Field Of Materials Research Research Articles

MXene-GaAs heterojunctions: interface modeling, electronic properties and optical absorption

MXene has gained favor in the field of material research and development due to its excellent two-dimensional structural properties, electronic structure properties, scalability, etc The heterostructures with MXene on one end not only make full use of the characteristics of MXene itself but also have the potential for transformative and application-rich materials when combined with other materials on the opposite end. Inspired by potentials in MXene-contained heterojunctions, this study focuses on the MXene-GaAs heterostructures to better understand their binding characters, structure features, and electron structures. First, the heterostructures (GaAs-Ti3C2O, GaAs-Ti3C2F, and GaAs-Ti3C2OH) are modeled aiming to provide comprehensive insights into their formation. The results reveal that the MXene layer in these heterostructures plays a crucial role in protecting the GaAs crystal, as evidenced by the substantial binding energy observed. Among the three heterostructures, GaAs-Ti3C2OH shows the closest proximity at the interface, attributed to the strong binding between MXene surfaces and Ga atoms. Various analyses, including binding energy calculations, charge polarization evaluations, interface electrostatic potential biases, and electron localization function studies, yield valuable insights into the formation process of these heterojunctions. Moreover, the incorporation of MXene layers enables electron conduction, effectively transforming the heterostructures into Schottky barriers. The density of states (DOS) analysis reveals pronounced peaks near the Fermi levels, indicating excellent electron mobility. Notably, all three heterostructures demonstrate weak magnetic features of the surface GaAs near the Fermi levels, imparted by the MXene layers. Lastly, optical simulations predict an absorption peak located around 4.3 eV for GaAs-Ti3C2OH.

Antimicrobial approaches for medical implants coating to prevent implants associated infections: Insights to develop durable antimicrobial implants

Advances in implantable technologies results from the rapid improvements in research in the fields of biomedical engineering, biomaterial science, and chemistry. No doubt, implantable technologies have provided greater comfort against several illnesses and diseases; however, pathogens adherence and biofilm formation are still the issues that need to be taken into consideration for further implant modifications. Pathogens colonize implants in a surface-dependent manner, so chances of pathogens' adhesion can be minimized by creating anti-adhesive and antimicrobial surfaces. The ongoing research is focused on the design of appropriate multifunctional coatings with a broad antimicrobial spectrum and high biocompatibility. Antimicrobial peptides in conjugation with polymers, nanoparticles, and other biocompatible agents can be potentially used to develop multifunctional coatings. Antibiotics-based coatings are the ultimate approach; however, optimizing the controlled release of antibiotics will be a breakthrough in this decade. Polymers unveil the extraordinary potential in implant coatings by increasing biocompatibility of coatings, offering the possibility for a triggered release of antimicrobial agents. An in-depth review of effective and biocompatible antimicrobial implant coatings is provided herein. We thoroughly discuss the remarkable antimicrobial agents and their compatibility with the host, including seemingly underexplored stability issues and providing an overlook on different methods of fabrication. The ever-growing materials research field can use this review's highlights to develop multifunctional implant coatings to reduce implant-associated infections.

CeO2 Nanoparticles to Promote Wound Healing: A Systematic Review.

Cerium (Ce) is a hot topic in the field of materials research due to its electronic layer structure and the unique antioxidant abilities of its oxide (CeO2 ). Cerium oxide nanoparticles (CeO2 NPs) demonstrate their potential as an antioxidant and antibacterial agent. Current research focuses on whether they can be used to promote wound healing and in what manner. This article provides a systematic review of the various forms of CeO2 NPs that are used in wound-healing materials over the past decade, as well as the effectiveness demonstrated by in vivo and in vitro experiments, with a focus on the relationship between concentration and effectiveness. CeO2 NPs are expected to become effective ingredients in dressings that require antibacterial, antioxidant, and wound healing promoting properties. This article serves as a reference for further research and clinical applications of nano-sized CeO2 in wound healing.

Fundamental design strategies for advancing the development of high entropy alloys for thermo-mechanical application: A critical review

Nearly three decades since the discovery of high entropy alloys (HEAs), it has greeted a broad interest in the field of materials research as a better alternative to conventional alloy materials due to the exceptional combinatorial properties they offer in terms of lightweight, high-specific strength in elevated temperatures, excellent oxidation and corrosion resistance properties (among others). Leveraging on the “four core effects”: high-entropy effect, sluggish/hysteretic diffusion effect, severe-lattice-distortion effect and cocktail effect which define the special features responsible for their outstanding properties, HEAs have been successfully employed for high-temperature applications in automobile and in the aerospace. An emerging sub-field of HEAs is the incorporation of a secondary strengthening phase that can be provided by the precipitation of intermetallic (IM) compounds to enhance the microstructure which will concomitantly affect the properties of a material (thermal, chemical and mechanical properties) for broader engineering applications. In this article, design concepts brewed from thermo-physical parameters calculation and computational thermodynamics using a CALPHAD-based tool were reviewed as fundamental design strategies in the development of IM-containing HEAs.

The multi-scale fusion reconstruction algorithm of CT and CL

Computed tomography (CT) is a widely used nondestructive testing (NDT) technique for material research, paleontology research and other fields. However, it is difficult for CT to reconstruct flat objects at high magnification ratios. Computed laminography (CL) enables high-resolution imaging for flat objects due to its unique scanning geometry. A challenging task for CL image reconstruction is to deal with the cross-section artifacts resulting from the incomplete projection data acquired from the CL scan. An effective multi-scale fusion reconstruction algorithm of CT and CL was proposed in this paper. The algorithm combining the advantages of the two scanning geometries, low-resolution CT data was used to compensate for the data missing in CL projection domain, and the cross-section artifacts were reduced. Experiments on paleontological fossils and multilayer printed circuit boards (PCB) were performed, where CT and CL data from different systems and scanning conditions. The results showed that the method can effectively suppress the cross-section artifacts of CL and obtain high-resolution reconstructed images.

Evaluation of bioaerosol inactivation ability of chitosan-based biohybrid nanofibers loaded with aloe vera mediated silver nanoparticles: Sustainable material for environmental protection

Development of multifunctional polymer-nanofibers with long-lasting antibacterial efficacy is significant to control the biohazards associated with airborne pathogenic microorganisms for sustainable environmental protection. Hence, in the present study biohybrid-nanofibers based on chitosan biopolymer embedded with green-synthesized silver-nanoparticles (AgNPs) were fabricated through electrospinning technique. The pathway of formation of AgNPs with an average size of 50 nm involves in the reduction of AgNO3 by aloe vera leaves extract, which acts as both reducing and capping agent. Morphological examination confirmed the uniform structure of the scaffolds (diameter varied from 32.3 to 273.1 nm) without considerable beads and furthermore, AgNPs play an important role in controlling their average diameter. Fibers with nanosilver exhibited adequate surface area (15.6–83.1 m2/g) for releasing the essential functional groups to prevent the broad spectrum of microbes. No evidence of cytotoxicity of these scaffolds was observed in the cell-viability test, suggesting their biocompatible nature. Porosity measurement of various surface-layer of these fibers by Image-J analysis exhibited their controlled porous structure, favorable for filtration applications. Microbial interaction with these fibers resulted in an excellent inhibition on the growth of the pathogens and fibers entrapped with maximum content of AgNPs proved to have enhanced antimicrobial action, which further confirmed by flow-cytometric analysis. Novel approach based on the application of green electrospinning technique for the formation of cost-effective scaffolds loaded with plant-mediated nanosilver, with a view on mechanistic aspect on their antimicrobial action and, further exploring their reliability in filtration applications, paving the way for innovation in the field of material research.

Global trends in the research of biodegradable biomedical magnesium-based materials: a bibliometric analysis

Background: In recent years, there has been a notable surge in the interest surrounding biodegradable materials, particularly in the context of biomedical applications. This has led to a significant rise in the number of research studies focusing on the utilization of biodegradable magnesium-based materials in the field of biomedicine. However, a dearth of comprehensive assessment exists regarding the body of research concerning biodegradable biomedical magnesium-based materials. In this study, a bibliometric approach was used to illustrate the current state of research and global trends pertaining to biodegradable magnesium-based materials for biomedical applications.Methods: We conducted a search of the Web of Science core collection database for the past decade (2013–2022). VOSviewer software and the bibliometric online analysis platform were employed for bibliometric analysis and visualization.Results: Correspondingly, 1267 documents were retrieved. We discovered that the number of papers in the field of degradable biomedical magnesium-based materials research has increased annually. In addition, China and the Chinese Academy of Sciences have published the largest number of papers in the field of biodegradable biomedical magnesium-based materials. Papers related to biodegradable magnesium-based materials for biomedical use were mainly published in acta biomaterialia, materials science and engineering c-materials for biological applications and materials journals. Keyword co-occurrence analysis showed that “corrosion"and “mechanical-properties” appear more frequently. The top 10 common keywords include corrosion, mechanical-properties, microstructure, biocompatibility, behavior, magnesium, magnesium alloys, degradation magnesium alloy, in vitro.Conclusion: Research on biodegradable magnesium-based materials for biomedical use continues to increase steadily. China maintains a leading position in the world, and the Chinese Academy of Sciences represents a notable contribution to the research of biodegradable magnesium-based materials for biomedical use. Subsequently, “corrosion” and “mechanical-properties” were identified as the current research hotspots in the area of biodegradable biomedical magnesium-based materials.

Halogen Mediated Electrochemical Synthesis: Facial Accesses to Dibenzothiophenes and Spirooxindoles

Electrochemical oxidative transformations using a halide as an oxidative mediator are useful for facial accesses to a variety of important organic compounds in the material and biological research fields. We have revealed the unique mediatory ability of anodically generated bromonium ion equivalent in the electrochemical synthesis of the thienoacenes [1].In this presentation we will report two types of transformation using the mediatory system, which enable the formation of a series of crucial compounds. The first one is electrochemical synthesis of dibenzothiophene derivatives, one of the most important frameworks in the field of material science and pharmaceuticals. Several bis(biaryl) disulfides are efficiently converted to dibenzothiophenes by the electrochemical oxidation [2]. The second is the semi-pinacol rearrangement of tetrahydro-β-carbolines affording 3-spirooxindoles, which have unique three-dimensional structures and potent bioactivity [3]. In these reactions, the anodically generated bromonium ion equivalent as a halogen mediator was essential and efficiently promoted the transformation.[1] Mitsudo, K.; Matsuo, R.; Yonezawa, T.; Inoue, H.; Mandai, H.; Suga, S: Angew. Chem. Int. Ed. 2020, 59, 7803−7807.[2] Mitsudo, K.; Tachibana, Y.; Sato, E.; Suga, S: Org. Lett. 2022, 24, 8547−8552.[3] Sato, E.; Kangawa, S.; Mitsudo, K.; Suga, S. Chem. Lett. 2022, 51, 1067–1069.

Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity.

Dihydroxylammonium 5,5'-biotetrazolium-1,1'-diolate (TKX-50) has two important properties of typical azole energy-containing ionic salts, including high energy and safety. Therefore, in today's era where more emphasis is placed on explosive performance and explosive detonation control conditions, TKX-50 is a very important object of research, and its reaction process in the initial stage of detonation is gradually receiving more and more attention from researchers in the field of energy-containing materials research. In this paper, based on first-principles density-functional theory (DFT), the mechanism of chemical bond breakage of TKX-50 under pressure was determined based on the analysis of the strength and stability of chemical bonds inside the TKX-50 molecules using Raman spectroscopy relative intensity analysis. The results show that TKX-50 is dominated by N-H bond breaking and followed by H-O bond breaking in the initial reaction stage. These reactions lead to the reorganization and structural changes within the molecule, which eventually lead to the decomposition of TKX-50.

Multidirectional Solvent-Induced Structural Transformation in Designing a Series of Polycatenated Cobalt(II) Coordination Polymers: Impact on Carbon Dioxide and Hydrogen Uptake.

Coordination polymers with external stimuli-responsive structural transformation acquired paramount importance in the advanced material research field due to their eye-catching application to deal with the existing challenging issue, and Co(II) metal complex with d7 electronic configuration is a renowned candidate for kinetic accountability and has the potentiality of structural transformation. Bearing these factors in mind, here, a Co(II) congener of a previously reported high hydrogen-adsorbing Cu(II)-based coordination polymer (CP), {[Cu(4-bpe)(2-ntp)]}n [where 2-ntp2- = 2-nitroterephthalate and 4-bpe = 1,2-bis-(4-pyridyl)ethane], has been synthesized to study the metal change impact on hydrogen adsorption and solvent-induced structural transformation with their impact on hydrogen uptake. This modified framework has a 2D + 2D → 3D inclined polycatenated framework as comparable to our previously published Cu(II) framework. Here, on the variation of different solvents, the labile Co(II)-containing framework exhibits a structural change through single-crystal to single-crystal (SC-SC) structural transformation and results in three new framework structures. All four frameworks are structurally characterized by elemental analysis, IR, PXRD, TGA, and single-crystal X-ray diffraction. The desolvated parent framework with exposed metal centers exhibits excellent results of H2 adsorption of 1.3 wt % (145 cc/g) at 77 K and pressure of 1 bar with structural sustainability and CO2 uptake of 130 cc/g at 195 K and 1 bar. For the other three solvent-mediated structural derivatives, H2 and CO2 adsorption have been studied, and the results are correlated with their structure.

Analysing the impact of cloth fabrics on skin temperature during and after exercise using an FDM model

This study presents a 1D finite difference model that examines the influence of cloth fabrics on skin temperature during and after exercise, considering the complex nature of the human body and its susceptibility to infections and viruses. The aim is to design comfortable, high-quality fabrics that minimize potential issues caused by body temperature fluctuations. The model incorporates various physical, physiological, and thermal parameters of cloth to develop protective clothing suitable for exercise. Numerical results were compared to previous studies that analyzed skin temperature without clothing to validate the model’s accuracy. The findings indicate a minimal difference in skin temperature when wearing cotton and polyester cloth, with polyester fabric demonstrating superior characteristics such as stretchability, durability, and sweat resistance. The thermal information obtained from this model can be utilized to design appropriate clothing for diverse weather conditions, ultimately enhancing the performance and comfort of athletes, military personnel, and individuals engaged in physically demanding work. Additionally, the model can aid in developing thermal stress protocols for infection treatment and provide guidelines for physical activity to promote healthy living. This research contributes to the field of materials research by offering valuable insights into the design and development of protective clothing for exercise. By understanding the impact of cloth fabrics on skin temperature, advancements can be made in creating clothing that optimizes human comfort and performance.

Fractal characteristics for coal chemical structure: Principle, methodology and implication

Despite coal chemical structure's importance as the organic backbone for hydrocarbon production, the fractal characteristics for coal chemical structure remains unexplored. Therefore, this paper proposed a novel method to calculate the fractal dimension Df for coal chemical structure. The principle and methodology of the proposed method were deduced and summarized in detail. This method was applied to calculate the fractal dimension Df for the coal chemical structure from lignite to anthracite. The research results indicate that the fractal dimension Df for coal chemical structure decreases first and then increases with coalification. The turning point of the variation trend of fractal dimension Df and coalification corresponds to the second coalification jump (maximum vitrinite reflectance Ro, max = 1.30 %). This study has achieved the micro characterization on coal chemical structure at molecular scale, which has potential application value on the functional properties analysis and molecular synthesis design of coal-based material research fields.

Investigation of road performances of rejuvenated styrene-butadiene-styrene modified asphalt mixture

Exploring the effective recycling of waste styrene-butadiene-styrene block copolymer (SBS) modified asphalt mixture is the difficulty and hotspot in the field of road materials research. Common rejuvenation method and reactive rejuvenation method were used to recover the road performances of aged SBS modified asphalt mixture (ASMBM) in this paper. The recovery effect of high- and low-temperature performance, fatigue resistance and water stability for ASMBM after rejuvenation was studied, and the road performance development of ASMBM after reactive rejuvenation in the early stage was also investigated. The results show that reactive rejuvenation method could significantly enhance the Marshall stability and rutting resistance of rejuvenated ASMBM, and further improve its low-temperature cracking resistance as compared with common rejuvenation method, which attributes to the reconstruction of aged SBS cross-linking structure and its improvement on the interface stability of rejuvenated mixture. Meanwhile, the fatigue life of reactive rejuvenated ASMBM under strain level of 400 με is 26.6 % higher than that of common rejuvenated mixture. Water stability test results show that reactive rejuvenation is more beneficial to restore the water-immersed Marshall stability and Hamburger rutting resistance of ASMBM. Furthermore, the road performances of reactive rejuvenated ASMBM have a further improvement with the extension of time in the early stage after rejuvenation, its Marshall stability, the freeze-thaw splitting strength ratio and water-immersed Marshall stability could restore to the initial level of fresh mixture. Thus, reactive rejuvenation method is more conducive to realizing the high-performance recycling of waste SBS modified asphalt mixture and enhance its recycling value.

Data augmentation in material images using the improved HP-VAE-GAN

Since the rapid development of computer vision relies heavily on large-scale labeled data and high-performance computing equipment, therefore, image recognition in small sample datasets faces several challenges, such as difficult to implement model training. In the field of materials research, the cost of collecting image data is relatively high. In order to solve the problem of insufficient image samples in material research, an improved HP-VAE-GAN is proposed to generate material images to achieve data augmentation. HP-VAE-GAN is a single sample generation model that consists of Patch-VAE and Patch-GAN. The improved HP-VAE-GAN introduces the attention mechanism into model. By adding CBAM (Convolutional Block Attention Module) to the encoder of Patch-VAE, the feature extraction and representation capabilities of the network are further improved. Use this model to train a single image, and then generate a certain number of samples to achieve the expansion of the training set. For the classification of ultrahigh carbon steel microstructure images, experiments show that the accuracy of classification model (MobileNet, ResNet50 and VGG16) trained with real images plus generated images is improved obviously. In addition, the effectiveness of the improved HP-VAE-GAN is verified by experiments on texture images similar to material images.

Electron crystallography and dedicated electron-diffraction instrumentation.

Electron diffraction (known also as ED, 3D ED or microED) is gaining momentum in science and industry. The application of electron diffraction in performing nano-crystallography on crystals smaller than 1 µm is a disruptive technology that is opening up fascinating new perspectives for a wide variety of compounds required in the fields of chemical, pharmaceutical and advanced materials research. Electron diffraction enables the characterization of solid compounds complementary to neutron, powder X-ray and single-crystal X-ray diffraction, as it has the unique capability to measure nanometre-sized crystals. The recent introduction of dedicated instrumentation to perform ED experiments is a key aspect of the continued growth and success of this technology. In addition to the ultra-high-speed hybrid-pixel detectors enabling ED data collection in continuous rotation mode, a high-precision goniometer and horizontal layout have been determined as essential features of an electron diffractometer, both of which are embodied in the Eldico ED-1. Four examples of data collected on an Eldico ED-1 are showcased to demonstrate the potential and advantages of a dedicated electron diffractometer, covering selected applications and challenges of electron diffraction: (i) multiple reciprocal lattices, (ii) absolute structure of a chiral compound, and (iii) R-values achieved by kinematic refinement comparable to X-ray data.

Preface

The 4th International Conference on Materials Research and Innovation (ICMARI 2022) was held on 15th - 16th December 2022, Bangkok, Thailand. The conference was conducted in frontier research on materials research and Innovation including Rubber and Polymeric Materials, Bio- and Circular-materials, and Special Advanced Materials. This 4th ICMARI was announced to focused on the Bio-Circular-Green Economic Model or BCG. The BCG has been applied by the research community and promoted by the Thai government as a new economic model for inclusive and sustainable growth, this BCG model also conforms with the UN Sustainable Development Goals (SDGs). The 4th ICMARI was a great opportunity for all participants to exchange knowledge and strengthen the research collaboration not only in ASEAN but also around the world. We hoped that the participants are fruitful by plenary and invited speakers from novel knowledge to new applications in the field of materials research and innovation.Thank you all for participating,ICMARI 2022 Organizing CommitteeList of Organizing Committee, Peer review statement are available in this Pdf.

The automatic measurement system for internal stress of acrylic

The manual measurement system for internal stress of acrylic was designed and realized, which is based on photo-elastic principle and spectrometric method. The manual measurement system can support mobile and quantitative measurement, and plays an important role in the fields of material research and engineering project. With the extensive application of the stress measurement system, automation is required to promote measuring efficiency and overcome the shortcomings of the manual measurement system. Electric control turntable was chosen as the key component for automation and adopted in the automatic measurement system. The automatic measurement system is controlled by program and user interface for operation has also been improved. The automatic measurement system has been realized and used for measuring internal stress of acrylic in the laboratory, which achieved the expected effect. The components of the automatic measurement system, the user interface for control program and data processing, and the stress measurements of the acrylic samples by the automatic measurement system are discussed in this article.

Materials informatics for developing new restorative dental materials: A narrative review

Materials informatics involves the application of computational methodologies to process and interpret scientific and engineering data concerning materials. Although this concept has been well established in the fields of biology, drug discovery, and classic materials research, its application in the field of dental materials is still in its infancy. This narrative review comprehensively summarizes the advantages, limitations, and future perspectives of materials informatics from 2003 to 2022 for exploring the optimum compositions in developing new materials using artificial intelligence. The findings indicate that materials informatics, which is a recognized and established concept in the materials science field, will accelerate the process of restorative materials development and contribute to produce new insights into dental materials research.

Material research in the design field: a gender gap analysis

Within the framework of technology, design and material production are profoundly influenced by the class relations of production. Artifacts and objects are no longer seen as separate from society, but as part of the social matter that regulates and holds the society together. The development and use of materials are also closely connected to the social systems in which they operate. To date we have few empirical observations in this regard, especially on the investigation of the female presence in the discourse of material design. The connection between material research and gender has recently become an issue of social and technological relevance, as there is a lack of data on women activity. In addition, the communicative aspect of the material design approach will be analysed through forms of social constructivism, which foresees people working together constructing artifacts, and their potential to enhance the perception of matter in its forthcoming dimension. This contribution aims to investigate the approaches of women designers to the innovation of materials. It will start from an historical perspective via figures such as the Italian architect Anna Castelli Ferrieri up to the new generations of women designers and researchers who consider specific factors for each study and observation, applying what is called the “clinical approach”. We will encompass selected examples of good practices of social sustainability through the inclusion of women in the field of material research and production. In addition, we consider the profound impact of contemporary good design practices, questioning what impact they have on social life and the environment, due to the relationships with our artifacts and habitat under the climate crisis. Overall, we propose that gender issues are finally embedded in the design discourse and some results are emerging.

Optimal design of thermoelectric properties of graphene nanoribbons with 5-7 ring defects based on Bayesian algorithm

Owing to the huge degree of freedom of structure, the optimal design of thermoelectric conversion performance of defective graphene nanoribbons is one of the difficulties in the field of materials research. In this paper, the thermoelectric properties of graphene nanoribbons with 5-7 ring defects are optimized by using non-equilibrium Green's function combined with Bayesian algorithm.The results show that the Bayesian algorithm is effective and advantageous in the search of graphene nanoribbons with 5-7 ring defects with high thermoelectric conversion efficiency. It is found that the single configuration with the best thermoelectric conversion performance can be quickly and accurately searched from 32896 candidate structures by using Bayesian algorithm. Even in the least efficient round of optimization, only 1495 candidate structures (about 4.54% of all candidate structures) need to be calculated to find the best configuration. It is also found that the thermoelectric value <i>ZT</i> (about 1.13) of the optimal configuration of 5-7 ring defective graphene nanoribbons (21.162 and 1.23 nm in length and width, respectively) at room temperature is nearly one order of magnitude higher than that of the perfect graphene nanoribbons (about 0.14). This is mainly due to the fact that the 5-7 ring defects effectively inhibit the electron thermal conductivity of the system, which makes the maximum balance between the weakening effect of the power factor and the inhibiting effect of the thermal conductivity (positive effect). The results of this study provide a new feasible scheme for designing and fabricating the graphene nanoribbon thermoelectric devices with excellent thermoelectric conversion efficiencies.