approximation, reducing computational costs for phase transition predictions.

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Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers
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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Thermodynamics

Background:

  • Predicting material behavior requires understanding phase stability and transformations under varying thermodynamic conditions.
  • Density functional theory (DFT) is crucial for predicting pressure-induced phase transitions at 0 K.
  • Extending calculations to finite temperatures is computationally expensive due to thermal, quantum, and anharmonic effects.

Purpose of the Study:

  • To develop a general and efficient framework for calculating low-temperature phase boundaries.
  • To incorporate thermal, quantum, and anharmonic contributions to free energy calculations.
  • To reduce the computational cost associated with finite-temperature phase transition predictions.

Main Methods:

  • Combining the Clausius-Clapeyron equation with the quasi-harmonic approximation.
  • Utilizing a machine-learned interatomic potential trained on DFT data.
  • Employing efficient thermodynamic sampling for free energy estimates.

Main Results:

  • The proposed framework efficiently calculates low-temperature phase boundaries.
  • Internal degrees of freedom, quantum, and low-order anharmonic effects are naturally incorporated.
  • The phase diagram of silica was constructed for pressures up to 12 GPa and temperatures up to 1750 K.

Conclusions:

  • The developed framework offers an accurate and efficient method for phase boundary calculations.
  • This approach significantly reduces computational expense compared to traditional methods.
  • The methodology is applicable to constructing phase diagrams for various materials.