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Advanced Computational Technologies for Simulation of the Structure of Solids Ceramics

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A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced and Functional Ceramics and Glasses".

Deadline for manuscript submissions: closed (20 May 2022) | Viewed by 8220

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Dr. Arman Shojaei

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Institute of Materials Research, Materials Mechanics, Helmholtz-Zentrum Geesthacht, Max-Planck-Str. 1, 21502 Geesthacht, Germany
Interests: computational mechanics; numerical methods; fracture mechanics; nonlocal theories; peridynamics; computational materials science

Special Issue Information

Dear Colleagues,

Solid ceramics denotes a large class of ceramic materials widely used in an extensive range of applications. Structural ceramics mainly consist of oxides, nitrides, borides, and carbides. A remarkable feature is their great maintenance in terms of mechanical strength and dimensional tolerances at high-temperature conditions, making them very attractive for high-temperature applications. They find applications in many industrial components, more specifically, in different wear applications, bearings, sealing devices and inserts for cutting of metals, and orthopedic as well as dental implants. This family includes both monolithic ceramics and ceramic–ceramic composites. The microstructure of ceramics plays a crucial role on their properties. Therefore, novel computational techniques that are able to simulate and predict composite properties, from microstructure and constituting phases, are of great importance. Investigation into microstructure–property relations, with various computational techniques, has been a broad area of research for scientists in computational materials science in the past few decades. In particular, in recent years, neural networks and machine leaning algorithms combined with advanced multiscale computational techniques have appeared as the most exciting and promising tools in this area.

In this Special Issue, we aim at highlighting and discussing on modern trends of computational technologies applicable to simulation of the structure of solids ceramics.

It is my pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.

Dr. Arman Shojaei
Guest Editor

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. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

structural ceramics
composites
microstructure–property relations
multiscale modeling
neural networks
machine learning
molecular dynamics
phase field modeling
peridynamics
advanced and combined techniques

Published Papers (4 papers)

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Research

20 pages, 5961 KiB

Open AccessArticle

Fabrication of Polycrystalline Cubic Boron Nitride/Metal Composite Particles by Surface Metallization Followed by Electroless Deposition Technique

by Walid Mohamed Daoush, Turki Saad Alkhuraiji and Abdulrahman Dohymish Alshammri

Materials 2021, 14(24), 7906; https://doi.org/10.3390/ma14247906 - 20 Dec 2021

Cited by 1 | Viewed by 1711

Abstract

Polycrystalline cBN/copper composite abrasive particles were prepared by an electroless powder coating process. Ti metallization and tin/silver metallization techniques were used to improve the coating process by depositing an autocatalytic metallic layer on the surface of the cBN particles. Metallized, as well as un-metallized, cBN particles were further coated by copper using electroless deposition. Electroless copper coating of un-metallized and metallized cBN particles by 90 wt.% of copper were achieved. The surface morphology, the composition and the crystalline phase identifications of the metallized cBN particles, as well as the 10 wt.% cBN /copper composite powders, were investigated by field emission scanning electron microscopy, an energy-dispersive spectrometer and an X-ray diffractometer. The results show that the surface of the Ti metalized and tin/Ag-metallized cBN particles were covered by the nanosized Ti or Ag layer, respectively, which enhanced the deposition of the copper during the electroless deposition bath. The results also showed that the deposited layer on the metallized cBN particles was composed mainly of metallic copper. The produced 10 wt.% cBN/copper composite particles also underwent thermo-gravimetric analysis to investigate its stability at high temperature. It was revealed that the Ti-metallized cBN/copper composite powder has higher stability at 800 °C under the environmental conditions than the tin/silver-metallized and the un-metallized cBN/copper composite particles, respectively. Full article

(This article belongs to the Special Issue Advanced Computational Technologies for Simulation of the Structure of Solids Ceramics)

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20 pages, 26656 KiB

Open AccessArticle

The Effect of Solid-State Processes and Heat Treatment on the Properties of AA7075 Aluminum Waste Recycling Nanocomposite

by Huda Mohammed Sabbar, Zulkiflle Leman, Shazarel Shamsudin, Suraya Mohd Tahir, Che Nor Aiza Jaafar, Azmah Hanim Mohamed Ariff, Nur Ismarrubie Zahari and Mohammed H. Rady

Materials 2021, 14(21), 6667; https://doi.org/10.3390/ma14216667 - 05 Nov 2021

Cited by 4 | Viewed by 1568

Abstract

Direct solid-states, such as hot extrusion and equal channel angular pressing (ECAP), are alternative and efficient solid-state processes for use in recycling aluminium scrap. These processes utilise less energy and are eco-friendly. Ceramic particles such as ZrO₂ are suggested as alternatives in the production of metal composites. This study investigated and optimised the effects of various parameters of reinforced ZrO₂ nanoparticles on the mechanical and physical properties via response surface methodology (RSM). These parameters were the volume fraction (VF), preheating temperature (T), and preheating time (t). The effects of these parameters were examined before and after the heat treatment condition and ECAP. Each parameter was evaluated at varying magnitudes, i.e., 450, 500, and 550 °C for T, 1, 2, and 3 h for t, and 1, 3, and 5% for VF. The effect that process variables had on responses was elucidated using the factorial design with centre point analysis. T and VF were crucial for attaining the optimum ultimate tensile strength (UTS) and microhardness. Reducing VF increased the mechanical properties to 1 vol% of oxide. The maximum hardness of 95 HV was attained at 550 °C, 1.6 h, and 1 vol% ZrO₂ with a density of 2.85 g/cm³ and tensile strength of 487 MPa. UTS, density, and microhardness were enhanced by 14%, 1%, and 9.5%, respectively. Additionally, the hot extrusion parameters and ECAP followed by heat treatment strengthened the microhardness by 64% and density by 3%. Compression pressure and extrusion stress produced in these stages were sufficient to eliminate voids that increased the mechanical properties. Full article

(This article belongs to the Special Issue Advanced Computational Technologies for Simulation of the Structure of Solids Ceramics)

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25 pages, 8322 KiB

Open AccessArticle

Production of Aluminum AA6061 Hybrid Nanocomposite from Waste Metal Using Hot Extrusion Process: Strength Performance and Prediction by RSM and Random Forest

by Muntadher Sabah Msebawi, Zulkiflle Leman, Shazarel Shamsudin, Suraya Mohd Tahir, Che Nor Aiza Jaafar, Azmah Hanim Mohamed Ariff, Nur Ismarrubie Zahari and Abdallah Abdellatif

Materials 2021, 14(20), 6102; https://doi.org/10.3390/ma14206102 - 15 Oct 2021

Cited by 3 | Viewed by 1598

Abstract

To date, various studies have analysed the effects of reinforced ceramic on the properties of AA6061 recycled aluminum alloy chips, such as the tensile strength and fractography. However, a comprehensive analysis of the properties of hybrid composite with the addition of nano-silica oxide and nano-copper oxide reinforcements is still very limited. Therefore, this study aimed to optimise the factors comprising the preheating temperature (PHT), preheating time (PHti), and volume fraction (VF) of reinforcements then determine their impacts on the physical and mechanical properties of the recycled solid-state extruded composite aluminum chips. A total of 45 specimens were fabricated through the hot extrusion technique. The response surface methodology (RSM) was employed to study the optimisation at a PHT range of 450–550 °C with PHti of 1–3 h and VF of 1–3 vol% for both reinforcements (SiO₂ and CuO). Moreover, a random forest (RF) model was developed to optimize the model based on a metaheuristic method to improve the model performance. Based on the experimental results the RF model achieve better results than response surface methodology (RSM). The functional quadratic regression is curvature and the tested variable shows stable close data of the mean 0 and α2. Based on the Pareto analysis, the PHT and VF were key variables that significantly affected the UTS, microhardness, and density of the product. The maximum properties were achieved at an optimum PHT, PHti, and VF of 541 °C, 2.25 h, 1 vol% SiO₂ and 2.13 vol% CuO, respectively. Furthermore, the morphological results of the tensile fractured surface revealed the homogenous distribution of nano-reinforced CuO and SiO₂ particles in the specimens’ structure. Full article

(This article belongs to the Special Issue Advanced Computational Technologies for Simulation of the Structure of Solids Ceramics)

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9 pages, 2476 KiB

Open AccessArticle

Effect of BaTiO₃ on the Properties of PVC-Based Composite Thick Films

by Sarir Uddin, Naheed Akhtar, Sumbal Bibi, Abid Zaman, Asad Ali, Khaled Althubeiti, Hussein Alrobei and Muhammad Mushtaq

Materials 2021, 14(18), 5430; https://doi.org/10.3390/ma14185430 - 19 Sep 2021

Cited by 7 | Viewed by 2464

Abstract

Flexible PVC/BT (Polyvinyl chloride/Barium Titanate) composite thick films with (0–30%) volume fractions of BaTiO₃ were fabricated via the solution casting method. The effects of BaTiO₃ filler on the phase, microstructure and dielectric properties of composite films were investigated. The XRD results revealed that BT particles are embedded in the PVC matrix with no chemical reaction taking place between the two phases. It was observed that the glass transition temperature of PVC had increased with the addition of BT. The frequency dispersion in the dielectric constant versus temperature curves indicated the relaxor nature of the composites. The dielectric constant (ε_r) measured at 40 °C, increased from 7.6 for pure PVC to 16.1 for 30% of BaTiO₃ content in PVC polymer matrix. It is suggested that BaTiO₃ ceramic powder enhanced the dielectric properties of PVC and may be used as a flexible dielectric material. Full article

(This article belongs to the Special Issue Advanced Computational Technologies for Simulation of the Structure of Solids Ceramics)

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