Phase Transformation Models
In this section, the different types of phase transformations are described.
The Leblond–Devaux Model
This phase transformation model is based on the work of Leblond and Devaux (Ref. 1). The model primarily considers carbon-diffusion-based phase transformations that occur in steels during heat treatment. Such transformations include austenite to ferrite, and austenite to bainite. There are three formulations for the Leblond–Devaux model:
General coefficients
Using this form, the transformation of a source phase into a destination phase is given by
(3-2)
where the phase transformation is active only when ; that is, when the right-hand side of Equation 3-2 is strictly positive. In general, the functions and are functions of temperature T. It was shown in Ref. 1 that the bainitic transformation additionally depends on the rate of cooling, . In this case, the functions and are functions of both T and .
Time and Equilibrium
This form is a special case of the general-coefficients form. The phase transformation is defined by an equilibrium phase fraction for the destination phase and a time constant . The phase transformation is given by
(3-3)
where the phase transformation is active only when ; that is, when the right side of Equation 3-3 is strictly positive. The equilibrium phase fraction and the time constant are typically functions of temperature.
TTT Diagram Data
At constant temperature, the time-temperature formulation of the Leblond-Devaux phase transformation model can be integrated analytically:
(3-4)
This enables straightforward calibration of the model parameters from TTT diagram data. At a given temperature, the equilibrium phase fraction of the destination phase is . A relative phase fraction of the destination phase is defined such that it is 1.0 as the equilibrium phase fraction is reached. The relative phase fraction X is given by
(3-5)
In the TTT diagram in Figure 3-1, a curve representing a fixed destination phase fraction is shown. At a fixed temperature T, this destination phase fraction is reached at time t1, so that
(3-6)
The characteristic time is then expressed as
(3-7)
where t1 will vary with temperature, and the relative phase fraction X1 is understood to be the relative phase fraction corresponding to .
Figure 3-1: Constant phase fraction curve in a TTT diagram
This way of fitting the Leblond-Devaux model to TTT diagram data will be most accurate near the chosen phase fraction curve in the TTT diagram. If, for example, the 0.1% curve is used, the phase transformation model will likely predict the onset of destination phase formation well, but it will show less good agreement with the TTT diagram near completion.
The Johnson–Mehl–Avrami–Kolmogorov (JMAK) Model
This phase transformation model is based on the work by Leblond and others (Ref. 3).
There are two formulations for the JMAK model:
Time, Equilibrium, and Exponent
The first formulation can be viewed as a generalization of the time-temperature formulation for the Leblond–Devaux model. It is based on an Avrami law of the form
(3-8)
The equilibrium phase fraction , the time constant and the Avrami exponent are typically functions of temperature. On rate form, Equation 3-8 can be expressed as
(3-9)
where the explicit time dependence has been eliminated. The phase transformation is active only when ; that is, when the right side of Equation 3-9 is strictly positive. For the special case of , the equation reduces to the time-and-equilibrium form of the Leblond–Devaux model (Equation 3-3). The JMAK phase transformation model in Equation 3-9 has a mathematical disadvantage in that an initial destination phase fraction equal to zero will yield a trivial zero solution, as the logarithm will evaluate to zero. There are different ways to circumvent this problem. One way is to require the initial phase fraction be assigned a small, but finite, value. Another way is to modify the rate equation itself, so that a zero initial phase fraction does not yield a trivial zero solution. In the phase transformation interfaces, the JMAK phase transformation model in Equation 3-9 is modified for small values on the phase fraction . Below a certain threshold, the argument for the logarithm is modified so that the logarithm does not produce a zero value. This threshold phase fraction is set to 10-6 by default.
The phase fraction threshold variable used by the JMAK phase transformation model can be modified in the Equation View of the Phase Transformation node. Typically, the default value of 105 should not have to be changed.
TTT Diagram Data
As in the case of the Leblond–Devuax model, the JMAK model can be calibrated using TTT diagram data. The integrated form in Equation 3-8 is used to calibrate the time constant and the Avrami exponent . To calibrate these two phase transformation model parameters, two curves are needed from a TTT diagram, see Figure 3-2. At a fixed temperature T, the two destination phase fractions are reached at times t1 and t2, respectively, so that
(3-10)
(3-11)
After some algebra, the time constant and Avrami exponent can be expressed as
(3-12)
(3-13)
where the relative phase fractions X1 and X2 are understood to be the relative phase fractions corresponding to and , respectively. The transformation times t1 and t2 will vary with temperature.
Figure 3-2: Constant phase fraction curves in a TTT diagram
The Kirkaldy–Venugopalan Model
This phase transformation model is based on the work by Kirkaldy and Venugopalan (Ref. 10), and extended and modified by several others. There are two formulations for the Kirkaldy–Venugopalan phase transformation model:
Rate Coefficient
The rate form describing the phase transformation model is given by
(3-14)
where is the equilibrium phase fraction, is a reference rate that in principle depends on temperature, chemical composition and grain size, and Cr is a retardation coefficient. The relative phase fraction X is defined as
(3-15)
so that the rate of formation of the destination phase approaches zero as the relative phase fraction approaches one, i.e. when the phase transformation nears completion. The Kirkaldy–Venugopalan phase transformation model shares the mathematical disadvantage with the JMAK model in that an initial destination phase fraction of zero will yield a trivial zero solution. Similar to the JMAK phase transformation model, the Kirkaldy–Venugopalan phase transformation model is modified. A small threshold value for the destination phase fraction ξd is introduced, so that the phase transformation model produces a non-zero rate below this value.
The phase fraction threshold variable used by the Kirkaldy–Venugopalan phase transformation model can be modified in the Equation View of the Phase Transformation node. Typically, the default value of 10−5 should not have to be changed.
TTT Diagram Data
The Kirkaldy–Venugopalan phase transformation model can be calibrated using TTT diagram data. Similar to the cases of the Leblond-Devaux and JMAK phase transformation models, the expression for the rate of destination phase formation is used to identify the model parameters, here the rate coefficient . If we re-arrange the rate expression in Equation 3-14, we get an expression of the form
(3-16)
where the relative phase fraction X has been used. Note that at a fixed temperature, the equilibrium phase fraction is constant, and it can therefore be included in the rate term in Equation 3-16. The reference rate is temperature dependent (and dependent on chemical composition and grain size, in the original Kirkaldy–Venugopalan formulation). At a fixed temperature, t1 is the time to reach the destination phase fraction (or alternatively, to reach the relative phase fraction X1), see Figure 3-3. This is expressed as
(3-17)
(3-18)
Figure 3-3: Constant phase fraction curve in a TTT diagram
Using Equation 3-16, the rate coefficient is expressed as
(3-19)
Note that if the retardation coefficient Cr is known, the integral can be computed a priori for a fixed X1. The rate coefficient is therefore inversely proportional to the time it takes to reach the relative phase fraction X1.
The Koistinen–Marburger Model
This phase transformation model was developed by Koistinen and Marburger (Ref. 2) to model the diffusionless (displacive) austenite-martensite transformation in iron-carbon alloys and carbon steels. The onset of the transformation, which only occurs on cooling, is characterized by a critical start temperature — the martensite start temperature Ms. Above this temperature, no transformation from austenite (the source phase) to martensite (the destination phase) occurs. Below Ms, the amount of formed martensite is proportional to the undercooling below Ms, given by Ms − T. On rate form, the Koistinen–Marburger equation can be written
(3-20)
where β is the Koistinen–Marburger coefficient. Note that the transformation of austenite into martensite only occurs below Ms and only during cooling (that is, when ). To make the onset of martensitic transformation numerically smooth, a parameter ΔMs is used. The smoothing parameter defines a smoothed Heaviside function that makes the onset of martensitic transformation gradual. The parameter should be chosen small enough that the start temperature characteristic is retained. Assuming a constant cooling rate and that the phase fraction of austenite at Ms is , the rate equation can be integrated to
(3-21)
This integrated form is commonly found in the literature. The rate form of Equation 3-20 is more general, and from a computational standpoint it is more suitable for implementation. The rate form is therefore used in the phase transformation interfaces.
User defined
Using this option, other types of phase transformations can be defined. A user-defined phase transformation assumes that a source phase decomposes into a destination phase according to Equation 3-1.