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Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys
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Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Metals and Alloys".

Deadline for manuscript submissions: closed (20 November 2023) | Viewed by 4274

Special Issue Editors

Dr. Qingyu Zhang

E-Mail Website
Guest Editor
Shagang School of Iron and Steel, Soochow University, Suzhou 215137, China
Interests: simulation and prediction of material microstructure and properties; study on surface properties and wetability of nanometer functional materials; multiphase flow systems and heat transfer phenomena; metal additive manufacturing and welding solidification microstructure simulation
Dr. Mengdan Hu

E-Mail Website
Guest Editor Assistant
School of Materials Science and Engineering, Southeast University, Nanjing 211189, China
Interests: numerical modeling; metallic and transpanrent alloys; solidification microstructure; dendrite; eutectic; microporosity defect formation; fluid flow; dendritic competitive growth; thermodynamic calculation; observation experiment

Special Issue Information

Dear Colleagues,

Metallic alloys such as castings of aluminum alloys are widely used in aerospace and automobile industries as well as civil engineering applications due to their desirable strength-to-weight ratio, good resistance to corrosion, and relatively low raw material cost. However, solidification microstructures and microporosity defects are important factors impacting the mechanical properties of materials.

The evolution and formation of microporosity defects are strongly associated with the evolution of dendritic/eutectic growth during alloy solidification. Understanding bubble evolution during solidification can help in obtaining the desired microstructure and, hence, high-quality castings.

The aim of this Special Issue is to publish papers that improve our understanding of the mechanism of solidification microstructure evolution and microporosity formation, as well as those intensively investigating their interaction utilizing numerical simulations and in situ observation experiments of directional solidification in This topic has important academic and practical significance for improving the understanding of the underlying physics of solidification, guiding alloy design, optimizing process parameters, controlling microstructures and predicting microporosity defects.

Numerical simulations have yielded many important results in the study of solidification structure evolution and multiphase fluid flow, bridging the limitations of experimental and theoretical studies and providing an effective research approach for further investigation in the fields of solidification science and fluid flow by investigating phase-change kinetics, thermodynamic calculations, etc.

Dr. Qingyu Zhang
Dr. Mengdan Hu
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • numerical modeling and multiscale simulation
  • metallic materials
  • solidification microstructure
  • dendrite/eutectic
  • microporosity defect
  • thermodynamic calculations
  • experimental investigations

Published Papers (4 papers)

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Research

12 pages, 1843 KiB  
Article
Modeling Dendrite Coarsening and Remelting during Directional Solidification of Al-06wt.%Cu Alloy
by Ibrahim Sari, Nashmi Alrasheedi, Mahmoud Ahmadein, Joy Djuansjah, Lakhdar Hachani, Kader Zaidat, Menghuai Wu and Abdellah Kharicha
Materials 2024, 17(4), 912; https://doi.org/10.3390/ma17040912 - 16 Feb 2024
Cited by 1 | Viewed by 508
Abstract
Research efforts have been dedicated to predicting microstructural evolution during solidification processes. The main secondary arm spacing controls the mushy zone’s permeability. The aim of the current work was to build a simple sub-grid model that describes the growth and coarsening of secondary [...] Read more.
Research efforts have been dedicated to predicting microstructural evolution during solidification processes. The main secondary arm spacing controls the mushy zone’s permeability. The aim of the current work was to build a simple sub-grid model that describes the growth and coarsening of secondary side dendrite arms. The idea was to reduce the complexity of the curvature distribution with only two adjacent side arms in concurrence. The model was built and applied to the directional solidification of Al-06wt%Cu alloy in a Bridgman experiment. The model showed its effectiveness in predicting coarsening phenomena during the solidification of Al-06wt%Cu alloy. The results showed a rapid growth of both arms at an earlier stage of solidification, followed by the remelting of the smaller arm. In addition, the results are in good agreement with an available time-dependent expression which covers the growth and coarsening. Such model can be implemented as a sub-grid model in volume average models for the prediction of the evolution of the main secondary arms spacing during macroscopic solidification processes. Full article
(This article belongs to the Special Issue Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys)
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15 pages, 1448 KiB  
Article
Development of the RF-MEAM Interatomic Potential for the Fe-C System to Study the Temperature-Dependent Elastic Properties
by Sandesh Risal, Navdeep Singh, Andrew Ian Duff, Yan Yao, Li Sun, Samprash Risal and Weihang Zhu
Materials 2023, 16(10), 3779; https://doi.org/10.3390/ma16103779 - 17 May 2023
Cited by 1 | Viewed by 1296
Abstract
One of the major impediments to the computational investigation and design of complex alloys such as steel is the lack of effective and versatile interatomic potentials to perform large-scale calculations. In this study, we developed an RF-MEAM potential for the iron-carbon (Fe-C) system [...] Read more.
One of the major impediments to the computational investigation and design of complex alloys such as steel is the lack of effective and versatile interatomic potentials to perform large-scale calculations. In this study, we developed an RF-MEAM potential for the iron-carbon (Fe-C) system to predict the elastic properties at elevated temperatures. Several potentials were produced by fitting potential parameters to the various datasets containing forces, energies, and stress tensor data generated using density functional theory (DFT) calculations. The potentials were then evaluated using a two-step filter process. In the first step, the optimized RSME error function of the potential fitting code, MEAMfit, was used as the selection criterion. In the second step, molecular dynamics (MD) calculations were employed to calculate ground-state elastic properties of structures present in the training set of the data fitting process. The calculated single crystal and poly-crystalline elastic constants for various Fe-C structures were compared with the DFT and experimental results. The resulting best potential accurately predicted the ground state elastic properties of B1, cementite, and orthorhombic-Fe7C3 (O-Fe7C3), and also calculated the phonon spectra in good agreement with the DFT-calculated ones for cementite and O-Fe7C3. Furthermore, the potential was used to successfully predict the elastic properties of interstitial Fe-C alloys (FeC-0.2% and FeC-0.4%) and O-Fe7C3 at elevated temperatures. The results were in good agreement with the published literature. The successful prediction of elevated temperature properties of structures not included in data fitting validated the potential’s ability to model elevated-temperature elastic properties. Full article
(This article belongs to the Special Issue Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys)
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12 pages, 6122 KiB  
Article
Effect of Recrystallization Behavior of AZ31 Magnesium Alloy on Damping Capacity
by Kibeom Kim, Yebin Ji, Kwonhoo Kim and Minsoo Park
Materials 2023, 16(4), 1399; https://doi.org/10.3390/ma16041399 - 07 Feb 2023
Cited by 2 | Viewed by 915
Abstract
For a wide industrial application of magnesium alloys, a method for imparting high damping properties while maintaining mechanical properties is required. Controlling the crystallographic texture seems to be useful, because dislocations are known to have a significant influence on the damping characteristics of [...] Read more.
For a wide industrial application of magnesium alloys, a method for imparting high damping properties while maintaining mechanical properties is required. Controlling the crystallographic texture seems to be useful, because dislocations are known to have a significant influence on the damping characteristics of magnesium alloys. In addition, textures are affected by the microstructure and texture variation when the deformation or annealing is applied. However, there were less reports about their effect on damping capacity. Therefore, the effect of twinning and annealing, which can affect the recrystallization, were investigated in this study. An AZ31 alloy was hot rolled at 673 K with a reduction ratio of 10% and 50%, and then annealed at 673 K and 723 K for 0.5, 1, 2, and 3 h, respectively. SEM-EBSD was used to examine the microstructure and texture. In addition, each specimen’s hardness and internal friction were contemporarily measured. As a result, hot rolling produced tensile twins and their fraction increased with internal friction when the reduction ratio increased. Due to annealing, a discontinuous type of static recrystallization occurred within the twinning grains, and was highly activated along with the increasing annealing temperature and the fraction of twinning. In the samples annealed at 723 K, the internal friction continuously increased over the annealing time, whereas in the samples annealed at 673 K, the decrease in dislocation density was delayed while the internal friction showed a relatively low value. Full article
(This article belongs to the Special Issue Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys)
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12 pages, 13499 KiB  
Article
3D Modeling of the Solidification Structure Evolution and of the Inter Layer/Track Voids Formation in Metallic Alloys Processed by Powder Bed Fusion Additive Manufacturing
by Laurentiu Nastac
Materials 2022, 15(24), 8885; https://doi.org/10.3390/ma15248885 - 12 Dec 2022
Cited by 1 | Viewed by 1023
Abstract
A fully transient discrete-source 3D Additive Manufacturing (AM) process model was coupled with a 3D stochastic solidification structure model to simulate the grain structure evolution quickly and efficiently in metallic alloys processed through Electron Beam Powder Bed Fusion (EBPBF) and Laser Powder Bed [...] Read more.
A fully transient discrete-source 3D Additive Manufacturing (AM) process model was coupled with a 3D stochastic solidification structure model to simulate the grain structure evolution quickly and efficiently in metallic alloys processed through Electron Beam Powder Bed Fusion (EBPBF) and Laser Powder Bed Fusion (LPBF) processes. The stochastic model was adapted to rapid solidification conditions of multicomponent alloys processed via multi-layer multi-track AM processes. The capabilities of the coupled model include studying the effects of process parameters (power input, speed, beam shape) and part geometry on solidification conditions and their impact on the resulting solidification structure and on the formation of inter layer/track voids. The multi-scale model assumes that the complex combination of the crystallographic requirements, isomorphism, epitaxy, changing direction of the melt pool motion and thermal gradient direction will produce the observed texture and grain morphology. Thus, grain size, morphology, and crystallographic orientation can be assessed, and the model can assist in achieving better control of the solidification microstructures and to establish trends in the solidification behavior in AM components. The coupled model was previously validated against single-layer laser remelting IN625 experiments performed and analyzed at National Institute of Standards and Technology (NIST) using LPBF systems. In this study, the model was applied to predict the solidification structure and inter layer/track voids formation in IN718 alloys processed by LPBF processes. This 3D modeling approach can also be used to predict the solidification structure of Ti-based alloys processes by EBPBF. Full article
(This article belongs to the Special Issue Numerical Modeling of Heat Transfer and Microstructure Evolution of Alloys)
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