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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).

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.

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.

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.

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.

This paper aims to develop a numerical, micromechanical model to predict the evolution of autogenous shrinkage of hydrating cement paste at early age (up to 7 days). Autogeneous shrinkage can be important in high-performance concrete characterized by low water to cement (w/c) ratios. The occurrence of this phenomenon during the first few days of hardening may result in early-age cracking in concrete structures. A good prediction of autogeneous shrinkage is necessary to achieve better understanding of the mechanisms and the deployment of effective measures to prevent early-age cracking.

Three-dimensional digital microstructures from the hydration modelling platform μic of cement paste were used to simulate macroscopic autogenous shrinkage based on the mechanism of capillary tension. Elastic and creep properties of the digital microstructures were calculated by means of finite element (FE) method homogenization. Autogenous shrinkage was then estimated as the average hydrostatic strain resulting from the capillary stress that was globally applied on the simulated digital microstructures. For this estimation, two approaches of homogenization technique, i.e. analytical poro-elasticity and numerical creep-superposition were used.

The comparisons of between the simulated and experimentally measured deformations indicate that the creep-superposition approach is more reasonable to estimate shrinkage at different water to cement ratios. It was found that better estimations could be obtained at low degrees of hydration, by assuming a loosely packed calcium silicate hydrates (C-S-H) growing in the microstructures. The simulation results show how numerical models can be used to upscale from microscopic characteristics of phases to macroscopic composite properties such as elasticity, creep and shrinkage.

While the good predictions of some cement paste properties from the microstructure at early age were obtained, the current models have several limitations that are needed to overcome in the future. Firstly, the limitation of pore-structure representation is not only from lack understanding of C-S-H structure but also from the computational complexity. Secondly, the models do not consider early-age expansion that usually happens in practice and appears to be superimposed on an underlying shrinkage as observed in experiments. Thirdly, the simplified assumptions for mechanical simulation do not accurately reflect the solid–liquid interactions in the real partially saturated system, for example, the globally applying capillary stress on the boundary of the microstructure to find the effective deformation, neglecting water flow and the pore pressure. Last but not least, the models, due to the computational complexities, use many simplifications such as FE approximation, mechanical phase properties and creep statistical data.

This study holistically tackles the phenomenon of autogeneous shrinkage through microstructural modelling. In a first such attempt, the authors have used the same microstructural model to simulate the microstructural development, elastic properties, creep and autogeneous shrinkage. The task of putting these models together was not simple. The authors have successfully handled several problems at each step in an elegant manner. For example, although several earlier studies have pointed out that discrete models are unable to capture the late setting times of cements due to mesh effects, this study offers the most effective solution yet on the problem. It is also the first time that creep and shrinkage have been modelled on a young evolving microstructure that is subjected to a time variable load.

A fundamental principle of materials engineering is that the microstructure of a material controls the properties. The phase transformation is an important phenomenon that determines the final microstructure. Recently, many analytical and numerical methods were used for modeling of phase transformation, but some limitations can be seen in relation to the choice of the shape of growing grains, introduction of varying grain growth rate and modeling of diffusion phenomena. There are also only few comprehensive studies that combine the final microstructure with the actual conditions of its formation. Therefore, the objective of the work is a development of a new hybrid model based on lattice Boltzmann method (LBM) and cellular automata (CA) for modeling of the diffusional phase transformations. The model has a modular structure and simulates three basic phenomena: carbon diffusion, heat flow and phase transformation. The purpose of this study is to develop a model of heat flow with consideration of enthalpy of transformation as one of the most important parts of the proposed new hybrid model. This is one of the stages in the development of the complex model, and the obtained results will be used in a combined solution of heat flow and carbon diffusion during the modeling of diffusion phase transformations.

Different values of overheating/overcooling affect different values in the enthalpy of transformation and thus the rate of transformation. CA and LBM are used in the hybrid model in part related to heat flow. LBM is used for modeling of heat flow, while CA is used for modeling of the microstructure evolution during the phase transformation.

The use of LBM and CA in one numerical solution creates completely new possibilities for modeling of phase transformations. CA and LBM in comparison with commonly used approaches significantly simplify interface and interaction between different parts of the model, which operates in a common domain. The CA can be used practically for all possible processes that consist of nucleation and grains growth. The advantages of the LBM method can be well used for the simulation of heat flow during the transformation, which is confirmed by numerical results.

The developed heat flow model will be combined with the carbon diffusion model at the next stage of work, and the new complex hybrid model at the final stage will provide new solutions in numerical simulation of phase transformations and will allow comprehensive modeling of the diffusional phase transformations in many processes. Heating, annealing and cooling can be considered.

The paper presents the developed model of heat flow (temperature module), which is one of the main parts of the new hybrid model devoted to modeling of phase transformation. The model takes into account the enthalpy of transformation, and the connection with the model of microstructure evolution was obtained.

The effect of processing parameters on the microstructure of steel produced by laser-based powder bed fusion (LPBF) is a recognized opportunity for property design through microstructure control. Because the LPBF generates a textured microstructure associated with high anisotropy, it is of interest to determine the fabrication plane that would generate the desired property distribution within a component.

The microstructure of 316 L produced by LPBF was characterized experimentally (optical, scanning electron microscopy, glow discharge emission spectrometry and X-ray diffraction), and a finite element method was used to study the microstructure features of grain diameter, grain orientation and thermal parameters of cooling rate, thermal gradient and molten pool dimensions.

The computational tool of Ansys Additive was found efficient in reproducing the experimental effect of varying laser power, scanning speed and hatch spacing on the microstructure. In particular, the conditions for obtaining maximum densification and minimum fusion defects were consistent with the experiment, and the features of higher microhardness near the component’s surface and distribution of surface roughness were also reproduced.

To the best of the author’s knowledge, this paper is believed to be the first systematic attempt to use Ansys Additive to investigate the anisotropy of the 316 L SS produced by LPBF.

The purpose of this paper is to build a flow stress model and microstructure evolution models which can be used to fulfill the multi-physics prediction of hot forging process, in this way the process design can be virtually verified and optimized. This is especially crucial for micro-alloyed steel forging which microstructure determines the component properties, since the downstream quenching is usually not needed.

First, hot compression tests have been completed; second, experimental data are used to build the flow stress model and models for microstructure evolution; third, programming has been finished to integrate the proposed models into the commercial finite element method (FEM) code; fourth, case study is conducted to simulate multi-stage hot forging process of micro-alloyed steel F38MnV piston; and fifth, simulation results are validated by experiment.

First, simulation results in grain size and phase volume fraction are in well agreement with experimental ones; second, the austenite grain is dramatically refined by the dynamic recrystallization in pre-forging process and static recrystallization in the two intervals has no obvious change during the following final forging and cooling above the Ae3 temperature; third, during the cooling process below the Ae3 temperature, ferrite and pearlite transformation begin from the thin skirt to the thick skirt and piston bottom because of different cooling speeds at different areas.

First, flow stress model, dynamic recrystallization model, static recrystallization model, austenite grain growth model and phase transformation models are established for a micro-alloyed steel; second, the multi-physics FEM simulation of multi-stage hot forging of industrial piston has been conducted and verified by experiment, which show good agreement.

To provide a selective bibliography for researchers working with bulk material forming (specifically the forging, rolling, extrusion and drawing processes) with sources which can help them to be up‐to‐date.

A range of published (1996‐2005) works, which aims to provide theoretical as well as practical information on the material processing namely bulk material forming. Bulk deformation processes used in practice change the shape of the workpiece by plastic deformations under forces applied by tools and dies.

Provides information about each source, indicating what can be found there. Listed references contain journal papers, conference proceedings and theses/dissertations on the subject.

It is an exhaustive list of papers (1,693 references are listed) but some papers may be omitted. The emphasis is to present papers written in English language. Sheet material forming processes are not included.

A very useful source of information for theoretical and practical researchers in computational material forming as well as in academia or for those who have recently obtained a position in this field.

There are not many bibliographies published in this field of engineering. This paper offers help to experts and individuals interested in computational analyses and simulations of material forming processes.

The aim of this paper is to determine a parallel computational methodology for simultaneously predicting the macro/micro scale phenomena occurring during solidification processing with external electromagnetic stirring.

Macro and micro phenomena occurring in an electromagnetically‐stirred solidifying melt are simulated using a numerical model that integrates the finite element methodology for transport phenomena and the Monte‐Carlo cellular‐automata method for microstructure formation. Parallel algorithm is introduced to enhance the computational efficiency.

Computed results show that parallel algorithm can be effective in enhancing the computational efficiency of a combined macro/micro model if it is applied appropriately. Also, electromagnetically induced stirring can have a strong effect on the nucleation and grain growth and hence the final solidification microstructure.

This paper fulfils a need for developing an efficient numerical methodology to simulate complex electromagnetically‐assisted transport phenomena and microstructure formation during solidification processing systems.

Shape memory alloys are a fascinating class of materials because they combine both structural and functional properties. These properties strongly depend on temperature. One consequence of this dependency yields the characteristic shape‐memory effect: shape memory alloys can recover processed reference configurations after significant plastic deformations simply upon a change of temperature. For real materials, such processes incorporate characteristic hysteresis. This paper aims at an understanding of these materials from an atomistic point of view.

2D molecular‐dynamics (MD) simulations describing a chain consisting of 32 linked Lennard‐Jones crystals are presented. The crystals consist of nested lattices of two atom species. Distinct lattice structures can be identified, interpreted as austenite and (variants of) martensite. Temperature and/or load‐induced phase transitions between these configurations are observed in MD simulations. Previously, the thermal equation of state of one isolated crystal was investigated and its phase stability was discussed in detail. In the multi‐crystal chain considered in the present paper, individual crystals contribute collectively to the thermo‐mechanical behavior of the assembly.

The paper presents the results of numerical experiments with this polycrystalline chain under strain‐, load‐ and/or temperature‐control. The results show that with the assumption of simple Lennard‐Jones potentials of interaction between atoms in individual crystals and linking these crystals allows to reproduce the features associated with the fascinating behavior of shape memory alloys, including pseudo‐plasticity, pseudo‐elasticity and the shape memory effect.

Owing to the special setup chosen, interfaces are missing between adjacent crystals in the chain assembly. The paper shows that in this situation load‐induced austenite/martensite transitions do not exhibit hysteresis in tension/compression cycles. This observation indirectly supports mesoscopic‐level work in the literature which explicitly introduces interface energy to model such hysteresis.

The purpose of this paper is to describe finite element modelling for fracture and fatigue behaviour of zirconia toughened alumina microstructures.

A two‐dimensional finite element model is developed with an actual Al₂O₃‐10 vol% ZrO₂ microstructure. A bilinear, time‐independent cohesive zone law is implemented for describing fracture behaviour of grain boundaries. Simulation conditions are similar to those found at contact between a head and a cup of hip prosthesis. Residual stresses arisen from the mismatch of thermal coefficient between grains are determined. Then, effects of a micro‐void and contact stress magnitude are investigated with models containing residual stresses. For the purpose of simulating fatigue behaviour, cyclic loadings are applied to the models.

Results show that crack density is gradually increased with increasing magnitude of contact stress or number of fatigue cycles. It is also identified that a micro‐void brings about the increase of crack density rate.

This paper is the first step for predicting the lifetime of ceramic implants. The social implications would appear in the next few years about health issues.

This proposed finite element method allows describing fracture and fatigue behaviours of alumina‐zirconia microstructures for hip prosthesis, provided that a microstructure image is available.

Understanding and tailoring the solidification characteristics and microstructure evolution in as-built parts fabricated by laser powder bed fusion (LPBF) is crucial as they influence the final properties. Experimental approaches to address this issue are time and capital-intensive. This study aims to develop an efficient numerical modeling approach to develop the process–structure (P-S) linkage for LPBF-processed Inconel 718.

In this study, a numerical approach based on the finite element method and cellular automata was used to model the multilayer, multitrack LPBF build for predicting the solidification characteristics (thermal gradient G and solidification rate R) and the average grain size. Validations from published experimental studies were also carried out to ensure the reliability of the proposed numerical approach. Furthermore, microstructure simulations were used to develop P-S linkage by evaluating the effects of key LPBF process parameters on G × R, G/R and average grain size. A solidification or G-R map was also developed to comprehend the P-S linkage.

It was concluded from the developed G-R map that low laser power and high scan speed will result in a finer microstructure due to an increase in G × R, but due to a decrease in G/R, columnar characteristics are also reduced. Moreover, increasing the layer thickness and decreasing the hatch spacing lowers the G × R, raises the G/R and generates a coarse columnar microstructure.

The proposed numerical modeling approach was used to parametrically investigate the effect of LPBF parameters on the resulting microstructure. A G-R map was also developed that enables the tailoring of the as-built LPBF microstructure through solidification characteristics by tuning the process parameters.