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Microstructure based Modeling of Metallic Materials

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A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: closed (31 January 2018) | Viewed by 55545

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Prof. Dr. Veera Sundararaghavan

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Department of Aerospace Engineering, University of Michigan, 1221 Beal Avenue, Ann Arbor, MI 48109-2102, USA
Interests: integrated computational materials engineering; materials-by-design; computational mechanics; crystal plasticity; atomistic simulations; materials informatics and high performance computing
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Dr. Ali Ramazani

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Department of Mechanical Engineering, Massachusetts Institute of Technology (MIT), Cambridge, MA, USA
Interests: nanomaterials; interfaces; thermoelectrics; photovoltaics; phonovoltaics; multiscale modeling of materials; ML
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue aims to consider integrated computational materials engineering (ICME) research focusing on the influence of microstructural characteristics on properties of metallic materials. For this purpose, the Special Issue covers all microstructure-based material processing models, evolution of microstructures, precipitation, and defect formation in casting, powder processing, semi-solid and solid state processing including thermomechanical processing and additive manufacturing. Additionally, it focuses on development of micromechanical models, taking into account various approaches, such as dislocations dynamics and crystal plasticity, to study the local mechanical properties, as well as damage initiation and propagation at the micro-scale.

Dr. Ali Ramazani

Prof. Veera Sundararaghavan

Guest Editors

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Keywords

Computational thermodynamics
Crystal plasticity
Micromechanical modeling
Phase field modeling
Discrete models
Local properties prediction towards tailored properties

Published Papers (11 papers)

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Research

14 pages, 5064 KiB

Open AccessArticle

Evaluation of the Aging Effect on the Microstructure of Co-28Cr-6Mo-0.3C Alloy: Experimental Characterization and Computational Thermodynamics

by Shahab Zangeneh, Ersoy Erisir, Mahmoud Abbasi and Ali Ramazani

Metals 2019, 9(5), 581; https://doi.org/10.3390/met9050581 - 19 May 2019

Cited by 4 | Viewed by 2364

Abstract

In the current research, we studied the role of the solution treatment and aging on the microstructure of a Co–28Cr–5Mo–0.3C alloy. We used metallographic observations, scanning electron microscopy (SEM), and hardness measurements for the evaluations. We also made a comparison between the phase equilibrium calculated with Thermo-Calc, using TCFE8 and TCNI8 thermodynamic databases and experimental findings. The experimental results showed that the transformation of the metastable FCC phase to the HCP phase during aging was extremely sensitive to the solution treatment prior to aging. The effect of the increase in the solution temperature and time was detectable through promotion of the martensitic transformation during quenching in which HCP₁ (straight bands) and HCP₂ (lamellar-type constitution) phases had developed. In contrast, a low solution temperature and time caused most of the primary carbides to remain in an undissolved condition in the matrix; therefore, during aging, no sign of the FCC to HCP₁ (straight bands) phase transformation could be observed. However, we observed the formation of the HCP₂ phase (lamellar-type constitution) at the grain boundaries. In addition, the X-ray diffraction pattern indicated that the sample solution treated at lower temperatures and shorter times had a stronger martensitic transformation during aging compared to the sample solution treated at higher temperatures and longer times. Hardness measurements confirmed the results. Thermodynamical calculations showed that an agreement existed between the experiments and calculations. We also discuss the results from the TCFE8 and TCNI8 databases. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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17 pages, 7143 KiB

Open AccessArticle

Experimental and Numerical Investigations into the Failure Mechanisms of TRIP700 Steel Sheets

by Niloufar Habibi, Veera Sundararaghavan, Ulrich Prahl and Ali Ramazani

Metals 2018, 8(12), 1073; https://doi.org/10.3390/met8121073 - 17 Dec 2018

Cited by 10 | Viewed by 3627

Abstract

The formability and failure behavior of transformation-induced plasticity (TRIP) steel blanks were investigated through various stress states. The forming limit diagram (FLD) at fracture was constructed both experimentally and numerically. Numerical studies were performed to evaluate the applicability of different damage criteria in predicting the FLD as well as complex cross-die deep drawing process. The fracture surface and numerical results reveal that the material failed in a different mode for different strain path. Therefore, the Tresca model, which is based on shear stress, accurately predicted the conditions where shear had a profound effect on the damage initiation, whereas Situ localized necking criterion could calculate the conditions in which localization was dominant. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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15 pages, 4127 KiB

Open AccessArticle

Metastable Eutectoid Transformation in Spheroidal Graphite Cast Iron: Modeling and Validation

by Fernando D. Carazo, Laura N. García and Diego J. Celentano

Metals 2018, 8(7), 550; https://doi.org/10.3390/met8070550 - 18 Jul 2018

Cited by 3 | Viewed by 3548

Abstract

This paper presents a new microstructural model of the metastable eutectoid transformation in spheroidal graphite cast irons. The model takes into account the nucleation and growth of pearlite nodules. The nucleation is assumed to be continuous and dependent on the metastable undercooling associated with the upper limit of the three-phase field, while the growth rate is considered to be ruled by the silicon partitioning between ferrite and cementite at the pearlite/austenite front. The initial conditions for the metastable transformation are obtained from a microstructural simulation of solidification, graphite growth, and stable eutectoid transformation. These microstructural models are coupled with the thermal balance solved at a macroscopic level via the finite element method. The experimental validation of the metastable eutectoid model achieved by comparison with measured values of ferrite, graphite, and pearlite fractions at the end of the cooling process demonstrates the sound predictive capabilities of the proposed model. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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13 pages, 10433 KiB

Open AccessArticle

Thermodynamic Alloy Design of High Strength and Toughness in 300 mm Thick Pressure Vessel Wall of 1.25Cr-0.5Mo Steel

by Hye-sung Na, Byung-hoon Kim, Sang-hoon Lee and Chung-yun Kang

Metals 2018, 8(1), 70; https://doi.org/10.3390/met8010070 - 19 Jan 2018

Cited by 8 | Viewed by 4860

Abstract

In the 21st century, there is an increasing need for high-capacity, high-efficiency, and environmentally friendly power generation systems. The environmentally friendly integrated gasification combined-cycle (IGCC) technology has received particular attention. IGCC pressure vessels require a high-temperature strength and creep strength exceeding those of existing pressure vessels because the operating temperature of the reactor is increased for improved capacity and efficiency. Therefore, high-pressure vessels with thicker walls than those in existing pressure vessels (≤200 mm) must be designed. The primary focus of this research is the development of an IGCC pressure vessel with a fully bainitic structure in the middle portion of the 300 mm thick Cr-Mo steel walls. For this purpose, the effects of the alloy content and cooling rates on the ferrite precipitation and phase transformation behaviors were investigated using JMatPro modeling and thermodynamic calculation; the results were then optimized. Candidate alloys from the simulated results were tested experimentally. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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12348 KiB

Open AccessArticle

Effects of Short-Range Order on the Magnetic and Mechanical Properties of FeCoNi(AlSi)_x High Entropy Alloys

by Wenqiang Feng, Yang Qi and Shaoqing Wang

Metals 2017, 7(11), 482; https://doi.org/10.3390/met7110482 - 06 Nov 2017

Cited by 55 | Viewed by 7207

Abstract

The properties of a material are sensitive to chemically-ordered structure in multi-element alloys. Understanding the effects of chemical short-range order (SRO) on magnetic and mechanical properties is important. In this work, we use the Monte Carlo method in combination with density functional theory to investigate atomic nearest neighbor distribution, magnetic moment and elastic modulus in FeCoNi (AlSi)_x alloys. It is found that the prominent feature of the FeCoNi (AlSi)_x alloys is the change of SRO parameters: the SRO parameters are positive between Al-Al, Al-Si, Si-Si pairs and negative between Ni-Al, Co-Si, Fe-Co, Ni-Si and Fe-Si pairs. The Al and Si elements tend to bond with Fe, Co, Ni elements to form an SRO structure. The change of the atomic nearest neighbor environment leads to a reduction in the atomic magnetic moments of magnetic elements. The calculated saturation magnetizations by considering the effect of SRO are in good accord with the experimental values. We further show that SRO leads to an increase of the elastic modulus, by sacrificing ductility and isotropy. In the study of the structure and properties of high entropy alloys, the effect of SRO should not be ignored. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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4182 KiB

Open AccessFeature PaperArticle

Crystal Plasticity Modeling and Experimental Validation with an Orientation Distribution Function for Ti-7Al Alloy

by Pınar Acar, Ali Ramazani and Veera Sundararaghavan

Metals 2017, 7(11), 459; https://doi.org/10.3390/met7110459 - 28 Oct 2017

Cited by 31 | Viewed by 4907

Abstract

An orientation distribution function based model is used for micromechanical modeling of the titanium-aluminum alloys, Ti-0 wt % Al and Ti-7 wt % Al, which are in demand for many aerospace applications. This probability descriptor based modeling approach is different than crystal plasticity finite element techniques since it computes the averaged material properties using upper bound averaging. A rate-independent single-crystal plasticity model is implemented to compute the effect of macroscopic strain on the polycrystal. An optimization problem is defined for calibrating the basal, prismatic, pyramidal slip system and twin parameters using the available tension and compression experimental data. The crystal plasticity parameters of Ti-7 wt % Al are not studied extensively in literature, and therefore the optimization results for the crystal plasticity model realization produce unique data, which will be beneficial to future studies in the field. The sensitivities of the slip and twin parameters to the design objectives are also investigated to identify the most critical slip system parameters. Using the optimum design parameters, the microstructural textures, during the tension test, are predicted by the crystal plasticity finite element simulations, and compared to the available experimental texture and scanning electron microscope—digital image correlation data. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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6365 KiB

Open AccessArticle

Isothermal Austenite–Ferrite Phase Transformations and Microstructural Evolution during Annealing in Super Duplex Stainless Steels

by Andrea Francesco Ciuffini, Silvia Barella, Cosmo Di Cecca, Andrea Gruttadauria, Carlo Mapelli and Davide Mombelli

Metals 2017, 7(9), 368; https://doi.org/10.3390/met7090368 - 14 Sep 2017

Cited by 24 | Viewed by 5475

Abstract

Super Duplex Stainless Steels (SDSSs) are composed of α-ferrite and γ-austenite grains, the simultaneous presence of which forms an optimal microstructure to achieve the best combination of mechanical and corrosion resistance properties. Moreover, international quality standards are strict about the phase fraction ratio. The purpose of this work is the achievement of a better description of the phase ratio evolution taking place during annealing at 1080 °C in the super duplex stainless steels F53–S32750 and F55–S32760. The experimental results show a damped sinusoidal trend in the α/γ phase ratio evolution with the increase of the soaking time of thermal treatment. This can be described by coupling both the competitive coarsening growth regime and the concept of the local equilibrium phase transformations, pointing out a good correspondence with the experimental data. Further, recrystallization phenomena also play a major role. Finally, the additivity character of the observed processes has been proven. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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Graphical abstract

1218 KiB

Open AccessArticle

A Hybrid Multi-Scale Model of Crystal Plasticity for Handling Stress Concentrations

by Shang Sun, Ali Ramazani and Veera Sundararaghavan

Metals 2017, 7(9), 345; https://doi.org/10.3390/met7090345 - 04 Sep 2017

Cited by 2 | Viewed by 3952

Abstract

Microstructural effects become important at regions of stress concentrators such as notches, cracks and contact surfaces. A multiscale model is presented that efficiently captures microstructural details at such critical regions. The approach is based on a multiresolution mesh that includes an explicit microstructure representation at critical regions where stresses are localized. At regions farther away from the stress concentration, a reduced order model that statistically captures the effect of the microstructure is employed. The statistical model is based on a finite element representation of the orientation distribution function (ODF). As an illustrative example, we have applied the multiscaling method to compute the stress intensity factor

K_{I}

around the crack tip in a wedge-opening load specimen. The approach is verified with an analytical solution within linear elasticity approximation and is then extended to allow modeling of microstructural effects on crack tip plasticity. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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4010 KiB

Open AccessArticle

Low Cycle Fatigue Behaviour of DP Steels: Micromechanical Modelling vs. Validation

by Ghazal Moeini, Ali Ramazani, Sebastian Myslicki, Veera Sundararaghavan and Carsten Könke

Metals 2017, 7(7), 265; https://doi.org/10.3390/met7070265 - 11 Jul 2017

Cited by 9 | Viewed by 6260

Abstract

This study aims to simulate the stabilised stress-strain hysteresis loop of dual phase (DP) steel using micromechanical modelling. For this purpose, the investigation was conducted both experimentally and numerically. In the experimental part, the microstructure characterisation, monotonic tensile tests and low cycle fatigue tests were performed. In the numerical part, the representative volume element (RVE) was employed to study the effect of the DP steel microstructure of the low cycle fatigue behavior of DP steel. A dislocation-density based model was utilised to identify the tensile behavior of ferrite and martensite. Then, by establishing a correlation between the monotonic and cyclic behavior of ferrite and martensite phases, the cyclic deformation properties of single phases were estimated. Accordingly, Chaboche kinematic hardening parameters were identified from the predicted cyclic curve of individual phases in DP steel. Finally, the predicted hysteresis loop from low cycle fatigue modelling was in very good agreement with the experimental one. The stabilised hysteresis loop of DP steel can be successfully predicted using the developed approach. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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4600 KiB

Open AccessArticle

A Phase Field Model for Rate-Dependent Ductile Fracture

by Hojjat Badnava, Elahe Etemadi and Mohammed A. Msekh

Metals 2017, 7(5), 180; https://doi.org/10.3390/met7050180 - 17 May 2017

Cited by 27 | Viewed by 7692

Abstract

In this study, a phase field viscoplastic model is proposed to model the influence of the loading rate on the ductile fracture, as one of the main causes of metallic alloys’ failure. To this aim, the effects of the phase field are incorporated in the Peric’s viscoplastic model; the model can efficiently be converted to a standard rate-independent model. The novel aspects of this work include: Describing a coupling between rate-dependent plasticity and phase field formulation by defining an energy function that contains the energy dissipation caused by plastic deformation as well as the fracture process and elastic energy. In addition, the equations required to develop the numerical solution are presented. The governing equations are determined by a minimization principle that results in balance laws for the coupled displacement-phase field problem. Furthermore, an implicit integration algorithm for a viscoplasticity model coupled with a phase field is presented for a three-dimensional stress state. The proposed algorithm can be utilized for different constitutive models of rate-dependent and rate-independent plasticity models coupled with fracture by changing the definition of the plastic multiplier. In addition, to control the influence of the plastic deformation and its work on the crack propagation, a threshold variable is defined in the model. Finally, using the proposed model, the influence of the loading rate on the responses of the different specimens in one-dimensional and multi-dimensional cases is investigated and the accuracy of the results was verified by comparing them with existing experimental and numerical results. The obtained result proves that the model can simulate the impact of the loading rate on the material response, and the gradual change of the fracture phase from ductile to brittle, caused by increasing the loading rate. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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7146 KiB

Open AccessArticle

Grain Refinement Mechanism of the As-Cast and As-Extruded Mg–14Li Alloys with Al or Sn Addition

by Ying Zeng, Bin Jiang, Ruihong Li, Hengmei Yin and Salih Al-Ezzi

Metals 2017, 7(5), 172; https://doi.org/10.3390/met7050172 - 13 May 2017

Cited by 11 | Viewed by 4757

Abstract

The microstructures of the as-cast and as-extruded Mg–14 wt. % Li–1 wt. % Al (LA141) and Mg–14 wt. % Li–2 wt. % Sn (LT142) were observed by optical and scanning electron microscope (SEM), X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The effects of Al and Sn on the grain refinement on the Mg–14Li alloy were investigated. In addition, the mechanism of grain refinement on the as-cast and as-extruded alloys was discussed from the view of the solute effect and heterogeneous nucleation effect via edge-to-edge matching model. The results showed that the average grain sizes of the as-cast LA141 and LT142 alloys were similar due to the close solute effect of 1.1 wt. % Al and 1.8 wt. % Sn, while, in the as-extruded alloys, the average grain size of LT142 was over two times finer than that of LA141. This was attributed to the reason that Li₂MgSn particles can serve as heterogeneous nucleation sites for the β-Li matrix during the process of dynamic recrystallization (DRX), but LiMgAl₂ cannot serve the same way. Therefore, Sn can act as a more effective grain refiner for the Mg–14Li alloy compared to Al. Full article

(This article belongs to the Special Issue Microstructure based Modeling of Metallic Materials)

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