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Mechanical Behavior of Materials with Advanced Modeling and Characterization

Submission Deadline: 31 August 2026 View: 860 Submit to Special Issue

Guest Editor(s)

Prof. Hao Wang

Email: haowang@imr.ac.cn

Affiliation: Institute of Metal Research, Department of Titanium Alloys, Chinese Academy of Sciences, Beijing, 100190, China

Homepage:

Research Interests: Materials Genome; Multiscale Simulation; Artificial Intelligence

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Summary

The mechanical behavior of materials largely determines their applications. The chase for better materials calls for a deeper understanding of materials' mechanical behaviors. As material composition, defect, microstructure, as well as the processing routes and geometrical shape of the products, become more and more complex, traditional simulation and experiment techniques are incapable of capturing the material's behavior either on the very fine space and time scales, or across space and time scales. The aim of this Special Issue is to highlight recent advances in studying the mechanical behavior of materials with advanced modeling and characterization. Thus, the Special Issue welcomes, but is not limited to, the following topics:
• Atomic-scale simulation on defect behaviors and their relevance to macro-scale properties;
• Theoretical modeling, simulation, or experimental characterization across space and time scales;
• Complex interaction between point defects, dislocations, interfaces, etc.
• AI-assisted investigation of composition-microstructure-property relationship.


Keywords

mechanical behavior, modeling and characterization, cross-scale, defect interaction, performance

Published Papers


  • Open Access

    ARTICLE

    Machine Learning for Density Prediction and Process Development of Large Layer Thickness LPBF 304L Stainless Steel and Its Mechanical Impacts

    Zhen Yan, Jiani Huang, Yanlin Gu, Qingqing Xu, Yuyu Guo, Kun Lin, Juan Hou
    CMC-Computers, Materials & Continua, DOI:10.32604/cmc.2026.079204
    (This article belongs to the Special Issue: Mechanical Behavior of Materials with Advanced Modeling and Characterization)
    Abstract This study addresses the challenge of balancing “high deposition efficiency with large layer thickness” and “component mechanical integrity” in Laser Powder Bed Fusion (LPBF) additive manufacturing. Using 304L stainless steel as an example, a hybrid modeling strategy combining physical mechanism models and residual machine learning was proposed, achieving accurate prediction of densification at H = 60, 90, and 120 μm (test set R2 = 0.833, MAE = 0.104). Within the Doehlert matrix experimental design framework, the coupled effects of laser power, scanning speed, and scanning spacing on densification behavior, microstructure evolution, and mechanical response at different… More >

  • Open Access

    ARTICLE

    Effect of Cross Linking on Molecular Structure of Polydimethylsiloxane/Hydroxyapatite: Molecular Dynamics Simulation

    Chellaiah Ayyanar, Sumit Pramanik
    CMC-Computers, Materials & Continua, DOI:10.32604/cmc.2026.079080
    (This article belongs to the Special Issue: Mechanical Behavior of Materials with Advanced Modeling and Characterization)
    Abstract The potential of nontoxic elastomers like polydimethylsiloxane (PDMS) and bioceramic hydroxyapatite (HA) crystals has been demonstrated in numerous advanced applications. However, their crosslinking behavior in a composite system has not yet been modeled through simulation. Therefore, we employed a simulation-based approach to construct initial unit cell models of PDMS and HA, and for the first time, created PDMS-HA molecular structures using Materials Studio (MS) software. Molecular dynamics (MD) methods were applied to gain deeper insight into the structural framework and physical properties of PDMS, HA, and PDMS-HA composite. Equilibrium state via Forcite, physical, chemical, and thermal… More >

  • Open Access

    ARTICLE

    The Influence of the Grain Size Effect on the Mechanical Properties of Metallic Tungsten during Nanoindentation

    Duo Li, Shuhao Kang, Yukun Liu, Yang Shen, Ruihan Li, Yuhu Liu, Shujun Huang, Xin Wu, Huan Liu
    CMC-Computers, Materials & Continua, Vol.88, No.1, 2026, DOI:10.32604/cmc.2026.078734
    (This article belongs to the Special Issue: Mechanical Behavior of Materials with Advanced Modeling and Characterization)
    Abstract Tungsten plays a critical role in semiconductor electrical interconnects, and a thorough understanding of its mechanical properties is essential for optimizing its processing and performance. However, few studies have explored the effect of grain refinement on the mechanical behavior of tungsten. The work indicates a phenomenological transition around ~7.3 nm within the tested grain-size range that governs the nanoindentation response of tungsten. To establish this, we performed molecular dynamics (MD) simulations of nanoindentation for different grain sizes and analyzed surface pile-up, elastic recovery, atomic displacement, loading force, hardness, stress/strain behavior, dislocation density, and dislocation evolution. More >

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