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Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials

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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: 10 December 2026 | Viewed by 4397

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Editors

Dr. Le Chang

E-Mail Website
Guest Editor

School of Mechanical and Power Engineering, Nanjing Tech University, Nanjing, China
Interests: high-entropy alloys; titanium alloys; additive manufacturing; fatigue and fracture; hydrogen embrittlement
Special Issues, Collections and Topics in MDPI journals

Dr. Bojun Zhang

E-Mail Website
Guest Editor Assistant

Technology Research and Development Department, Nanjing Boiler and Pressure Vessel Inspection Institute, Nanjing 210028, China
Interests: mechanical behavior of non-ferrous metal; safety of special equipment; health monitoring

Special Issue Information

Dear Colleagues,

Advanced structural materials—such as titanium alloys, magnesium alloys, and high-entropy alloys—are essential for lightweight and high-performance applications in aerospace, automotive, and energy sectors. Despite their outstanding strength-to-weight ratios and corrosion resistance, predicting their mechanical behavior under complex service conditions remains a major challenge.

This Special Issue focuses on recent advances in understanding the microstructure–property relationships of such materials through integrated experimental and multiscale modeling approaches. Topics of interest include, but are not limited to, the following:

Deformation and failure mechanisms under extreme environments.
The role of defects, phase transformations, and interfaces.
Multiscale simulations (e.g., CPFEM, molecular dynamics, phase-field).
In situ testing, advanced microscopy, and characterization techniques.
Data-driven or AI-assisted modeling and material design.

We welcome original contributions that combine experimental insight with simulation to explore the mechanical performance, durability, and design potential of advanced structural materials. Studies addressing current gaps in predictive modeling and application-driven material development are particularly encouraged.

Dr. Le Chang
Guest Editor

Dr. Bojun Zhang
Guest Editor Assistant

Manuscript Submission Information

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Keywords

mechanical behavior
multiscale modeling
lightweight structural materials
microstructure–property relationships
data-driven modeling
deformation mechanisms
extreme service conditions
high-entropy alloys

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Published Papers (5 papers)

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Research

13 pages, 5565 KB

Open AccessArticle

Theoretical Analysis and Numerical Simulation of Ejection Demolding Process Parameters for Large Cylindrical Helical Gears After Die Forging

by Aihua Zhang, Guosheng Fei, Xiaoci Chen, Zuofa Liu, Jie Zhou, Yancheng Zhang and Jiansheng Zhang

Materials 2026, 19(10), 2125; https://doi.org/10.3390/ma19102125 - 19 May 2026

Viewed by 347

Abstract

To address the critical technical issue of difficult demolding following the die forging process of large cylindrical helical gears, a systematic theoretical analysis and process parameter investigation of the demolding technique for such forgings was conducted in the present work. Firstly, a mechanical theoretical model was established for the forging ejection and demolding procedure, and the influence mechanisms of friction coefficient and ejection velocity on ejection load, effective strain, and damage characteristics of the forging were quantitatively revealed. The results indicated that an increase in friction coefficient led to a remarkable growth in frictional resistance between the forging and the tooth-profile die cavity, which consequently elevated the maximum ejection load, effective strain, and damage value of the forging synchronously. Similarly, the maximum ejection load, peak effective strain, and maximum damage value of the forging increased sharply with the rise in ejection velocity. Therefore, it was proposed that in practical industrial production, the friction coefficient should be controlled within the range of 0.25 to 0.30 by adopting suitable high-temperature lubrication measures, and a relatively low ejection velocity should be preferentially adopted to guarantee the overall quality of the forged gear. This study provided a reliable theoretical basis and technical support for engineering applications. The optimized parameters (friction coefficient 0.25–0.30 and low ejection velocity) could be directly adopted in industrial production to reduce ejection load, lower strain and damage, and stabilize the forging quality of large cylindrical helical gears in actual die forging and demolding processes. Full article

(This article belongs to the Special Issue Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials)

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19 pages, 5648 KB

Open AccessArticle

A Composite Material Repair Structure: For Defect Repair of Branch Pipe Fillet Welds in Oil and Gas Pipelines

by Liangshuo Zhao, Yingjie Qiao, Zhongtian Yin, Bo Xie, Bangyu Wang, Jingxue Zhou, Siyu Chen, Zheng Wang, Xiaodong Wang, Xiaohong Zhang, Xiaotian Bian, Xin Zhang, Yan Wu and Peng Wang

Materials 2026, 19(2), 222; https://doi.org/10.3390/ma19020222 - 6 Jan 2026

Cited by 3 | Viewed by 923

Abstract

In the oil and gas pipeline industry, numerous small-diameter branch pipe fillet welds exist, which are prone to stress concentration because of diverse geometric shapes. The internal welding defects within these welds pose severe hazards to safe production. Specifically, the irregular geometry often leads to internal root defects where the weld metal fails to fully penetrate the joint or fuse with the base material (referred to as incomplete penetration and incomplete fusion). This study developed a GF-CF-GF (CF is carbon fiber, GF is glass fiber) sandwich composite reinforcement structure for pipe fittings with these specific internal defects (main pipe: Φ323.9 × 12.5 mm; branch pipe: Φ76 × 5 mm) through a combination of finite element analysis (FEA) and burst test verification. The inherent correlation between structural factors and pressure-bearing capacity was revealed by analyzing the influence of defect sizes. Based on FEA, the repair layer coverage should be designed to be within 400 mm from the defect along the main pipe wall direction and within 100 mm from the defect along the branch pipe wall direction, with required thicknesses of 5.6 mm for incomplete penetration and 3.2 mm for incomplete fusion. Analysis of the actual burst test pressure curve showed that the elastic-plastic transition interval of the repaired pipes increased by approximately 2 MPa compared to normal undamaged pipes, and their pressure-bearing capacities rose by 1.57 MPa (incomplete penetration) and 1.76 MPa (incomplete fusion). These results demonstrate the feasibility of the proposed reinforcement design, which has potential applications in the safety and integrity of oil and gas transportation. Full article

(This article belongs to the Special Issue Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials)

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17 pages, 4796 KB

Open AccessArticle

Nanomechanical and Adhesive Behavior of Electrophoretically Deposited Hydroxyapatite- and Chitosan-Based Coatings on Ti13Zr13Nb Alloy

by Michał Bartmański

Materials 2025, 18(23), 5323; https://doi.org/10.3390/ma18235323 - 26 Nov 2025

Cited by 4 | Viewed by 749

Abstract

This work reports on the effects of surface pre-treatment and EPD process parameters on the nanomechanical and adhesive performance of chitosan-based composite coatings fabricated on a Ti13Zr13Nb alloy. Three different coating systems were prepared: chitosan–Cu (series A), chitosan–HAp (series B), and HAp–Cu (series C). Coatings were deposited from suspensions at different voltages (10–30 V) and for various times (1–2 min) onto polished, anodized, and laser surface-treated titanium alloy substrates. Microstructural, nanomechanical, and adhesion properties were characterized by means of SEM, nanoindentation, and nanoscratch testing, respectively. Chitosan–Cu coatings exhibited the highest hardness (up to 8.2 GPa) and stiffness due to the homogeneous dispersion of Cu nanoparticles and strong interfacial bonding to the underlying anodized TiO₂ layer. Chitosan–HAp coatings were softer (0.05–0.13 GPa) and highly plastic, particularly after laser surface treatment due to their specific porous, polymer-dominated structure. HAp–Cu coatings exhibited an intermediate mechanical behavior with a hardness between 0.1 GPa and 2.9 GPa and enhanced elastic recovery (Wp/We ≈ 3.5–4.7), particularly for anodized substrates. The nanoscratch test results showed that the HAp–Cu coatings exhibited the highest adhesion Lc (≈150–173 mN), confirming a synergistic effect of hybrid composition and heat treatment on interfacial toughness. The present data demonstrate that the optimization of anodizing and EPD processing parameters allows for the manipulation of the mechanical integrity and adhesion of bioactive chitosan-based coatings for titanium biomedical applications. Full article

(This article belongs to the Special Issue Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials)

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19 pages, 12800 KB

Open AccessArticle

Fatigue Behavior and Life Prediction of L-PBF Ti64 with Critical Plane Based Small Building Direction Variations Under Non-Proportional and Multiaxial Loading

by Tian-Hao Ma, Yu-Xin Wang, Le Chang, Wei Zhang, Jian-Ping Zhao and Chang-Yu Zhou

Materials 2025, 18(22), 5122; https://doi.org/10.3390/ma18225122 - 11 Nov 2025

Cited by 1 | Viewed by 730

Abstract

Multiaxial low-cycle fatigue (MLCF) behavior of laser powder bed fused (L-PBF) Ti-6Al-4V was systematically investigated with four building direction (BD) in this paper. Proportional and non-proportional strain-controlled MLCF tests characterized cyclic softening and fracture mechanisms. L-PBF Ti-6Al-4V exhibits three-stage cyclic softening with occasional initial hardening, while non-proportional softening predominates, contrasting with conventional titanium alloys. Macro-micro characterization reveals that defect density and cleavage morphology strongly influence fatigue performance across BD. Fatigue life was predicted using analytical models (FS and KBMP) and a hybrid physics- and data-driven VAE-ANN model. While the KBMP model improves predictions over FS, both fail to fully account for BD effects. Incorporating macro-micro features, the VAE-ANN model achieves highly accurate MLCF life predictions within 10% error. These results highlight the critical roles of BD and microstructural characteristics in governing the MLCF behavior of L-PBF Ti-6Al-4V. Full article

(This article belongs to the Special Issue Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials)

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23 pages, 18157 KB

Open AccessArticle

Proportional Multiaxial Fatigue Behavior and Life Prediction of Laser Powder Bed Fusion Ti-6Al-4V with Critical Plane-Based Building Direction Variations

by Tian-Hao Ma, Yu-Xin Wang, Wei Zhang, Jian-Ping Zhao and Chang-Yu Zhou

Materials 2025, 18(21), 5056; https://doi.org/10.3390/ma18215056 - 6 Nov 2025

Cited by 2 | Viewed by 948

Abstract

Laser powder bed fusion (L-PBF) is an additive manufacturing technique that enables the fabrication of complex geometries through a layer-by-layer approach, overcoming limitations of conventional manufacturing. In this study, multiaxial low-cycle fatigue (MLCF) tests were conducted on L-PBF Ti-6Al-4V (Ti64) specimens built in four different orientations, selected based on critical plane orientations identified from rolled titanium. Under proportional strain-controlled loading, the cyclic softening behavior, mean stress response, and fracture mechanisms of the material were systematically investigated. The results show that L-PBF Ti64 exhibits a three-stage softening characteristic (continuous softening, stable, and rapid softening). Fatigue cracks primarily initiate from inner-surface lack-of-fusion defects. Crack propagation shows cleavage and quasi-cleavage characteristics with tearing ridges, river patterns, and multi-directional striations. Proposed KBMP life prediction model, incorporating λ and building direction parameters, was developed. The KBMP-λ model demonstrates optimal accuracy, providing a reliable tool for the design of L-PBF titanium components subjected to complex multiaxial fatigue loading with relative errors within 20%. Full article

(This article belongs to the Special Issue Mechanical Behavior and Multiscale Modeling of Advanced Structural Materials)

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