Questions tagged [phase-transitions]

Questions related to phase transitions in matter.

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12
votes
0answers
115 views

Phase transition in Molecular Dynamics simulations

I am reading the book "Computer Simulations of Liquids" by Allen and Tildesley, 2nd edition where on multiple occasions it says MD is valid and has no problem as long as the conditions ...
4
votes
1answer
49 views

Martensitic transformation, start and finish temperatures

Searching about the microstructure of Cu-Ni-Zn alloys I came across this article (published 2017) which in its conclusion section says: "It was observed that the starting and finishing ...
5
votes
1answer
83 views

Thermo-calc: Calculate precipitation driving force by parallel tangent construction

I want to calculate the difference in Gibbs free energies between a Zr-Cu-Al liquid (composition - Zr 65 Cu 27.5 Al 7.5 at%) and the CuZr2 solid phase as a function of temperature (300 - 1000 K). In ...
18
votes
3answers
758 views

Ising model: How can I spot the critical point?

Consider a zero-field Ising model with $N$ spins and periodic boundary conditions, with the Hamiltonian given by: $$H = -K \sum _{(ij)} s_i s_j\tag{1}$$ in 1D and 2D, where $K = \frac{J}{k_BT}$, where ...
6
votes
1answer
99 views

What information about a crystalline solid material goes into calculating phase diagrams in Thermo-Calc, and how?

Gibbs free energy, $G$, for a crystalline solid material could be described as: \begin{equation} G\: =\: H_{T=0}\: +\: H_{T>0}\: +\: \text{ZPE}\: -\: T\cdot S, \end{equation} Where $H$ is enthalpy, ...
9
votes
0answers
100 views

Coupling between 1st and 2nd order phase transitions? [closed]

I am seeking some models or references on how to couple, or what to take into consideration, while coupling first-order phase transitions (for magnetic systems) and second-order phase transitions, in ...
8
votes
0answers
77 views

How is the phase degradation of concrete modeled? [closed]

Acid attack in concrete is a problem in sewage structures. The phases degrade with the pH change at different pH values. The conditions in sewers is complex: The presence of a combination of acids, ...
21
votes
2answers
260 views

Is there a list of all universality classes for phase transitions with examples of each?

I've often had this problem: I have a model that has a phase transition in it, but I don't know what universality class it falls into or what the universality class is called. Is there anywhere on ...