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Extreme Mechanics in Multiscale Analyses of Materials (Volume II)

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

Deadline for manuscript submissions: 20 May 2025 | Viewed by 7607

Special Issue Editors

Department of Mechanical and Aerospace Engineering, Brunel University London, Uxbridge, London UB8 3PH, UK
Interests: constitutive laws of materials; composites; stress and structural analysis; fracture and fatigue; functional materials; biomechanics; impact and dynamics
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Guest Editor
Faculty of Technology, Art and Design, Department of Mechanical, Electronics and Chemical Engineering, Oslo Metropolitan University, Pilestredet 46, 0167 Oslo, Norway
Interests: composite materials; phononic metamaterials; lattice dynamics; XFEM; peridynamics; impact mechanics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Metals, composites, ceramics, and biological materials are functional materials found in nature or are synthesized to be used in the design of structural components in order to bear static, dynamic, and thermal loads. In extreme conditions, e.g., because of ballistic impacts, thermal shocks, or excessive loading, materials respond differently to the service loading state. Phenomena such as fracture, dislocation dynamics, and viscoplasticity emerge as a result of these extreme conditions and affect strain and stress fields substantially. A thorough understanding of these phenomena requires multiscale simulation, testing, and analyses.

This Special Issue is concerned with investigations of material behavior in extreme loading conditions using multiscale analyses. Scientifically sound and well-organized analytical, computational, and experimental studies are being solicited. Areas such as micromechanics, mesoscale simulation, and bottom-up modeling across many scales, from atomistic simulations to a continuum level, are of interest. Fields such as multiscale experimentation of fractures, dislocation dynamics, shock front and damage discontinuity in materials, viscoplasticity, and thermal shock effects are among the subjects of relevance and interest. Contributions to experimental studies that advance knowledge of the response of materials subjected to deterministic and accidental extreme loads should be accompanied by analyses of the experimental data and appropriate conclusions.

Dr. Bin Wang
Prof. Dr. Arash Soleiman-Fallah
Guest Editors

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Keywords

  • micromechanics
  • multiscale simulation
  • mesoscale modelling
  • atomistic simulations
  • experimental multiscale analysis
  • adaptive multiscale modelling
  • dynamic homogenization
  • thermal fracture
  • dynamic fracture
  • excessive loading

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Related Special Issue

Published Papers (6 papers)

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Research

24 pages, 6420 KiB  
Article
Finite Element Simulation of Hot Rolling for Large-Scale AISI 430 Ferritic Stainless-Steel Slabs Using Industrial Rolling Schedules—Part 1: Set-Up, Optimization, and Validation of Numerical Model
by Adrián Ojeda-López, Marta Botana-Galvín, Irene Collado-García, Leandro González-Rovira and Francisco Javier Botana
Materials 2025, 18(2), 383; https://doi.org/10.3390/ma18020383 - 16 Jan 2025
Cited by 1 | Viewed by 858
Abstract
A growing need to reduce the environmental impact and cost of manufacturing stainless steels has led to the development of ferritic stainless steel as an alternative to austenitic and duplex steels. The development of new stainless steels involves the optimization of their hot [...] Read more.
A growing need to reduce the environmental impact and cost of manufacturing stainless steels has led to the development of ferritic stainless steel as an alternative to austenitic and duplex steels. The development of new stainless steels involves the optimization of their hot rolling processes, with the aim of minimizing the occurrence of defects and improving productivity. In this context, numerical simulation using the finite element method (FEM) is presented as a key tool to reduce the time and cost associated with traditional trial-and-error optimization methods. Previous work oriented towards the simulation of stainless steels has been focused on the study of small samples, on the performance of laboratory-scale tests, and on the use of 2D FEM models. In this study, a three-dimensional FEM model is proposed to simulate the hot rolling process of large-scale AISI 430 ferritic stainless-steel slabs using an industrial rolling schedule employed in the actual manufacturing process of flat products. Model optimization is performed in order to reduce the computational cost of the simulations, based on the simulation of the first pass of the hot rolling process of AISI 430 stainless steel. The results show that model optimization reduces the computational time by 90.2% without compromising the accuracy of the results. Thus, it was found that the results for thickness and rolling load showed a good correlation with the experimental values. In addition, the simulations performed allowed for the analysis of the distribution of temperature and effective plastic strain. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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26 pages, 16627 KiB  
Article
Comparative Analysis of Temperature and Stress Simulations in Mass Concrete for Sluice Gate Structures Based on Chinese and American Standards
by Jiaming Zhang, Dan Zhou, Xiangyu He, Xing Hu and Sheng Qiang
Materials 2025, 18(1), 100; https://doi.org/10.3390/ma18010100 - 30 Dec 2024
Viewed by 637
Abstract
Temperature-induced cracks during the construction of large concrete structures, such as water gates and bridges, caused by hydration heat, pose a serious threat to structural safety and reliability. To address this, various countries have developed temperature control standards and guidelines for mass concrete [...] Read more.
Temperature-induced cracks during the construction of large concrete structures, such as water gates and bridges, caused by hydration heat, pose a serious threat to structural safety and reliability. To address this, various countries have developed temperature control standards and guidelines for mass concrete structures, providing design direction and evaluation criteria. China and the United States (U.S.) are leaders in the field of temperature control for mass concrete structures, with significant influence in international projects. The study of the differences in temperature control results between the two countries’ standards not only helps to understand the impact of different regulations on temperature control design but also provides more design options for multinational projects. This study uses ABAQUS software (version 2023)to establish a finite element model of a water gate and employs secondary development of ABAQUS to simulate the temperature and stress fields under both Chinese and U.S. standards. The results indicate that the overall temperature and stress distributions of the structure are similar under both standards. The calculation results for internal and surface characteristic points show that the maximum temperature predicted by the Chinese standard is slightly higher than that of the U.S. standard, with a difference of no more than 1.7 °C. However, the maximum tensile stress calculated under the Chinese standard is lower than that of the U.S. standard, with internal stress differences not exceeding 0.23 MPa and surface stress differences not exceeding 0.56 MPa. This study provides a direct comparison of the temperature control results between the two standards, offering valuable insights for international projects to balance cost and safety, while also providing empirical evidence for optimizing national standards. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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23 pages, 14016 KiB  
Article
A 3D Elastoplastic Constitutive Model Considering Progressive Damage Behavior for Thermoplastic Composites of T700/PEEK
by Weigang Fu, Huanjie Xiong, Zhe Liao, Junchi Ma, Yaoming Fu and Bin Wang
Materials 2024, 17(13), 3317; https://doi.org/10.3390/ma17133317 - 4 Jul 2024
Cited by 2 | Viewed by 1274
Abstract
Due to their excellent mechanical properties, the carbon fiber-reinforced polymer composites (CFRPs) of thermoplastic resins are widely used, and an accurate constitutive model plays a pivotal role in structural design and service safety. A two-parameter three-dimensional (3D) plastic potential was obtained by considering [...] Read more.
Due to their excellent mechanical properties, the carbon fiber-reinforced polymer composites (CFRPs) of thermoplastic resins are widely used, and an accurate constitutive model plays a pivotal role in structural design and service safety. A two-parameter three-dimensional (3D) plastic potential was obtained by considering both the deviatoric deformation and the dilatation deformation associated with hydrostatic stress. The Langmuir function was first adopted to model the plastic hardening behavior of composites. The two-parameter 3D plastic potential, connected to the Langmuir function of plastic hardening, was thus proposed to model the constitutive behavior of the CFRPs of thermoplastic resins. Also, T700/PEEK specimens with different off-axis angles were subjected to tensile loading to obtain the corresponding fracture surface angles of specimens and the load–displacement curves. The two unknown plastic parameters in the proposed 3D plastic potential were obtained by using the quasi-Newton algorithm programmed in MATLAB, and the unknown hardening parameters in the Langmuir function were determined by fitting the effective stress-plastic strain curve in different off-axis angles. Meanwhile, the user material subroutine VUMAT, following the proposed constitutive model, was developed in terms of the maximum stress criterion for fiber failure and the LaRC05 criterion for matrix failure to simulate the 3D elastoplastic damage behavior of T700/PEEK. Finally, comparisons between the experimental tests and the numerical analysis were made, and a fairly good agreement was found, which validated the correctness of the proposed constitutive model in this work. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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16 pages, 7280 KiB  
Article
Analysis of Crack Propagation Behaviors in RPV Dissimilar Metal Welded Joints Affected by Residual Stress
by Lingyan Zhao, Yuchun Sun, Zheren Shi and Bin Yang
Materials 2023, 16(19), 6578; https://doi.org/10.3390/ma16196578 - 6 Oct 2023
Cited by 3 | Viewed by 1543
Abstract
In severe service environments, the presence of high local residual stress, significant organizational gradient, and nonlinear changes in material properties often leads to stress corrosion cracking (SCC) in dissimilar metal welded (DMW) joints. To accurately predict the crack growth rate, researching the initiation [...] Read more.
In severe service environments, the presence of high local residual stress, significant organizational gradient, and nonlinear changes in material properties often leads to stress corrosion cracking (SCC) in dissimilar metal welded (DMW) joints. To accurately predict the crack growth rate, researching the initiation and propagation behavior of SCC cracks in DMW joints under residual stress (RS) is one of the most important methods to ensure the safe operation of nuclear power plants. Using the extended finite element method (XFEM), the crack propagation behaviors in DMW joints under different RS states are predicted and compared. The effects of RS, crack location, and initial crack length on crack propagation behavior are investigated. The crack in a DMW joint without RS deflects to the material of low yield strength. High residual stress urges the crack growing direction to deflect toward the material of high yield strength. Young’s modulus has little impact on the crack deflection paths. The distance between the specimen symmetric line and the boundary line has little effect on the crack initiation and propagation within the RS field. A long initial crack is more likely to initiate and propagate than a short crack. To a long crack and the crack that is far from the interface of two materials, the impact of residual stress on the crack propagation path is significant when it is located in a material with high yield strength, while when the initial crack is located in the material with low yield strength, RS has a great influence on the deflection of a short crack growth direction on the condition that the crack is adjacent to the interface. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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21 pages, 4934 KiB  
Article
Modeling Corrosion Product Film Formation and Hydrogen Diffusion at the Crack Tip of Austenitic Stainless Steel
by Fuqiang Yang, Jianzhou Zhang and Yue Zhang
Materials 2023, 16(17), 5799; https://doi.org/10.3390/ma16175799 - 24 Aug 2023
Cited by 3 | Viewed by 1326
Abstract
Corrosion product films (CPFs) have significant effects on hydrogen permeation and the corrosion process at the crack tip. This paper established a two-dimensional calculation model to simulate the formation of CPFs at the crack tip and its effects on the crack tip stress [...] Read more.
Corrosion product films (CPFs) have significant effects on hydrogen permeation and the corrosion process at the crack tip. This paper established a two-dimensional calculation model to simulate the formation of CPFs at the crack tip and its effects on the crack tip stress status and hydrogen diffusion. The CPFs were simplified as a single-layer structure composed of Fe2O3, the effective CPFs boundary was modeled by the diffusion of oxygen, and the CPF-induced stress was modeled by hygroscopic expansion. The simulation was conducted with two stages; the first stage was to simulate the formation of CPFs formation and its effects on the crack tip stress status, while the second stage focused on the hydrogen diffusion with and without CPF formation under different external tensile loads. The results indicate that the highest compressive stress induced by the formation of CPFs is located at 50~60° of the crack contour and dramatically weakens the crack tip tensile stress at low-stress status. The CPFs can inhibit the hydrogen permeation into the crack tip, and the hydrostatic pressure effects on the redistribution of the permeated hydrogen are significant under larger external load conditions. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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19 pages, 13960 KiB  
Article
New Numerical Method Based on Linear Damage Evolution Law for Predicting Mechanical Properties of TiB2/6061Al
by Weigang Fu, Junchi Ma, Zhe Liao, Huanjie Xiong, Yaoming Fu and Bin Wang
Materials 2023, 16(13), 4786; https://doi.org/10.3390/ma16134786 - 3 Jul 2023
Cited by 4 | Viewed by 1274
Abstract
In order to study the effect of TiB2 particles on the mechanical properties of TiB2/6061Al composites, a series of 3D TiB2/6061Al representative volume elements (RVEs) were established based on SEM photos. This model took into account the ductile [...] Read more.
In order to study the effect of TiB2 particles on the mechanical properties of TiB2/6061Al composites, a series of 3D TiB2/6061Al representative volume elements (RVEs) were established based on SEM photos. This model took into account the ductile damage of the matrix and the traction separation behavior of the interface, and the linear damage evolution law was introduced to characterize stiffness degradation in the matrix elements. Mixed boundary conditions were used in the RVE tensile experiments, and the accuracy of the predicted result was verified by the agreement of the experimental stress-strain curve. The results showed that the addition of TiB2 particles can effectively promote the load-bearing capacity of the composite, but elongation is reduced. When the weight fraction of TiB2 increased from 2.5% to 12.5%, the elastic modulus, yield strength, and tensile strength increased by 8%, 10.37%, and 11.55%, respectively, while the elongation decreased by 10%. The clustering rate of the TiB2 particles is also an important factor affecting the toughness of the composites. With an increase in the clustering rate of TiB2 particles from 20% to 80%, the load-bearing capacity of the composites did not improve, and the elongation of the composites was reduced by 8%. Moreover, the high-strain region provides a path for rapid crack propagation, and particle spacing is a crucial factor that affects the stress field. Full article
(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials (Volume II))
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