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

Deadline for manuscript submissions: closed (10 January 2023) | Viewed by 23253

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Dr. Bin Wang

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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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Prof. Dr. Arash Soleiman-Fallah

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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

Related Special Issue

Extreme Mechanics in Multiscale Analyses of Materials (Volume II) in Materials (3 articles)

Published Papers (13 papers)

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Editorial

Jump to: Research

2 pages, 179 KiB

Open AccessEditorial

Special Issue “Extreme Mechanics in Multiscale Analyses of Materials”

by Bin Wang and Arash Soleiman-Fallah

Materials 2023, 16(7), 2886; https://0-doi-org.brum.beds.ac.uk/10.3390/ma16072886 - 05 Apr 2023

Viewed by 953

Abstract

The responses and behaviour of engineering structures and materials subjected to various types of loading, particularly those under extreme loading such as earthquakes, explosions, and impacts, as well as under exposure to environmental elements, are of critical significance for the safety and integrity [...] Read more.

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

Research

Jump to: Editorial

16 pages, 5551 KiB

Open AccessArticle

Optical Strain Measurement and Microfractography of the Fractures of Armstal 550 Steel after Temperature Tensile Tests

by Paweł Bogusz, Barbara Nasiłowska and Grzegorz Sławiński

Materials 2022, 15(24), 8875; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15248875 - 12 Dec 2022

Cited by 2 | Viewed by 1027

Abstract

A material strength investigation along with a detailed microfractography analysis of fractures formed during static tensile tests of steel Armstal 550 was performed. The tests in this research were conducted in a temperature range of 298 to 973 K. In addition, during tensile tests at ambient temperature, optical measurements of strain maps and the curvature of the neck were performed. The minimum cross-sectional diameter and the radius of the neck curvature during tensile tests were obtained. The data can be directly used to obtain the true stress–strain curve. The material property analysis confirmed the high strength of the Armstal 550 alloy. The ultimate strength at room temperature equals 2.14 GPa, whereas the yield point equals 1.65 GPa. A decrease in the strength parameters along with an increase in temperature was noted. This is a typical phenomenon related to a change in the density and thermal expansion of steel under the influence of the temperature increase. For example, at a temperature of 500 °C, the ultimate strength is more than 50% less than at room temperature. An in-depth analysis of the metallography and microfractography of fractures resulting from static tensile tests showed the formation of atypical nano- and microstructures with an elongated shape. Local nano- and microstructures were observed at different levels of intensity for different temperatures. The largest clusters of nanoparticles were present on the surfaces of the specimens examined at a temperature of 973 K. Scanning microscopy analysis confirmed the presence of molybdenum oxides. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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16 pages, 6171 KiB

Open AccessArticle

Study on the Effect of NTO on the Performance of HMX-Based Aluminized Cast-PBX

by Pengsong Nie, Shaohua Jin, Xinyu Kou, Lixiaosong Du, Lijie Li, Kun Chen, Yu Chen and Junfeng Wang

Materials 2022, 15(14), 4808; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15144808 - 09 Jul 2022

Cited by 2 | Viewed by 1456

Abstract

3-Nitro−1,2,4-triazol−5-one (NTO) is an explosive with broad application prospects. To study the effect of NTO content on the properties of HMX-based cast-PBX (polymer bonded explosive), five different HMX/NTO-based cast-PBXs were prepared and characterized by experiments and simulations. The results show that the addition of NTO is beneficial to reduce the mechanical sensitivity of cast-PBX, but will reduce the energy level of cast-PBX. We then found that with the increase in NTO content, cast-PBX showed a trend of first increasing and then decreasing in terms of mechanical properties, specific heat capacity (Cp) and thermal conductivity (λ). In addition, we found that the Gurney energy (Eg) of N30 is 2.31 kJ/g. Finally, the increase in NTO content greatly improves the thermal safety performance of the cast-PBXs, and numerical simulation of slow cook-off can be used as one reliable method to obtain the ignition location, ignition temperature and the transient temperature distribution. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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17 pages, 3169 KiB

Open AccessArticle

Determination of the Tool–Chip Contact Length for the Cutting Processes

by Michael Storchak, Konstantin Drewle, Christian Menze, Thomas Stehle and Hans-Christian Möhring

Materials 2022, 15(9), 3264; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15093264 - 02 May 2022

Cited by 11 | Viewed by 1878

Abstract

The thermomechanical interaction of the tool with the chip in the most loaded secondary cutting zone depends on the contact length of the tool rake face with the chip. Experimental studies of the dependency of the contact length on the cutting speed, the undeformed chip thickness, and the tool rake angle, performed by the optical method, are used for comparison with the contact length obtained by the FE modeling of the orthogonal cutting process. To determine the parameters of the constitutive Johnson–Cook equation, which serves as a material model of the FE cutting model that has a predominant influence on the contact length, a software-implemented algorithm was developed. This algorithm is based on determining the generalized parameters of the constitutive equation through finding the intersection of these parameter sets. The plurality intersection of the parameter sets of the constitutive equation is determined by means of the design of experiments and refined by subsequent multiple iterations. The comparison of the contact length values, obtained by simulating the cutting process using the generalized parameters of the constitutive equation as a material model with their experimental values, does not exceed 12% for a wide range of cutting speeds and depths of cut, as well as for the tool rake angle. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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27 pages, 17062 KiB

Open AccessArticle

Devising Bone Molecular Models at the Nanoscale: From Usual Mineralized Collagen Fibrils to the First Bone Fibers Including Hydroxyapatite in the Extra-Fibrillar Volume

by Amadeus C. S. Alcântara, Levi C. Felix, Douglas S. Galvão, Paulo Sollero and Munir S. Skaf

Materials 2022, 15(6), 2274; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15062274 - 19 Mar 2022

Cited by 4 | Viewed by 2224

Abstract

At the molecular scale, bone is mainly constituted of type-I collagen, hydroxyapatite, and water. Different fractions of these constituents compose different composite materials that exhibit different mechanical properties at the nanoscale, where the bone is characterized as a fiber, i.e., a bundle of mineralized collagen fibrils surrounded by water and hydroxyapatite in the extra-fibrillar volume. The literature presents only models that resemble mineralized collagen fibrils, including hydroxyapatite in the intra-fibrillar volume only, and lacks a detailed prescription on how to devise such models. Here, we present all-atom bone molecular models at the nanoscale, which, differently from previous bone models, include hydroxyapatite both in the intra-fibrillar volume and in the extra-fibrillar volume, resembling fibers in bones. Our main goal is to provide a detailed prescription on how to devise such models with different fractions of the constituents, and for that reason, we have made step-by-step scripts and files for reproducing these models available. To validate the models, we assessed their elastic properties by performing molecular dynamics simulations that resemble tensile tests, and compared the computed values against the literature (both experimental and computational results). Our results corroborate previous findings, as Young’s Modulus values increase with higher fractions of hydroxyapatite, revealing all-atom bone models that include hydroxyapatite in both the intra-fibrillar volume and in the extra-fibrillar volume as a path towards realistic bone modeling at the nanoscale. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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12 pages, 3765 KiB

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An Investigation of a New Parameter Based on the Plastic Strain Gradient to Characterize Composite Constraint around the Crack Front at a Low Temperature

by Lingyan Zhao, Zheren Shi, Zheng Wang and Fuqiang Yang

Materials 2022, 15(3), 881; https://0-doi-org.brum.beds.ac.uk/10.3390/ma15030881 - 24 Jan 2022

Cited by 2 | Viewed by 1883

Abstract

Stress corrosion cracking (SCC) is an important destruction form of materials such as stainless steel, nickel-based alloy and their welded components in nuclear reactor pressure vessels and pipes. The existing popular quantitative prediction models of SCC crack growth rate are mainly influenced by fracture toughness values K_Jc or J_c. In particular, the composite constraint, containing the in-plane constraints and out-of-plane constraints around the crack front, has a significant influence on the fracture toughness of structures in nuclear power plants. Since the plastic strain gradient is a characterization parameter of the quantitative prediction model for crack growth rate, it may be a characterization parameter of composite constraint. On the basis of the experimental data at a low temperature of alloy steel 22NiMoCr3-7 used in nuclear pressure vessels, the gradient of equivalent plastic strain D_PEEQ around the crack fronts at different constraint levels was calculated using the finite element method, which introduces a new non-dimensional constraint parameter D_p, to uniformly characterize the in-plane and out-of-plane constraint effects. Compared with constraint parameters A_PEEQ or A_p, the process of obtaining parameters D_PEEQ or D_p is much simpler and easier. In a wide range, a single correlation curve was drawn between parameter D_p and normalized fracture toughness values K_Jc/K_ref or J_c/J_ref of specimens at a low or high constraint level. Therefore, regardless of whether the constraint levels of the structures or standard specimens are low or high, constraint parameter D_p can be used to measure their fracture toughness. To build an evaluation method that has structural integrity and safety while containing the composite constraint effects, in addition to accurate theoretical interpretation, further verification experiments, numerical simulations and detailed discussions are still needed. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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16 pages, 4465 KiB

Open AccessArticle

Modeling the Hydrogen Redistribution at the Grain Boundary of Misoriented Bicrystals in Austenite Stainless Steel

by Fuqiang Yang, Tao Yan, Wenjuan Zhang, Haibing Zhang and Lingyan Zhao

Materials 2022, 15(2), 479; https://doi.org/10.3390/ma15020479 - 09 Jan 2022

Cited by 3 | Viewed by 1442

Abstract

Hydrogen embrittlement, as one of the major concerns for austenitic stainless steel, is closely linked to the diffusion of hydrogen through the grain boundary of materials. The phenomenon is still not well understood yet, especially the full interaction between hydrogen diffusion and the misorientation of the grains. This work aimed at the development of a robust numerical strategy to model the full coupling of the hydrogen diffusion and the anisotropic behavior of crystals in 316 stainless steel. A constitutive model, which allows easy incorporation of crystal orientation, various loading conditions, and arbitrary model geometries, was established by using the finite element package ABAQUS. The study focuses on three different bicrystal models composed of misoriented crystals, and the results indicate that the redistribution of hydrogen is significant closely to the grain boundary, and the redistribution is driven by the hydrostatic pressure caused by the misorientation of two neighboring grains. A higher elastic modulus ratio along the tensile direction will lead to a higher hydrogen concentration difference in the two grains equidistant from the grain boundary. The hydrogen concentration shows a high value in the crystal along the direction with stiff elastic modulus. Moreover, there exists a large hydrogen concentration gradient in a narrow region very close to the grain boundary to balance the concentration difference of the neighboring grains. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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12 pages, 6392 KiB

Open AccessArticle

Deformation and Failure Properties of High-Ni Lithium-Ion Battery under Axial Loads

by Genwei Wang, Shu Zhang, Meng Li, Juanjuan Wu, Bin Wang and Hui Song

Materials 2021, 14(24), 7844; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14247844 - 18 Dec 2021

Cited by 8 | Viewed by 2516

Abstract

To explore the failure modes of high-Ni batteries under different axial loads, quasi-static compression and dynamic impact tests were carried out. The characteristics of voltage, load, and temperature of a battery cell with different states of charge (SOCs) were investigated in quasi-static tests. The mechanical response and safety performance of lithium-ion batteries subjected to axial shock wave impact load were also investigated by using a split Hopkinson pressure bar (SHPB) system. Different failure modes of the battery were identified. Under quasi-static axial compression, the intensity of thermal runaway becomes more severe with the increase in SOC and loading speed, and the time for lithium-ion batteries to reach complete failure decreases with the increase in SOC. In comparison, under dynamic SHPB experiments, an internal short circuit occurred after impact, but no violent thermal runaway was observed. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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12 pages, 3132 KiB

Open AccessArticle

Effect of Material Heterogeneity on Environmentally Assisted Cracking Growth Rate of Alloy 600 for Safe-End Welded Joints

by Kuan Zhao, Shuai Wang, He Xue and Zheng Wang

Materials 2021, 14(20), 6186; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14206186 - 18 Oct 2021

Cited by 5 | Viewed by 1174

Abstract

Environmentally assisted cracking (EAC) is essential in predicting light water reactors’ structural integrity and service life. Alloy 600 (equivalent to Inconel 600) has excellent corrosion resistance and is often used as a welding material in welded joints, but material properties of the alloy are heterogeneous in the welded zone due to the complex welding process. To investigate the EAC crack growth behavior of Alloy 600 for safe-end welded joints, the method taken in this paper concerns the probability prediction of the EAC crack growth rate. It considers the material heterogeneity, combining the film slip-dissolution/oxidation model, and the elastic-plastic finite element method. The strain rate at the crack tip is a unique factor to describe the mechanical state. Still, it is challenging to accurately predict it because of the complicated and heterogeneous material microstructure. In this study, the effects of material heterogeneity on the EAC crack growth behavior are statistically analyzed. The results show that the material heterogeneity of Alloy 600 can not be ignored because it affects the prediction accuracy of the crack growth rate. The randomness of yield strength has the most influence on the EAC growth rate, while Poisson’s ratio has the smallest. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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16 pages, 13532 KiB

Open AccessFeature PaperArticle

High Strain Rate Yielding of Additive Manufacturing Inconel 625 by Selective Laser Melting

by Kang Du, Laixia Yang, Chao Xu, Bin Wang and Yang Gao

Materials 2021, 14(18), 5408; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14185408 - 18 Sep 2021

Cited by 5 | Viewed by 1993

Abstract

Nickel-based alloy Inconel 625, produced by the selective laser melting method, was studied experimentally for its mechanical performance under strain rate loading using Hopkinson bars. Both compression and tensile tests were carried out, with the former also being conducted at 500 °C. The strain rate was in the range of 300 to 3500 s⁻¹ at ambient temperature, and 1200 to 3500 s⁻¹ at the elevated temperature, respectively, for compression tests, and 900 to 2400 s⁻¹ for tensile tests. Results show that the alloy has a strong rate sensitivity with the dynamic yield stress at 3500 s⁻¹, almost doubling the quasistatic value. The test results also show that, even though the temperature elevation leads to material softening, the strain rate effect is still evidential with the dynamic compressive yield stress at the rate 10³ s⁻¹ and 500 °C still being higher than the quasistatic one at ambient temperature. It is also observed that dynamic tensile strengths are generally higher than those of compressive ones at room temperature. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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20 pages, 43214 KiB

Open AccessArticle

Effect of Yield Strength Distribution Welded Joint on Crack Propagation Path and Crack Mechanical Tip Field

by Yueqi Bi, Xiaoming Yuan, Jishuang Lv, Rehmat Bashir, Shuai Wang and He Xue

Materials 2021, 14(17), 4947; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14174947 - 30 Aug 2021

Cited by 13 | Viewed by 1999

Abstract

Due to the particularity of welding processes, the mechanical properties of welded joint materials, especially the yield strength, are unevenly distributed, and there are also a large number of micro cracks, which seriously affects the safety performance of welded joints. In this study, to analyze the effect of the uneven distribution of yield strength on the crack propagation path of welded joints, other mechanical properties and residual stresses of welded joints are ignored. In the ABAQUS 6.14 finite element software, the user-defined field (USDFLD) subroutine is used to define the unevenly distributed yield strength, and extended finite element (XFEM) is used to simulate crack propagation. In addition, the static crack finite element model of the welded joint model is established according to the crack propagation path, which is given the static crack model constant stress intensity factor load, and the influence of an uneven yield strength distribution on mechanical field is analyzed. The results show that the crack length of welded joints as well as the plastic deformation range of the crack tip in high stress areas can be reduced with the increase of yield strength along the crack propagation direction. Moreover, the crack deflects to the low yield strength side. This study provides an analytical reference for the crack path prediction of welded joints. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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12 pages, 4143 KiB

Open AccessArticle

Effect of Mechanical Heterogeneity on Strain and Stress Fields at Crack Tips of SCC in Dissimilar Metal Welded Joints

by Shun Zhang, He Xue, Shuai Wang, Yuman Sun, Fuqiang Yang and Yubiao Zhang

Materials 2021, 14(16), 4450; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14164450 - 09 Aug 2021

Cited by 7 | Viewed by 1684

Abstract

The crack tip strain and stress condition are one of the main factors affecting stress corrosion cracking (SCC) behaviors in the dissimilar metal welded joint of the primary circuit in the pressurized water reactor. The mechanical property mismatch of base metal and weld metal can significantly affect the stress and strain condition around the crack tip. To understand the effect of different weld metals on strain and stress fields at SCC crack tips, the effects of strength mismatch, work hardening mismatch, and their synergy on the strain and stress field of SCC in the bi-material interface, including plastic zone, stress state, and corresponding J-integral, are investigated in small-scale yielding using the finite element method. The results show a significant effect of the strength mismatch and work hardening mismatch on the plastic zone and stress state in the weld metal and a negligible effect in the base metal. J-integral decreases with the single increase in either strength mismatch or work hardening mismatch. Either the increase in strength mismatch or work hardening mismatch will inhibit the other’s effect on the J-integral, and a synthetic mismatch factor can express this synergistic effect. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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13 pages, 5941 KiB

Open AccessArticle

Characterization of Mechanical Heterogeneity in Dissimilar Metal Welded Joints

by He Xue, Zheng Wang, Shuai Wang, Jinxuan He and Hongliang Yang

Materials 2021, 14(15), 4145; https://0-doi-org.brum.beds.ac.uk/10.3390/ma14154145 - 26 Jul 2021

Cited by 14 | Viewed by 1617

Abstract

Dissimilar metal welded joints (DMWJs) possess significant localized mechanical heterogeneity. Using finite element software ABAQUS with the User-defined Material (UMAT) subroutine, this study proposed a constitutive equation that may be used to express the heterogeneous mechanical properties of the heat-affected and fusion zones at the interfaces in DMWJs. By eliminating sudden stress changes at the material interfaces, the proposed approach provides a more realistic and accurate characterization of the mechanical heterogeneity in the local regions of DMWJs than existing methods. As such, the proposed approach enables the structural integrity of DMWJs to be analyzed in greater detail. Full article

(This article belongs to the Special Issue Extreme Mechanics in Multiscale Analyses of Materials)

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