Modeling of heat flow and diffusion during phase transformation by hybrid LBM and CA model

2020 ◽  
Author(s):  
Łukasz Łach ◽  
Dmytro Svyetlichnyy
2020 ◽  
Vol 37 (8) ◽  
pp. 2761-2783
Author(s):  
Łukasz Łach ◽  
Dmytro Svyetlichnyy

Purpose Some functional properties of engineering materials, i.e. physical, mechanical and thermal ones, depend directly on the microstructure, which is a result of processes occurring in the material during the forming and thermomechanical processing. The proper microstructure can be obtained in many cases by the phase transformation. This phenomenon is one of the most important processes during hot forming and heat treatment. The purpose of this paper is to develop a new comprehensive hybrid model for modeling diffusion phase transformations. A problem has been divided into several tasks and is carried out on several stages. The purpose of this stage is a development of the structure of a hybrid model, development of an algorithm used in the diffusion module and one-dimensional heat flow and diffusion modeling. Generally, the processes of phase transformations are studied well enough but there are not many tools for their complex simulations. The problems of phase transformation simulation are related to the proper consideration of diffusion, movement of phase boundaries and kinetics of transformation. The proposed new model at the final stage of development will take into account the varying grain growth rate, different shape of growing grains and will allow for proper modeling of heat flow and carbon diffusion during the transformation in many processes, where heating, annealing and cooling can be considered (e.g. homogenizing and normalizing). Design/methodology/approach One of the most suitable methods for modeling of microstructure evolution during the phase transformation is cellular automata (CA), while lattice Boltzmann method (LBM) suits for modeling of diffusion and heat flow. Then, the proposed new hybrid model is based on CA and LBM methods and uses high performing parallel computations. Findings The first simulation results obtained for one-dimensional modeling confirm the correctness of interaction between LBM and CA in common numerical solution and the possibility of using these methods for modeling of phase transformations. The advantages of the LBM method can be used for the simulation of heat flow and diffusion during the transformation taking into account the results obtained from the simulations. LBM creates completely new possibilities for modeling of phase transformations in combination with CA. Practical implications The studies are focused on diffusion phase transformations in solid state in condition of low cooling rate (e.g. transformation of austenite into ferrite and pearlite) and during the heating and annealing (e.g. transformation of the ferrite-pearlite structure into austenite, the alignment of carbon concentration in austenite and growth of austenite grains) in carbon steels within a wide range of carbon content. The paper presents the comprehensive modeling system, which can operate with the technological processes with phase transformation during heating, annealing or cooling. Originality/value A brief review of the modeling of phase transformations and a description of the structure of a new CA and LBM hybrid model and its modules are presented in the paper. In the first stage of model implementation, the one-dimensional LBM model of diffusion and heat flow was developed. The examples of simulation results for several variants of modeling with different boundary conditions are shown.


2018 ◽  
Vol 240 ◽  
pp. 01020
Author(s):  
Łukasz Łach ◽  
Robert Straka ◽  
Dmytro Svyetlichnyy

In heat treatment of materials, the phase transformation is an important phenomenon, which determines the final microstructure. The microstructure of different materials described by such parameters as morphology, grain size, phase fraction and their spatial distribution, largely effects on the mechanical and functional properties of final products. The subject of the work is a development of a hybrid model based on CA and Lattice Boltzmann method (LBM) for modeling of the diffusion phase transformation. The model has a modular structure and simulates three basic phenomena: diffusion, heat flow and phase transformation. The objective of the paper is a presentation of module of the hybrid model for simulation of heat flow with considering of enthalpy of transformation. This is one of the stages in the development of the model and obtained results will be used in a combined solution of heat transfer and diffusion during the modeling of diffusion phase transformations. Lately, the model will be extended to three dimensions and will use hybrid computational systems (CPU and GPU). CA and LBM are used in the model as follows. LBM is used for modeling of heat flow, while CA is used for modeling of microstructure evolution during the phase transformation. The main factors considered in the model are the enthalpy of transformation and heat transfer. The paper presents the results of the modeling of the new phase growth determined by different values of overcooling affecting on different values in the enthalpy of transformation. The heat flow is simulated and the results for some modeling variants are shown. Examples of simulation results obtained from the modeling are presented in the form of images, which present the growth of new phase and temperature distributions.


2006 ◽  
Vol 39 (6) ◽  
pp. 850-855 ◽  
Author(s):  
E. MacA. Gray ◽  
D. J. Cookson ◽  
T. P. Blach

A pressure cell designed for high-energy X-ray diffraction in transmission mode is described. The cell is intended for use at temperatures up to 573 K with samples that are large enough to permit the real-time determination of the amount of absorbed gas by measuring the gas pressure. The design is driven by the need to ensure that the sample temperature is constant and uniform, despite the heat flow accompanying the reaction between the gas and the sample. The use of the cell is illustrated by its application to elucidating the hydriding phase transformation in the LaNi5–H2system.


2020 ◽  
Vol 1000 ◽  
pp. 428-435
Author(s):  
Eung Ryul Baek ◽  
Ghozali Suprobo

Microstructural design is generally applied to improve the mechanical property of titanium alloy by introducing different phase transformations and thermomechanical treatments. Aside from the martensitic and diffusion transformation, the occurrence of massive transformation occurs in Ti alloy. Massive transformation is categorized as civilian phase transformation, which resulted in the change of crystal structure of an alloy with a given composition without changing the chemical composition of its initial phase. It happened when the body centered-cubic β phase changed into hexagonal closed-pack α phase without decomposing into α+β. Massive transformation involves a diffusion and growth mechanism in a short-range and generally occurs during the introduction of high cooling rates to restrict the full diffusion mechanism. Owing to the nature of a rapid cooling rate as a requirement for massive transformation, the massive phase is normally found together with the product of martensitic transformation. On the other hand, the product of massive transformation is observed as a blocky grain with a featureless characteristic using optical microscopy and. Phase identification using electron backscattered diffraction shows that the region of αm shows only the presence of the α phase. It was reported for containing a high dislocation density similar to martensitic transformation. Specifically, in Ti alloy, the higher magnification using scanning electron microscopy shows fine sub-lamellar morphology, which observed as a combination product morphology between martensitic and diffusion transformation. It resulted in the mechanical property of the massive phase is between those two morphologies. Hence, it brings a new perspective on designing the microstructure of Ti alloy, which can be used to improve the mechanical property of Ti alloy.


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