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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...
Entropy Change in Reversible Processes01:10

Entropy Change in Reversible Processes

In the Carnot engine, which achieves the maximum efficiency between two reservoirs of fixed temperatures, the total change in entropy is zero. The observation can be generalized by considering any reversible cyclic process consisting of many Carnot cycles. Thus, it can be stated that the total entropy change of any ideal reversible cycle is zero.
The statement can be further generalized to prove that entropy is a state function. Take a cyclic process between any two points on a p-V diagram.
Temperature Dependent Deformation01:12

Temperature Dependent Deformation

In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added together...
Entropy Changes Accompanying Specific Processes01:21

Entropy Changes Accompanying Specific Processes

Entropy, a measure of disorder in a system, changes during phase transitions like freezing or boiling. At the transition temperature Ttrs, where two phases are in equilibrium, the phase transition is a reversible process. The entropy change can be calculated from a substance's enthalpy of transition using the equation ΔStrs = ΔtrsH /Ttrs.When a perfect gas expands isothermally from one volume to another, entropy increases logarithmically with volume. Conversely, isothermal compression results...
Absolute Entropies and the Third Law of Thermodynamics01:23

Absolute Entropies and the Third Law of Thermodynamics

Ludwig Edward Boltzmann developed a definition for entropy, which stated that absolute entropy is proportional to the natural logarithm of the number of possible combinations of particles. Entropy stands alone among state functions as the only one whose absolute values can be determined.Consider a gas sample confined to a container. As the container expands, the energy levels of gas molecules become more closely spaced. This increases the number of available energy states, thereby increasing...
Phase Transitions01:21

Phase Transitions

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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Related Experiment Video

Updated: Jul 16, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

Low-temperature structural transitions: circumventing the broken-ergodicity problem.

Vladimir A Sharapov1, Dario Meluzzi, Vladimir A Mandelshtam

  • 1Chemistry Department, University of California at Irvine, Irvine, California 92697, USA.

Physical Review Letters
|March 16, 2007
PubMed
Summary

This study introduces an enhanced replica exchange method to overcome slow convergence in very-low-temperature solid-solid transitions. The improved technique accurately analyzes Lennard-Jones clusters, addressing the broken-ergodicity challenge.

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Last Updated: Jul 16, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

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Published on: June 7, 2018

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Published on: May 15, 2017

Area of Science:

  • Computational physics
  • Materials science
  • Statistical mechanics

Background:

  • Systems at very low temperatures often exhibit "broken-ergodicity," hindering accurate simulations.
  • The replica exchange method, while powerful, can converge too slowly for these challenging systems.

Purpose of the Study:

  • To propose an improved replica exchange method for simulating very-low-temperature solid-solid transitions.
  • To address the severe "broken-ergodicity" problem that limits conventional simulation techniques.

Main Methods:

  • Coupling lower-temperature random walks with analytically generated random walks from an auxiliary harmonic superposition system.
  • Applying the enhanced method to Lennard-Jones clusters.

Main Results:

  • Achieved numerically accurate results for Lennard-Jones clusters.
  • Demonstrated the effectiveness of the improved method in overcoming slow convergence issues.
  • Provided accurate analyses for systems previously limited to harmonic superposition approximations.

Conclusions:

  • The proposed enhancement to the replica exchange method effectively tackles the "broken-ergodicity" problem in low-temperature systems.
  • This approach offers a more efficient and accurate simulation strategy for complex solid-solid transitions.
  • The method's success with Lennard-Jones clusters suggests broader applicability in condensed matter physics and materials science.