Questions tagged [phase-diagram]

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13
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2answers
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Best protocol for finding liquid–solid coexistence curve in molecular dynamics?

I am trying to determine the melting temperature of an fcc metal as a function of pressure, which should give a liquid–solid phase diagram for this metal. For now, I'm not going to consider any ...
6
votes
1answer
64 views

Is it possible to analytically solve for a particular phase region of a CALPHAD database? (instead of guessing and checking)

As I understand it, a given CALPHAD database is essentially just a set of equations that model the Gibbs free energy of each phase within a given alloy system (set of elements). Typically, the main ...
7
votes
1answer
131 views

How can I determine the amount of cementite formed (in g) per 100 g of steel?

c(O) = 0.40 wt% C c($\alpha$) = 0.022 wt% C c(FeC3) = 6.70 wt% C3 For the Fe-C alloy with 99.6 wt% Fe-0.40 wt% C, determine (at the temperature immediately below the eutectoid) determine the amount of ...
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, ...