Physics-Based and Data-Driven Modelling of Process-Structure-Property (PSP) Linkage of Structural Metals

A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Computation and Simulation on Metals".

Deadline for manuscript submissions: 25 June 2024 | Viewed by 299

Special Issue Editors

School of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, Australia
Interests: advanced manufacturing; friction and wear; severe plastic deformation; microstructure/texture characterisation; advanced modelling; deformation mechanism; mechanics of materials; residual stress analysis; X-ray/neutron/synchrotron diffraction; advanced and emerging materials; high-entropy alloys; corrosion and erosion of materials
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Special Issue Information

Dear Colleagues,

Metal forming/processing involves a series of thermo-mechanical deformations. Hierarchical structured materials develop during processing, which determines the final metal’s properties. An efficient approach to accelerate material development is to establish the Process–Structure–Property (PSP) linkages. This is beneficial to forward property prediction, which also enables finding optimal architected structures for given target properties in inverse material design. In addition, it accelerates the design, characterisation, evaluation, and deployment of metals.

Physics-based modelling has become an effective and efficient tool in material development due to increased computational resources, improved numerical algorithms, and progressed physical models. The application of machine learning and big data in materials science is unveiling hidden PSP relationships and can be harnessed in inverse design, e.g., optimizing processing and discovering materials. Combining materials informatics with computational materials science enables the closed-loop study of materials science, where computational materials science generates datasets and material informatics guides simulations.

This Special Issue aims to cover the latest advances in establishing PSP linkages using physics-based computational material science and machine learning methods. In this regard, original research papers, short communications, and review articles studying the following subjects are welcome in this Special Issue: metal forming/processing; microstructure characterisation; computational material science; machine learning; and data-driven materials design. 

Dr. Hui Wang
Dr. Lihong Su
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • metal forming/processing
  • plastic deformation
  • mechanical properties
  • mechanical testing
  • microstructure characterisation
  • computational material science
  • machine learning
  • data-driven material design

Published Papers (1 paper)

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Research

12 pages, 976 KiB  
Article
Hydrostatic Equation of State of bcc Bi by Directly Solving the Partition Function
by Yue-Yue Tian, Bo-Yuan Ning, Hui-Fen Zhang and Xi-Jing Ning
Metals 2024, 14(5), 601; https://doi.org/10.3390/met14050601 - 20 May 2024
Viewed by 143
Abstract
Body−centered cubic bismuth (Bi) is considered to be an enticing pressure marker, and, therefore, it is highly desirable to command its accurate equation of state (EOS). However, signifi­cant discrepancies are noted among the previous experimental EOSs. In the present work, an EOS of [...] Read more.
Body−centered cubic bismuth (Bi) is considered to be an enticing pressure marker, and, therefore, it is highly desirable to command its accurate equation of state (EOS). However, signifi­cant discrepancies are noted among the previous experimental EOSs. In the present work, an EOS of up to 300 GPa is theoretically obtained by solving the partition function via a direct integral ap­proach (DIA). The calculated results nearly reproduce the hydrostatic experimental measurements below 75 GPa, and the deviations from the measurements gradually become larger with increasing pressure. Based on the ensemble theory of equilibrium state, the DIA works with high precision particularly in high−pressure conditions, so the hydrostatic EOS presented in this work is expected to be a reliable pressure standard. Full article
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