Multiscale Computational and Experimental Research of Mechanical Properties and Microstructural Characterization of Metallic Materials

A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: 25 December 2026 | Viewed by 902

Special Issue Editors


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Guest Editor
State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 730050, China
Interests: multiscale computation; experimental research; mechanical properties; microstructural characterization

E-Mail Website
Guest Editor
State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, School of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 730050, China
Interests: materials design and simulation; materials characterization; first-principles; molecular dynamics

Special Issue Information

Dear Colleagues,

This Special Issue aims to integrate the latest research results of multiscale computational modeling and experimental methods in the mechanical properties and microstructure characterization of metal materials and provide a multiscale communication platform for researchers to promote academic discussion and scientific progress. By combining theoretical modeling, experimental characterization and numerical simulation, this Special Issue will deeply explore the mechanical behavior and deformation mechanism of metal materials at different scales and promote the in-depth understanding of material properties and technological innovation. In addition, the Special Issue also encourages contributions to research in the fields of advanced manufacturing processes, material defect evolution, interface behavior and high-performance alloy design, with a view to provide new ideas and directions for the development of metal materials science and engineering. In recent years, with the development of additive manufacturing, nano materials, lightweight alloys and other emerging technologies, the research of metal materials is moving towards a more refined and intelligent direction. Therefore, this Special Issue pays special attention to the application of multiscale modeling in material design and performance prediction and emphasizes the systematic research from atomic scale to macro engineering application. At the same time, the Special Issue is also committed to promoting the innovation of experimental methods, such as high-resolution electron microscopy and in situ testing technology, in order to achieve a more accurate characterization of the relationship between the microstructure and properties of materials. By pooling the wisdom and achievements of researchers around the world, this Special Issue will inject new vitality into the sustainable development of metal materials science and engineering and promote its wide application in key fields such as aerospace, energy, medical treatment, etc.

Dr. Junqiang Ren
Prof. Dr. Xuefeng Lu
Guest Editors

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Keywords

  • multiscale computation
  • experimental research
  • finite element simulation
  • first principles
  • molecular dynamics
  • mechanical properties
  • microstructural characterization
  • metallic materials

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Published Papers (2 papers)

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Research

20 pages, 4046 KB  
Article
Temperature Field Simulation and Process Parameter Analysis of Self-Propagating High-Temperature Synthesis for Al–V Master Alloy
by Rongqing Feng, Chao Lei, Min Liu, Pengzhe Qu, Fangqi Liu and Lei Jia
Metals 2026, 16(4), 414; https://doi.org/10.3390/met16040414 - 9 Apr 2026
Viewed by 229
Abstract
Aluminum–vanadium (Al–V) master alloy is a key raw material for manufacturing high-end alloys, but the internal temperature transient field during its self-propagating high-temperature synthesis (SHS) is nearly impossible to measure in situ. This work develops a numerical simulation framework for Al–V master alloy [...] Read more.
Aluminum–vanadium (Al–V) master alloy is a key raw material for manufacturing high-end alloys, but the internal temperature transient field during its self-propagating high-temperature synthesis (SHS) is nearly impossible to measure in situ. This work develops a numerical simulation framework for Al–V master alloy SHS, featuring a novel temperature–time dual-criteria adaptive moving heat source and a gas–liquid–solid three-phase heat transfer model coupled with temperature-dependent thermophysical properties. The model, implemented in ANSYS Fluent via a customized user-defined function (UDF), is experimentally validated with a maximum temperature error below 7%. Results reveal that higher compact relative density accelerates combustion wave propagation, while increased slagging agent content exerts an inhibitory effect. This study provides a theoretical and quantitative tool for mechanism analysis and industrial process optimization of Al–V master alloy SHS production. Full article
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18 pages, 3534 KB  
Article
A Segmented Modified Zhou-Guan Model for Predicting Deformation Resistance of Copper-Bearing Steel and Insight into B2-FeCu Nanocluster Precipitation
by Dongqing Wang, Haitao Jiang, Yanxin Wu, Yulai Chen, Feida Chen, Xuejie Bai and Chenyu Wang
Metals 2026, 16(3), 345; https://doi.org/10.3390/met16030345 - 19 Mar 2026
Viewed by 282
Abstract
To solve the copper brittleness problem of copper-bearing steel, support the ferritic rolling process, and ensure the continuity of rolling across different phase regions, this study focused on copper-bearing steel with w(Cu) = 1.56%. Gleeble thermal simulation tests were conducted to investigate the [...] Read more.
To solve the copper brittleness problem of copper-bearing steel, support the ferritic rolling process, and ensure the continuity of rolling across different phase regions, this study focused on copper-bearing steel with w(Cu) = 1.56%. Gleeble thermal simulation tests were conducted to investigate the deformation behavior of Cu-bearing steel, and a corresponding deformation resistance model was established; meanwhile, the precipitation characteristics of the second phase were characterized by high-resolution transmission electron microscopy (HRTEM). The results show that the deformation resistance of copper-bearing steel increases with decreasing temperature and increasing strain rate, and its deformation resistance–temperature curve shows a unique bimodal trend, where the inflection point at 840 °C is attributed to the austenite–ferrite phase transformation, and the inflection point at 920 °C is caused by the precipitation of B2-FeCu ordered nanoclusters. HRTEM observations confirm that these nanoclusters are metastable phases with a size of less than 5 nm, and their orientation relationship with the matrix is (011)B2//(011)α-Fe and [001]B2//[001]α-Fe. The area fraction of B2-FeCu ordered nano-precipitates is in the range of 4.27% to 5.32%, which can reduce the lattice distortion of the matrix and thus decrease dislocation slip resistance. The segmented modified Zhou-Guan model has a coefficient of determination (R2) greater than 0.96 between the predicted and experimental values, which can accurately guide the optimization of low-temperature rolling process parameters for copper-bearing steel. Full article
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