Topic Editors

AMRC Castings, University of Sheffield, Advanced Manufacturing Park, Brunel Way, Rotherham S60 5WG, UK
Welding Engineering and Laser Processing Centre, School of Aerospace, Manufacturing and Transport, Cranfield University, Cranfield MK43 0AL, UK
Welding Engineering and Laser Processing Centre, School of Aerospace, Transport and Manufacturing, Cranfield University, Cranfield MK43 0AL, UK

Numerical Modeling on Metallic Materials

Abstract submission deadline
closed (31 October 2022)
Manuscript submission deadline
closed (31 December 2022)
Viewed by
38210

Topic Information

Dear Colleagues,

Numerical modeling and its application in materials research as well as engineering have been advanced for quite a few decades so far. The usage of various numerical modeling techniques is steadily increasing both in academia and industry, with greater maturity and a stronger impact. Nevertheless, it is also recognized that the awareness of the benefits that numerical modeling may bring should be adequately raised in line with its advantages as well as its limitations, particularly in comparison and conjunction with physically based trials and experimentation. The purpose of this Topic is to provide a collective platform for the appreciation of the current state of the art in the numerical modeling of metallic materials, in order to further promote interdisciplinary interaction and crossfertilization for the future development and application of numerical modeling techniques in materials science and engineering. Contributions are therefore cordially invited to this Special Issue from scientists, researchers and engineers, with topics covering, but not limited to, the following areas:

  • Ab initio calculations of alloy design and properties prediction
  • Multiscale and multiphysics modeling
  • AI and machine learning
  • Data mining and its application in metallic materials design and manufacturing
  • Materials constitutive modeling
  • Modeling and simulation of materials’ manufacturing processes
  • Solidification, deformation and phase transformation
  • Prediction of microstructure and properties
  • Plasticity and strain damage
  • Fatigue and fracture of metallic materials
  • Prediction and mitigation of residual stress and distortion
  • Numerical methods, software technology, verification/validation and standardization

Dr. Shuwen Wen
Dr. Yongle Sun
Dr. Xin Chen
Topic Editors

Keywords

  • numerical modeling
  • metallic materials
  • microstructure and properties
  • Ab initio calculation
  • molecular dynamics (MD)
  • finite element method (FEM)
  • computational fluid dynamics (CFD)
  • modeling and simulation
  • verification and validation
  • engineering
  • manufacturing processes
  • fatigue and fracture
  • service performance

Participating Journals

Journal Name Impact Factor CiteScore Launched Year First Decision (median) APC
Alloys
alloys
- - 2022 15.0 days * CHF 1000
Applied Sciences
applsci
2.7 4.5 2011 16.9 Days CHF 2400
Coatings
coatings
3.4 4.7 2011 13.8 Days CHF 2600
Journal of Manufacturing and Materials Processing
jmmp
3.2 5.5 2017 14.2 Days CHF 1800
Materials
materials
3.4 5.2 2008 13.9 Days CHF 2600
Metals
metals
2.9 4.4 2011 15 Days CHF 2600

* Median value for all MDPI journals in the second half of 2023.


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Published Papers (20 papers)

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20 pages, 24053 KiB  
Article
Buckling Analysis of Thin-Walled Circular Shells under Local Axial Compression using Vector Form Intrinsic Finite Element Method
by Wenliang Ma, Zihan Sun, Han Wu, Leige Xu, Yong Zeng, Yanxing Wang and Guangyin Huang
Metals 2023, 13(3), 564; https://doi.org/10.3390/met13030564 - 10 Mar 2023
Cited by 3 | Viewed by 1890
Abstract
The buckling failure of thin-walled circular shells under local axial compression is common in engineering. This study uses the vector form intrinsic finite element (VFIFE) method to investigate the buckling behavior of thin-walled circular shells under local axial compression by introducing a multilinear [...] Read more.
The buckling failure of thin-walled circular shells under local axial compression is common in engineering. This study uses the vector form intrinsic finite element (VFIFE) method to investigate the buckling behavior of thin-walled circular shells under local axial compression by introducing a multilinear hardening model, taking into account geometric and material nonlinearity. A buckling analysis program based on the VFIFE method was developed and verified by comparison with experimental results. The buckling mode and postbuckling behavior of thin-walled circular shells were studied by using the verified program. The results show that the VFIFE method with a multilinear hardening model can accurately calculate the buckling load of local axially compressed thin-walled circular shells, and effectively simulate the buckling development process, which offers great advantages in predicting the postbuckling of structures. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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19 pages, 10697 KiB  
Article
A Study of Aluminum Honeycomb Structures under Dynamic Loading, with Consideration Given to the Effects of Air Leakage
by Radosław Ciepielewski and Danuta Miedzińska
Materials 2023, 16(6), 2211; https://doi.org/10.3390/ma16062211 - 09 Mar 2023
Cited by 1 | Viewed by 1524
Abstract
Aluminum honeycomb structures are used in the construction of protective materials due to the positive relationship between their mass and their energy-absorbing properties. Applying such materials in the construction of large machinery, such as military vehicles, requires the development of a new method [...] Read more.
Aluminum honeycomb structures are used in the construction of protective materials due to the positive relationship between their mass and their energy-absorbing properties. Applying such materials in the construction of large machinery, such as military vehicles, requires the development of a new method of finite element modeling, one that considers conditions with high strain rates, because a material model is currently lacking in the available simulation software, including LS-DYNA. In the present study, we proposed and verified a method of numerically modeling honeycomb materials using a simplified Y element. Results with a good level of agreement between the full core model and the Y element were achieved. The obtained description of the material properties was used in the subsequent creation of a homogeneous model. In addition, we considered the influence of increases in pressure and the leakage of the air entrapped in the honeycomb cells. As a result, we were able to attain a high level of accuracy regarding the stress values across the entire range of progressive failure, from the loss of stability to full core densification, and across a wide range of strain rates. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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18 pages, 4783 KiB  
Article
Web Bend-Buckling of Steel Plate Girders Reinforced by Two Longitudinal Stiffeners with Various Cross-Section Shapes
by Yongli Peng, Zhengyi Kong, Ba Huu Dinh, Huu-Hue Nguyen, Truong-Son Cao, George Papazafeiropoulos and Quang-Viet Vu
Metals 2023, 13(2), 323; https://doi.org/10.3390/met13020323 - 05 Feb 2023
Cited by 2 | Viewed by 1890
Abstract
This work performs an investigation into the optimal position of two longitudinal stiffeners with different cross-section shapes such as open section (L-shaped and T-shaped) and closed section (rectangular and triangular shapes) shapes of stiffened plate girders under bending loading through an optimization procedure [...] Read more.
This work performs an investigation into the optimal position of two longitudinal stiffeners with different cross-section shapes such as open section (L-shaped and T-shaped) and closed section (rectangular and triangular shapes) shapes of stiffened plate girders under bending loading through an optimization procedure using a gradient-based interior point (IP) optimization algorithm. The stiffener optimum locations are found by maximizing the bend-buckling coefficient, kb, generated from eigenvalue buckling analyses in Abaqus. The optimization procedure efficiently combines the finite element method and the IP optimization algorithm and is implemented using the Abaqus2Matlab toolbox which allows for the transfer of data between Matlab and Abaqus and vice versa. It is found that the proposed methodology can lead to the optimum design of the steel plate girder for all stiffener cross-section types with an acceptable accuracy and a reduced computational effort. Based on the optimization results, the optimum positions of two longitudinal stiffeners with various cross-section shapes are presented for the first time. It is reported that the optimum locations of two longitudinal stiffeners with open cross-section shapes (T- and L-shaped) are similar to that of flat cross-section, while the optimum positions of two longitudinal stiffeners with closed cross-section types (rectangular and triangular sections) are slightly different. One of the main findings of this study is that the bend-buckling coefficient of the stiffened girder having stiffeners with triangular cross-section shape is highest while that with flat cross-section shape is lowest among all considered stiffener types and this latter case has minimum requirement regarding the web thickness. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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11 pages, 6973 KiB  
Article
Common Topological Features in Band Structure of RNiSb and RSb Compounds for R = Tb, Dy, Ho
by Semyon T. Baidak and Alexey V. Lukoyanov
Materials 2023, 16(1), 242; https://doi.org/10.3390/ma16010242 - 27 Dec 2022
Cited by 4 | Viewed by 1534
Abstract
The electronic and band structures of ternary RNiSb and binary RSb compounds for R = Tb, Dy, Ho, have been investigated using an ab initio method accounting for strong electron correlations in the 4f shell of the rare-earth metals. These ternary compounds are [...] Read more.
The electronic and band structures of ternary RNiSb and binary RSb compounds for R = Tb, Dy, Ho, have been investigated using an ab initio method accounting for strong electron correlations in the 4f shell of the rare-earth metals. These ternary compounds are found to be semiconductors with the indirect gap of 0.21, 0.21, and 0.26 eV for Tb, Dy, and Ho(NiSb), respectively. In contrast, in all binary RSb compounds, bands near the Fermi energy at the Г and X points are shifted relatively to RNiSb and form hole and electron pockets, so the energy gap is closed in RSb. The band structure typical for semimetals is formed in all RSb compounds for R = Tb, Dy, Ho. For the first time, we identify similar features near the Fermi level in the considered binary semimetals, namely, the presence of the hole and electron pockets in the vicinity of the Г and X points, the nonsymmetric electron pocket along Γ–X–W direction and hole pockets along the L–Γ–X direction, which were previously found experimentally in the other compound of this series GdSb. The magnetic moment of all considered compounds is fully determined by magnetic moments of the rare earth elements, the calculated effective magnetic moments of these ions have values close to the experimental values for all ternary compounds. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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18 pages, 6942 KiB  
Article
Effect of the Addition of Steel Fibers on the Bonding Interface and Tensile Properties of Explosion-Welded 2A12 Aluminum Alloy and SS-304 Steel
by Yao Chen, Yonghong Gao, Chuanxiang Guo, Yanping Guo, Zhijun Guo, Yingbin Liu and Tiansheng Liu
Materials 2023, 16(1), 116; https://doi.org/10.3390/ma16010116 - 22 Dec 2022
Cited by 1 | Viewed by 1054
Abstract
First of all, the explosion-welding method was adopted to prepare steel fiber-reinforced steel-aluminum composite plates. Secondly, the smooth particle hydrodynamic (SPH) method was used to investigate the effect of introducing steel fibers to a vortex region created at the bonding interface of the [...] Read more.
First of all, the explosion-welding method was adopted to prepare steel fiber-reinforced steel-aluminum composite plates. Secondly, the smooth particle hydrodynamic (SPH) method was used to investigate the effect of introducing steel fibers to a vortex region created at the bonding interface of the steel-aluminum composite plate. Thirdly, the following conclusions were drawn through an analysis of the vortex region with the assistance of scanning electron microscopy and energy-dispersive X-ray spectroscopy. A brittle intermetallic compound FeAl was produced in the vortex region in an environment characterized by high temperature, high pressure, and high strain rate, resulting in cracks, holes and pores. In addition, the hardness of the vortex area was less than the estimated value, which is mainly because the main element in the vortex area was 2A12 aluminum with low hardness, and there were cracks, holes, pores and other defects that caused hardness reduction. Although the addition of steel fibers caused defects at the bond interface, the addition of steel fibers was effective in improving the tensile resistance performance of steel-aluminum composite panels to a certain extent. In addition, the larger the fiber diameter, the more significant the increase in tensile resistance. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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15 pages, 4830 KiB  
Article
Influence of Mold Design on Shrinkage Porosity of Ti-6Al-4V Alloy Ingots
by Tongzheng He and Yuyong Chen
Metals 2022, 12(12), 2122; https://doi.org/10.3390/met12122122 - 09 Dec 2022
Cited by 2 | Viewed by 1469
Abstract
Mold design is one of the important ways to control shrinkage porosity. In this study, four mold forms with different tapers were first designed, the corresponding three-dimensional finite element models were built using the ProCAST software, and the influence of mold design on [...] Read more.
Mold design is one of the important ways to control shrinkage porosity. In this study, four mold forms with different tapers were first designed, the corresponding three-dimensional finite element models were built using the ProCAST software, and the influence of mold design on the filling and solidification processes of Ti-6Al-4V alloy was investigated. The results showed that the titanium alloy ingots exhibit typical characteristics of layer-by-layer solidification, and that the removal of the riser results in: (a) shortening the time it takes for molten metal to reach the bottom of the mold and the time needed to complete mold filling; (b) decreasing the maximum flow velocity and improving the filling stability; and (c) moving the shrinkage cavities up along the central axis of the ingot and decreasing the cavity volume. Meanwhile, it was also found that the shrinkage cavity volume decreases significantly with increasing mold taper, meaning a significant increase in ingot utilization rate. The shrinkage cavity formation mechanism was revealed through macrostructure analysis. During solidification, a grain frame is formed as a large number of equiaxed crystals intersect, thus creating an isolated liquid phase zone. When the liquid in this zone solidifies, the last zone to do so, its volume shrinkage cannot be compensated, thus leading to the formation of a shrinkage cavity. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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17 pages, 1064 KiB  
Article
An Improved Particle-Swarm-Optimization Algorithm for a Prediction Model of Steel Slab Temperature
by Ming Liu, Peng Yan, Pengbo Liu, Jinwei Qiao and Zhi Yang
Appl. Sci. 2022, 12(22), 11550; https://doi.org/10.3390/app122211550 - 14 Nov 2022
Cited by 2 | Viewed by 1098
Abstract
Aiming at the problem of the low accuracy of temperature prediction, a mathematical model for predicting the temperature of a steel billet is developed. For the process of temperature prediction, an improved particle-swarm-optimization algorithm (called XPSO) is developed. XPSO was designed based on [...] Read more.
Aiming at the problem of the low accuracy of temperature prediction, a mathematical model for predicting the temperature of a steel billet is developed. For the process of temperature prediction, an improved particle-swarm-optimization algorithm (called XPSO) is developed. XPSO was designed based on a multiple swarm scheme to improve the global search capability and robustness; thus, it can improve the low accuracy of prediction and overcome the problem of easy entrapment into local optima. In the XPSO, the multiple swarm scheme comprises four modified components: (1) the strategy of improving the positional initialization; (2) the mutation strategy for particle swarms; (3) the adjustment strategy of inertia weights; (4) the strategy of jumping out local optima. Based on widely used unimodal, multimodal and composite benchmark functions, the effectiveness of the XPSO algorithm was verified by comparing it with some popular variant PSO algorithms (PSO, IPSO, IPSO2, HPSO, CPSO). Then, the XPSO was applied to predict the temperatures of steel billets based on simulation data sets and measured data sets. Finally, the obtained results show that the XPSO is more accurate than other PSO algorithms and other optimization approaches (WOA, IA, GWO, DE, ABC) for temperature prediction of steel billets. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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12 pages, 9387 KiB  
Article
Atomic Diffusion and Crystal Structure Evolution at the Fe-Ti Interface: Molecular Dynamics Simulations
by Guojin Xiang, Xu Luo, Tianxu Cao, Ankang Zhang and Hui Yu
Materials 2022, 15(18), 6302; https://doi.org/10.3390/ma15186302 - 11 Sep 2022
Cited by 7 | Viewed by 1635
Abstract
The diffusion bonding method is one of the most essential manufacturing technologies for Ti-steel composite plates. In this paper, the atomic diffusion behavior at the Fe-Ti interface during the bonding process of Ti-steel composite plates is studied using classical diffusion theory and molecular [...] Read more.
The diffusion bonding method is one of the most essential manufacturing technologies for Ti-steel composite plates. In this paper, the atomic diffusion behavior at the Fe-Ti interface during the bonding process of Ti-steel composite plates is studied using classical diffusion theory and molecular dynamics (MD) simulation. Henceforth, the diffusion mechanism of Fe and Ti atoms at the bonding interface is obtained at the atomic scale. The results show that Fe and Ti atoms diffused deeply into each other during the diffusion process. This behavior consequently increased the thickness of the diffusion layer. Moreover, the diffusion quantity of Fe atoms to the Ti side was much greater than that of Ti atoms to the Fe side. Large plastic deformation and shear strain occurred at the diffusion interface during diffusion. The crystal structure of the diffusion zone was damaged and defects were generated, which was beneficial to the diffusion behavior of the interface atoms. As the diffusion time and temperature increased, the shear strain of the atoms at the interface also increased. Furthermore, there is a relationship between the mutual diffusion coefficient and the temperature. Subsequently, after the diffusion temperature was raised, the mutual diffusion coefficient and atomic disorder (Fe atom and Ti atom) increased accordingly. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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15 pages, 9392 KiB  
Article
Atomic Research on the Diffusion Behavior, Mechanical Properties and Fracture Mechanism of Fe/Cu Solid–Liquid Interface
by Hongyu Zheng, Jingwen Sun, Na Guo and Mingjie Wang
Coatings 2022, 12(9), 1299; https://doi.org/10.3390/coatings12091299 - 04 Sep 2022
Cited by 1 | Viewed by 1446
Abstract
A molecular dynamics simulation was applied to investigate the diffusion behavior and mechanical properties of a Fe/Cu solid–liquid interface with different orientations, temperatures, and strain rates. The results show that the displacement distance of Fe atoms’ diffusion into the Cu matrix was obviously [...] Read more.
A molecular dynamics simulation was applied to investigate the diffusion behavior and mechanical properties of a Fe/Cu solid–liquid interface with different orientations, temperatures, and strain rates. The results show that the displacement distance of Fe atoms’ diffusion into the Cu matrix was obviously larger than that of Cu atoms’ diffusion into the Fe matrix at any diffusion temperature and diffusion time. Moreover, the diffusion coefficient and diffusion distance both increase with temperature and time, and reach the highest value when the temperature and diffusion time are 1523 K and 3 ns, respectively. Additionally, the diffusion coefficients of the Fe atoms are arranged in the following order: Fe (100) < Fe (110) < Fe (111). The diffusion coefficients of the Cu atoms are arranged in the following order: Cu (110) > Cu (111) > Cu (100), when temperature and time are 1523 K and 3 ns, respectively. The yield strength and fracture strain of the bimetallic interface is positively correlated with the strain rate, but negatively correlated with the tensile temperature. Moreover, the yield strength of the three orientations can be arranged as follows: Fe (110)/Cu (110) > Fe (100)/Cu (100) > Fe (111)/Cu (111), and the yield strength and fracture strain of Fe (110)/Cu (110) diffusion interface are 12.1 GPa and 21% when the strain rate was 1 × 109/s and the tensile temperature was 300 K. The number of stacking faults and dislocations of the diffused Fe/Cu interface decreased significantly in comparison to the undiffused Fe/Cu interface, even in the length of Stair-rod dislocation and Shockley dislocation. All these results lead to a decrease in the tensile yield strength after interface diffusion. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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19 pages, 7911 KiB  
Article
A New Computational Method for Predicting Ductile Failure of 304L Stainless Steel
by Myung-Sung Kim, Hee-Tae Kim, Young-Hwan Choi, Jeong-Hyeon Kim, Seul-Kee Kim and Jae-Myung Lee
Metals 2022, 12(8), 1309; https://doi.org/10.3390/met12081309 - 04 Aug 2022
Cited by 10 | Viewed by 2592
Abstract
Austenitic stainless steel is useful for storing and transporting liquefied natural gas (LNG) at temperatures below −163 °C due to its superior low-temperature applications. This study develops a computational method for the failure prediction of 304L stainless steel sheet to utilize its usability [...] Read more.
Austenitic stainless steel is useful for storing and transporting liquefied natural gas (LNG) at temperatures below −163 °C due to its superior low-temperature applications. This study develops a computational method for the failure prediction of 304L stainless steel sheet to utilize its usability as a design code for industrial purposes. To consider material degradation in a phenomenological way during the numerical calculation, the combined Swift–Voce equation was adopted to describe the nonlinear constitutive behavior beyond ultimate tensile strength. Due to the stress state-dependent fracture characteristics of ductile metal, a modified Mohr–Coulomb fracture criterion was adopted using stress triaxiality and Lode angle parameter. The numerical formulation of the elastoplastic-damage coupled constitutive model with fracture locus was implemented in the ABAQUS user-defined subroutine UMAT. To identify the material and damage parameters of constitutive models, a series of material tests were conducted considering various stress states. It has been verified that the numerical simulation results obtained by the proposed failure prediction methodology show good agreement with the experimental results for plastic behavior and fractured configuration. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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18 pages, 8504 KiB  
Article
Microstructural Evolution in Large-Section Plastic Mould Steel during Multi-Directional Forging
by Xuan Chen, Boya Wu, Jiayuan Li, Xiaoxiao Zhang, Pengpeng Zuo, Xiaochun Wu and Junwan Li
Metals 2022, 12(7), 1175; https://doi.org/10.3390/met12071175 - 10 Jul 2022
Cited by 1 | Viewed by 1385
Abstract
To obtain excellent mechanical properties from large cross-sections of plastic mould steel (SDP1), we conducted multi-directional forging (MDF) to control the microstructure of ingots. To investigate the microstructural evolution of SDP1 steel during MDF, we performed hot forging at 1150 °C using a [...] Read more.
To obtain excellent mechanical properties from large cross-sections of plastic mould steel (SDP1), we conducted multi-directional forging (MDF) to control the microstructure of ingots. To investigate the microstructural evolution of SDP1 steel during MDF, we performed hot forging at 1150 °C using a THP01–500A hydraulic press. The dimensions of the specimens were Φ38 mm × 80 mm. The microstructure of the specimens after forging was observed under a metallographic microscope. Furthermore, the results of the finite element method (FEM) simulations were employed to improve the quality of the forgings. The predicted results agreed well with the experimental ones, indicating that FEM is effective for analysing microstructural evolution during MDF. Thus, MDF for large cross-sections of SDP1 steel (Φ1000 mm × 2200 mm) was simulated. The results showed that the average grain size of SDP1 steel at the core of an ingot after MDF ranged from 40.6 to 43.3 μm. Although this was slightly higher than the grain size of the sample after traditional upsetting and stretching forging (TUSF) (35.7–46.0 μm), the microstructure of the SDP1 steel sample after MDF was more uniform than that after TUSF. Compared with TUSF, MDF not only refines the grain size but also improves the microstructure uniformity of the sample. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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16 pages, 7482 KiB  
Article
Structure of Randomly Distributed Nanochain Aggregates on Silicon Substrates: Modeling and Optical Absorption Characteristics
by Tianze Zhao, Yanze Gao, Rui Shi, Zhuo Li and Qingfeng Shi
Materials 2022, 15(14), 4778; https://doi.org/10.3390/ma15144778 - 07 Jul 2022
Viewed by 1052
Abstract
Nanoparticle aggregate structures allow for efficient photon capture, and thus exhibit excellent optical absorption properties. In this study, a model of randomly distributed nanochain aggregates on silicon substrates is developed and analyzed. The Gaussian, uniform, and Cauchy spatial distribution functions are used to [...] Read more.
Nanoparticle aggregate structures allow for efficient photon capture, and thus exhibit excellent optical absorption properties. In this study, a model of randomly distributed nanochain aggregates on silicon substrates is developed and analyzed. The Gaussian, uniform, and Cauchy spatial distribution functions are used to characterize the aggregate forms of the nanochains and their morphologies are realistically reconstructed. The relationships between the structural parameters (thickness and filling factor), equivalent physical parameters (density, heat capacity, and thermal conductivity), and visible absorptivity of the structures are established and analyzed. All the above-mentioned parameters exhibit extreme values, which maximize the visible-range absorption; these values are determined by the material properties and nanochain aggregate structure. Finally, Al nanochain aggregate samples are fabricated on Si substrates by reducing the kinetic energy of the metal vapor during deposition. The spectral reflection characteristics of the samples are studied experimentally. The Spearman correlation coefficients for the calculated spectral absorption curves and those measured experimentally are higher than 0.82, thus confirming that the model is accurate. The relative errors between the calculated visible-range absorptivities and the measured data are less than 0.3%, further confirming the accuracy of the model. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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23 pages, 4302 KiB  
Article
Kinetic Model of Isothermal Bainitic Transformation of Low Carbon Steels under Ausforming Conditions
by Theerawat Kumnorkaew, Junhe Lian, Vitoon Uthaisangsuk and Wolfgang Bleck
Alloys 2022, 1(1), 93-115; https://doi.org/10.3390/alloys1010007 - 13 Jun 2022
Cited by 1 | Viewed by 2585
Abstract
Carbide-free bainitic steels show attractive mechanical properties but are difficult to process because of the sluggish phase transformation kinetics. A macroscopic model based on the classical nucleation theory in conjunction with the modified Koistinen–Marburger relationship is proposed in this study to simulate the [...] Read more.
Carbide-free bainitic steels show attractive mechanical properties but are difficult to process because of the sluggish phase transformation kinetics. A macroscopic model based on the classical nucleation theory in conjunction with the modified Koistinen–Marburger relationship is proposed in this study to simulate the kinetics of incomplete bainitic and martensitic phase transformations with and without austenite deformation. A 0.26C-1Si-1.5Mn-1Cr-1Ni-0.003B-0.03Ti steel and a 0.18C-1Si-2.5Mn-0.2Cr-0.2Ni-0.02B-0.03Ti steel were investigated with different levels of ausforming. The concept of ausforming is expected to accelerate the onset of the bainitic transformation and to enhance the thermodynamic stability of austenite by increased dislocation density. The phase transformation kinetics of both steels is quantitatively analyzed in the study by dilatometry and X-ray diffraction so that the carbon concentration in the retained austenite and bainitic ferrite, as well as their volume fractions, is determined. A critical comparison of the numerical and experimental data demonstrates that the isothermal kinetics of bainite formation and the variation of driving energy can be satisfactorily described by the developed model. This model captures the incompleteness of the bainite phase transformation and the carbon enrichment in the austenite well. A fitting parameter can be used to elucidate the initial energy barrier caused by the ausforming. An increase in austenite stability can be described by the nucleation reaction and the thermodynamic energies associated with the change of dislocation density. The proposed model provides an in-depth understanding of the effect of ausforming on the transformation kinetics under different low-carbon steels and is a potential tool for the future design of heat treatment processes and alloys. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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8 pages, 2348 KiB  
Communication
Potentials for Describing Interatomic Interactions in γFe-Mn-C-N System
by Bo Lv, Chen Chen, Fucheng Zhang, Gennady M. Poletaev and Roman Y. Rakitin
Metals 2022, 12(6), 982; https://doi.org/10.3390/met12060982 - 07 Jun 2022
Cited by 2 | Viewed by 1560
Abstract
Potentials for describing interatomic interactions in a γFe-Mn-C-N multicomponent system, modified Hadfield steel, where face-centered cubic (f.c.c.) iron is the main component, are proposed. To describe the Fe-Fe interactions in austenite, it is proposed to use Lau EAM potential. For all other interactions, [...] Read more.
Potentials for describing interatomic interactions in a γFe-Mn-C-N multicomponent system, modified Hadfield steel, where face-centered cubic (f.c.c.) iron is the main component, are proposed. To describe the Fe-Fe interactions in austenite, it is proposed to use Lau EAM potential. For all other interactions, Morse potentials are proposed, the parameters of which were found from various experimental characteristics: in particular, the energy of dissolution and migration of an impurity in an f.c.c. iron crystal, the radius of atoms, their electronegativity, mutual binding energy, etc. The found potentials are intended for modeling the atomic structures and processes occurring at the atomic level in Hadfield steel using relatively large computational cells by the molecular dynamics method. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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16 pages, 5463 KiB  
Article
Numerical Simulation Study of Expanding Fracture of 45 Steel Cylindrical Shell under Different Detonation Pressure
by Zhenwei Huang and Xinlu Yu
Materials 2022, 15(11), 3980; https://doi.org/10.3390/ma15113980 - 03 Jun 2022
Cited by 4 | Viewed by 1500
Abstract
Detonation and fragmentation of ductile cylindrical metal shells is a complicated physical phenomenon of material and structural fracture under a high strain rate and high-speed impact. In this article, the smoothed particle hydrodynamics (SPH) numerical model is adopted to study this problem. The [...] Read more.
Detonation and fragmentation of ductile cylindrical metal shells is a complicated physical phenomenon of material and structural fracture under a high strain rate and high-speed impact. In this article, the smoothed particle hydrodynamics (SPH) numerical model is adopted to study this problem. The model’s reliability is initially tested by comparing the simulation findings with experimental data, and it shows that different fracture modes of cylindrical shells can be obtained by using the same model with a unified constitutive model and failure parameters. By using this model to analyze the explosive fracture process of the cylindrical shells at various detonation pressures, it shows that when the detonation pressure decreases, the cylindrical metal shell fracture changes from a pure shear to tensile–shear mixed fracture. When the detonation pressure is above 31 GPA, a pure shear fracture appears in the shell during the loading stage of shell expansion, and the crack has an angle of 45° or 135° from the radial direction. When the pressure is reduced to 23 GPA, the fracture mode changes to tension–shear mixing, and the proportion of tensile cracks is about one-sixth of the shell fracture. With the explosion pressure reduced to 13 GPA, the proportion of tensile cracks is increased to about one-half of the shell fracture. Finally, the failure mechanism of the different fracture modes was analyzed under different detonation pressures by studying the stress and strain curves in the shells. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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16 pages, 4181 KiB  
Article
Modification of Precipitate Coarsening Kinetics by Intragranular Nanoparticles—A Phase Field Study
by Simbarashe Fashu, Binting Huang and Nan Wang
Metals 2022, 12(6), 892; https://doi.org/10.3390/met12060892 - 24 May 2022
Viewed by 1791
Abstract
Precipitate coarsening is a major mechanism responsible for the degradation in mechanical properties of many precipitation-hardened alloys at high temperatures. With recent developments in processing of nanocomposite materials, a substantial volume fraction of inert second phase ceramic nanoparticles can be introduced into the [...] Read more.
Precipitate coarsening is a major mechanism responsible for the degradation in mechanical properties of many precipitation-hardened alloys at high temperatures. With recent developments in processing of nanocomposite materials, a substantial volume fraction of inert second phase ceramic nanoparticles can be introduced into the grain interiors of polycrystalline materials. These intragranular nanoparticles can have synergistic effects of impeding dislocation motion and interacting with coarsening precipitates to modify the coarsening rate. In this work, the precipitate coarsening behavior of an alloy in the presence of intragranular inert nanoparticles was studied using the phase field method. Two key measurements of coarsening kinetics, precipitate size distribution and coarsening rate, were found to be affected by the volume fraction and the size of nanoparticles. Two novel mechanisms related to geometric constraints imposed by inter-nanoparticle distance and the blockage of solute diffusion path by nanoparticle–matrix interfaces were proposed to explain the observed changes in precipitate coarsening kinetics. The simulation results in general suggest that the use of small nanoparticles with large number density is effective in slowing down the coarsening kinetics. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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13 pages, 4660 KiB  
Article
Computational Design and Characterisation of Gyroid Structures with Different Gradient Functions for Porosity Adjustment
by Leonie Wallat, Patrick Altschuh, Martin Reder, Britta Nestler and Frank Poehler
Materials 2022, 15(10), 3730; https://doi.org/10.3390/ma15103730 - 23 May 2022
Cited by 9 | Viewed by 2931
Abstract
Triply periodic minimal surface (TPMS) structures have a very good lightweight potential, due to their surface-to-volume ratio, and thus are contents of various applications and research areas, such as tissue engineering, crash structures, or heat exchangers. While TPMS structures with a uniform porosity [...] Read more.
Triply periodic minimal surface (TPMS) structures have a very good lightweight potential, due to their surface-to-volume ratio, and thus are contents of various applications and research areas, such as tissue engineering, crash structures, or heat exchangers. While TPMS structures with a uniform porosity or a linear gradient have been considered in the literature, this paper focuses on the investigation of the mechanical properties of gyroid structures with non-linear porosity gradients. For the realisation of the different porosity gradients, an algorithm is introduced that allows the porosity to be adjusted by definable functions. A parametric study is performed on the resulting gyroid structures by performing mechanical simulations in the linear deformation regime. The transformation into dimensionless parameters enables material-independent statements, which is possible due to linearity. Thus, the effective elastic behaviour depends only on the structure geometry. As a result, by introducing non-linear gradient functions and varying the density of the structure over the entire volume, specific strengths can be generated in certain areas of interest. A computational design of porosity enables an accelerated application-specific structure development in the field of engineering. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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21 pages, 6249 KiB  
Article
The Mechanism of In-Situ Laser Polishing and Its Effect on the Surface Quality of Nickel-Based Alloy Fabricated by Selective Laser Melting
by Yanhua Zhao, Chuanbin Du, Peifu Wang, Wei Meng and Changming Li
Metals 2022, 12(5), 778; https://doi.org/10.3390/met12050778 - 30 Apr 2022
Cited by 6 | Viewed by 1768
Abstract
Laser polishing (LP) is an effective method to improve the surface quality of an additively manufactured nickel-based alloy. In this paper, the in-situ laser polishing (ILP) experiment is performed on the selective laser melting (SLM) IN718 samples. The white light interferometer is used [...] Read more.
Laser polishing (LP) is an effective method to improve the surface quality of an additively manufactured nickel-based alloy. In this paper, the in-situ laser polishing (ILP) experiment is performed on the selective laser melting (SLM) IN718 samples. The white light interferometer is used to test the three-dimensional surface profile and surface roughness of samples. The results show that the surface quality of as-SLMed samples by ILP is improved. In particular, the surface roughness is decreased by 33.5%. To reveal the mechanism of ILP, a three-dimensional numerical model is established based on the finite volume method (FVM). The model can accurately simulate the mesoscopic scale physical phenomena when the laser interacts with the metal. The temperature field, the melt pool flow, and the evolution of the surface morphology during the ILP process are predicted using this model. The mechanism of ILP is revealed based on the dynamics of the molten pool. The contribution of capillary and thermocapillary forces to the reduction of bulge curvature at different stages is studied. Furthermore, the effect of ILP power on the surface quality is investigated, and the mechanism of bulges and depressions on the track surface during high-power ILP is revealed. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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21 pages, 9777 KiB  
Article
Effect of Quenching Parameters on Distortion Phenomena in AISI 4340 Steel
by Ricardo Daniel Lopez-Garcia, Israel Medina-Juárez and Araceli Maldonado-Reyes
Metals 2022, 12(5), 759; https://doi.org/10.3390/met12050759 - 28 Apr 2022
Cited by 6 | Viewed by 2488
Abstract
During quenching heat treatment, the formation of high residual stress values and the presence of distortion are phenomena which are difficult to control and accurately predict, their effects being extremely important to the components or pieces of complex and robust geometry that are [...] Read more.
During quenching heat treatment, the formation of high residual stress values and the presence of distortion are phenomena which are difficult to control and accurately predict, their effects being extremely important to the components or pieces of complex and robust geometry that are commonly used in the industry. The latter is mainly due to the mixture of the high temperature levels formed between the surface and the cores of the components and the martensitic transformation during quenching. In this research, an experimental and simulated analysis of the process of the quenching heat treatment of AISI 4340 steel, using geometrically complex components, was undertaken with the objective of studying and understanding the effect of quenching process parameters on distortion, stress generation, and mechanical properties. A model that applied the finite elements method (FEM), in which entry data such as thermo-physical and mechanical properties were obtained through experimental techniques that were reported in the literature, made it possible to simulate the cooling process under different conditions, which helped to explain the origins of the distortion in the quenched parts. The results show a close relationship between various quenching parameters such as heat extraction speed, the immersion orientation in the liquid, and the component’s geometry. The data obtained could contribute to accelerating the design process of the heat processing routes for quenching components by taking into consideration both the classic process variables and, due to the increased precision resulting from mathematical modeling, additional factors such as the geometry of real applications. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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14 pages, 7868 KiB  
Article
Fatigue Crack Growth Analysis under Constant Amplitude Loading Using Finite Element Method
by Abdulnaser M. Alshoaibi
Materials 2022, 15(8), 2937; https://doi.org/10.3390/ma15082937 - 18 Apr 2022
Cited by 6 | Viewed by 2954
Abstract
Damage tolerant design relies on accurately predicting the growth rate and path of fatigue cracks under constant and variable amplitude loading. ANSYS Mechanical R19.2 was used to perform a numerical analysis of fatigue crack growth assuming a linear elastic and isotropic material subjected [...] Read more.
Damage tolerant design relies on accurately predicting the growth rate and path of fatigue cracks under constant and variable amplitude loading. ANSYS Mechanical R19.2 was used to perform a numerical analysis of fatigue crack growth assuming a linear elastic and isotropic material subjected to constant amplitude loading. A novel feature termed Separating Morphing and Adaptive Remeshing Technology (SMART) was used in conjunction with the Unstructured Mesh Method (UMM) to accomplish this goal. For the modified compact tension specimen with a varied pre-crack location, the crack propagation path, stress intensity factors, and fatigue life cycles were predicted for various stress ratio values. The influence of stress ratio on fatigue life cycles and equivalent stress intensity factor was investigated for stress ratios ranging from 0 to 0.8. It was found that fatigue life and von Mises stress distribution are substantially influenced by the stress ratio. The von Mises stress decreased as the stress ratio increased, and the number of fatigue life cycles increased rapidly with the increasing stress ratio. Depending on the pre-crack position, the hole is the primary attraction for the propagation of fatigue cracks, and the crack may either curve its direction and grow towards it, or it might bypass the hole and propagate elsewhere. Experimental and numerical crack growth studies reported in the literature have validated the findings of this simulation in terms of crack propagation paths. Full article
(This article belongs to the Topic Numerical Modeling on Metallic Materials)
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