Materials Science - Science topic

Deep materials informatics is a rapidly evolving field that employs deep learning techniques to develop predictive models for materials science. It involves the use of large datasets, advanced algorithms, and highperformance computing to extract key features from complex materials data. The aim of deep materials informatics is to speed up the proce...

This review examines the potential of perovskite photovoltaic (PV) cells for clean hydrogen production, a vital component of the global shift toward sustainable energy. Utilizing a systematic review of literature from the Scopus and Web of Science databases, this study provides recent advancements and identifies persistent challenges in the applica...

In the flourishing field of materials science and engineering, ionic liquids (ILs) stand out for their advantageous features, unique tunable properties, and environmentally friendly attributes, making them ideal candidates for various applications. However, the enormous diversity of ILs presents a challenge that has traditionally been addressed thr...

Research into the atomic structures of metal materials in the liquid state, their dynamic evolution versus temperature until the onset of crystal nucleation has been a central research topic in condensed matter physics and materials science for well over a century. However, research and basic understanding of the atomic structures of liquid metals...

We introduce an efficient method for simulating Coulomb systems confined by conducting planar surfaces. The new approach is suitable for both coarse-grained models and all-atom simulations of ionic liquids between polarizable metal electrodes. To demonstrate its efficiency, we use the new method to study the differential capacitance of an ionic liq...

The discovery of van der Waals superconductors in recent years has generated a lot of excitement for their potentially novel pairing mechanisms. However, their typical atomic-scale thickness and micrometer-scale lateral dimensions impose severe challenges to investigations of pairing symmetry by conventional methods. We demonstrate an improved tech...

Coatings play a key role in modern industry, enhancing the performance of materials. The diversity of their applications and constant progress make them a central area of research and development in materials science and engineering. In this manuscript, we examined some recent works of high-entropy coatings deposited by magnetron sputtering. The fi...

The aim of this tutorial review is to explore and highlight key aspects of modern porous materials, with a particular focus on MOFs. Basic definitions and classification of this class of materials are provided, alongside an overview of its dynamic development in recent years. The structural composition of these materials is discussed in relation to...

The demand for the development of sustainable manufacturing processes is enhanced by the necessity to optimize polymer composites, particularly in the context of fused deposition modeling (FDM). This research aims to enhance sustainable polymer composites to improve the surface metamorphosis during FDM processes. Various eco-friendly polymer matric...

The Basics of Science Education course plays an important role in equipping prospective teacher students with basic concepts of Natural Science which build their understanding of nature and scientific principles. In an effort to support the sustainability of the coastal environment, the integration of sustainable maritime education in learning is a...

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. However, most current methods for crystal structure prediction are computationally expensive, slowing the pace of innovation. Seeding structure prediction algorithms with quality generated ca...

The unique acidity, redox properties, and catalytic characteristics of polyoxometalates(POMs) provide an environment for the in situ transformation of organic molecules. The hydrothermal in situ ligand transformation has shown fascinating appeal in the synthesis of new POM‐based metal‐organic hybrid compounds due to its effectiveness, simplicity, a...

Lattice structures have significant potential in engineering, allowing for material and weight reduction while maintaining desired mechanical properties. This versatility is crucial in applications ranging from aerospace to medical implants, where customisability and efficiency are essential. This study investigates the mechanical performance of fo...

This paper is dedicated to soft grippers, robot tools with a wide application area in various activities where an accurate and delicate grabbing movement is required such as routine manipulation tasks with fragile objects, operation in unknown or dangerous environments, and manipulation with unknown shape objects, as well as exploring the depths of...

The nonlocal operators have found applications in various areas of contemporary science. The anomalous diffusion phenomena have been modelled by the fractional Poisson boundary-value problem. Electromagnetic fluids have been described by fractional differential equations. The fractional differential operators have found applications in material sci...

The preservation of cultural heritage artifacts presents complex challenges that require innovative solutions to prevent deterioration and extend the lifespan of priceless historical objects. Advances in materials science are revolutionizing the field of cultural heritage conservation and restoration, offering new techniques and materials that enha...

Motivated by important applications in materials science, geo- and biophysics, we develop a theory answering the question of how a growing dendritic crystal reaches its stationary crystallization velocity . To do this, we compare existing theoretical approaches, computational simulations and experimental data for crystal growth laws at certain time...

One of the appealing areas for fundamental research from the perspective of materials science is the influence of dynamic shock waves on crystals and the study of their structural responses. In the current work, we have reported the impact of shock waves on technologically important lithium sulphate monohydrate (LSM) single crystal with (101) orien...

Equations of State model relations between thermodynamic variables and are ubiquitous in scientific modelling, appearing in modern day applications ranging from Astrophysics to Climate Science. The three desired properties of a general Equation of State model are adherence to the Laws of Thermodynamics, incorporation of phase transitions, and multi...

Rheological properties are pivotal determinants across the materials range, spanning solids, liquids, and gases, elucidating their nuanced deformation responses under applied stresses. This knowledge assumes paramount significance in biocomposite material development, guiding the strategic formulation of these advanced materials. The intricate land...

This work presents a novel comprehensive comparative study of different machine learning models on the flexural behaviour of multi-walled carbon nano-tubes reinforced poly lactic acid fabricated through material extrusion. The investigation focused on key printing parameters, including layer thickness, raster orientation, and feed rate. The fabrica...

Pancreatic cancer, a highly malignant solid tumor of the digestive tract, is characterized by its challenging early detection, rapid metastatic potential, high degree of aggressiveness, and notably low postoperative survival rate. Current therapeutic optionssuch as surgery, chemotherapy, or radiotherapyoften prove inadequate due to the diseases adv...

The objective of this book is to bring together the latest research and developments in functionally graded nano and microstructures and their applications in advanced technologies. This book covers a range of mathematical and computational topics including different analytical, semi-analytical, and numerical procedures along with their correspondi...

This study aims to increase stakeholders' ambition to track and control chemicals in the building and construction sector. The study identifies chemicals of concern and alternatives in the building construction sector, highlighting challenges and linkages in the building life cycle and opportunities for increasing circularity. The study covers chem...

We introduced a novel machine-learned interatomic potential (MLIP) by thoroughly discussing the step–by–step MLIP creation process using precise but limited data. This study explored the mechanical properties of hexagonal boron nitride (hBN) nanosheets and addressed the challenges of accurately predicting their structural properties. We explored th...

Machine learning (ML) techniques have made enormous progress in the field of materials science. However, many conventional ML algorithms operate as “black‐boxes”, lacking transparency in revealing explicit relationships between material features and target properties. To address this, the development of interpretable ML models is essential to drive...

Multi-Principal Element Alloys (MPEAs) have emerged as an exciting area of research in materials science in the 2020s, owing to the vast potential for discovering alloys with unique and tailored properties enabled by the combinations of elements. However, the chemical complexity of MPEAs poses a significant challenge in visualizing composition–prop...

Recent developments in graph neural networks show promise for predicting the occurrence of abnormal grain growth, which has been a particularly challenging area of research due to its apparent stochastic nature. In this study, we generate a large dataset of Monte Carlo simulations of abnormal grain growth. We train simple graph convolution networks...

Bismuth chalcogenides have a groundbreaking impact on materials science because of their potential applications in spintronics and optoelectronics, especially for their properties as topological insulators. Investigation of the biocompatibility of the electrode material at the tissue/electrode interface is essential to assess the use of topological...

In this research paper, we explore the application of quantum computing technologies, specifically the Variational Quantum Eigensolver, to accurately determine the ground state energies of small molecules, especially for molecules with higher bond orders. Our study showcases the feasibility and accuracy of quantum algorithms in performing complex q...

The separation of hydrogen isotopes is an important process in materials science, medicine, and nuclear energy. In this study, we attempted hydrogen isotope separation via electrolysis and H–D exchange reaction using LiCl–KCl–LiH–LiD molten salt at 673 K. In the molten-salt system, H and D exist as H⁻ and D⁻, respectively, unlike that in the conven...

This study aims to increase stakeholders' ambition to track and control chemicals in the building and construction sector. The study identifies chemicals of concern and alternatives in the building construction sector, highlighting challenges and linkages in the building life cycle and opportunities for increasing circularity. The study covers chem...

Los aerogeles a base de nanocelulosa han emergido como materiales prometedores en diversas aplicaciones industriales debido a sus propiedades excepcionales, como alta porosidad, baja densidad y capacidad de absorción. Estos materiales, derivados del biopolímero más abundante en la Tierra, la celulosa, presentan ventajas significativas en la búsqued...

In present study, we adopt molecular dynamics simulations to investigate the influences of typical planar defects, including twin boundaries (TBs), stacking faults (SFs) and grain boundaries (GBs), on the mechanical properties of fcc copper nanoparticles. Groups of nanoparticle samples, including defect-free single crystal and those with specific d...

Carbon dioxide (CO 2) adsorption on solid sorbents represents a promising technology for separating carbon from different sources and mitigating anthropogenic emissions. The complete integration of carbon capture technologies in various industrial sectors will be crucial for a sustainable, low-carbon future. Despite developing new sorbents, a compr...

CrCoNi medium-entropy alloys (MEAs), characterised by their high configurational entropies, have become a research hotspot in materials science. Recent studies have indicated that MEAs exhibit short-range order (SRO), which affects their deformation mechanisms. In this study, the micro-mechanisms of SRO within the framework of mesoscale continuum m...

Autocatalytic reaction present a significant opportunity for the precise spatial and temporal control of dynamic materials, mimicking the characteristics of living matter within autonomous chemical systems. Herein, we have crafted an autocatalytic chemical reaction network (CRN) designed to be incorporated into a dynamic system, allowing for effici...

In recent years, nanoscience and nanotechnology have gained prominence within materials science, offering new opportunities for cancer diagnosis and treatment. Advances in nanotechnology have allowed for the manipulation and size control of nanomaterials, leading to the development of a wide range of materials. The use of nanomaterials as chemical...

Continuous robots have attracted more and more attention from the robotics community due to their high degree of flexibility and pliability, and have shown great potential for application in a variety of fields. With the continuous progress of material science, control technology, and artificial intelligence, the performance and application range o...

Active learning and design–build–test–learn strategies are increasingly employed to accelerate materials discovery and characterization. Many data-driven materials design campaigns require that materials are synthesizable, stable, soluble, recyclable, or non-toxic. Resources are wasted when materials are recommended that do not satisfy these constr...

The development of efficient synthetic procedures to access fused N, O-heterocyclic skeletons has been a pivotal research topic in organic synthesis for several years. Owing to the applications of N, O-fused heterocycles in organic synthesis, material sciences, and medicinal chemistry, significant efforts have been dedicated to design novel methods...

The thermodynamic characterization of apatite minerals, critical for understanding geological processes and material applications, faces significant challenges due to the scarcity of experimental data, particularly standard entropy (S°) values. In this study, we address this gap by optimization of predictive method based on Volume-based Thermodynam...

This review explores the innovative use of nano-catalysts in the synthesis of 5-substituted 1H-tetrazole derivatives, highlighting their significant biological applications. The novel methodologies discussed demonstrate enhanced efficiency and selectivity in the production of these compounds. Key findings include the optimization of reaction condit...

This paper explores the pivotal role of advanced materials in optimizing wind energy systems through a physics-based approach. By examining recent advancements in material science, we analyze how these innovations enhance the efficiency and reliability of wind turbines. We propose a novel methodology for integrating these materials into turbine des...

Fiber-reinforced polymers (FRPs) are increasingly recognized in sustainable materials research due to their potential environmental advantages. This study presents a focused bibliometric review of the sustainability research on FRPs. An initial search of the Web of Science (WOS) database identified 803 documents, which were refined to 749 relevant...

O Sítio Arqueológico do Cerro do Castelo de Alferce (Monchique) corresponde a um povoado fortificado de altura localizado no extremo sudoeste da Península Ibérica. Este tem sido amplamente investigado desde 2017. Os trabalhos de campo têm incidido, sobretudo, no topo do arqueossítio, área onde se encontram dois recintos fortificados que se enquadra...

The utilisation of high-resolution in situ computed tomography (CT) in the (sub-)μm range is typically only viable in synchrotron facilities, as the deployment of a conventional loading stage in laboratory CTs with a cone beam source does not facilitate a corresponding geometric magnification. This publication presents a CT system with a novel in s...

The application of ANN in forecasting wear rates during the manufacturing of novel hybrid composites is crucial for advancing material science, particularly in industries where wear resistance is critical, such as aerospace, automotive, and manufacturing. This present study is an investigation to form a hybrid novel metal composite of Aluminium all...

Machine learning in atomistic materials science has grown to become a powerful tool, with most approaches focusing on atomic geometry, typically decomposed into local atomic environments. This approach, while well-suited for machine-learned interatomic potentials, is conceptually at odds with learning complex intrinsic properties of materials, ofte...

Quantum computers have been called the Ultimate Computer a decisive leap in technology with profound implications for the entire world. Quantum computers might usher in an entirely new age for the economy, society, and our way of life. It is an emerging field that leverages the principles of quantum mechanics to perform computations that are infeas...

The design and synthesis of drug molecules is a pivotal stage in drug development that traditionally requires significant investment in time and finances. However, the integration of artificial intelligence (AI) in drug design accelerates the identification of potential drug candidates, optimizes the drug development process, and contributes to mor...

In this study, it was aimed to develop a biodegradable metallic plate that is an alternative to bioinert metal plates. The main advantage of using biodegradable materials for implants is that they can be gradually replaced with the patient's own tissue, which reduces the need for additional surgeries to remove the implant after it has served its pu...

Superconductivity is a fascinating phenomenon observed in certain materials under certain conditions. However, some critical aspects of it, such as the relationship between superconductivity and materials' chemical/structural features, still need to be understood. Recent successes of data-driven approaches in material science strongly inspire resea...

Poly vinylidene fluoride (PVDF) is a versatile polymer that shows polymorphism, and most of its applications are based on its piezoelectric properties given by its polar crystalline phases. Increasing the polymer’s polar β-phase content has been a major pursuit in material science. We present the results on the evolution of induced polymorphic chan...

Liquid metal (LM) technologies are rapidly advancing in modern materials science, with low melting point metals playing a pivotal role in emerging applications. Recent studies reveal that doped liquid gallium systems form spectacular and diverse surface structures during cooling, [Tang et al., Nat. Nanotechnol., 2021, 16, 431-439] sparking renewed...

Tissue engineering integrates biology, medicine, engineering, and materials science principles to design and develop functional substitutes for damaged or diseased tissues and organs. Research explores tissue's history, function, challenges, and applications in biomedical engineering. It is explained with fact-based examples demonstrating how tiss...

Supramolecular coordination assemblies play an important role in both material science and biological systems. Despite significant efforts in their development, most existing examples are thermodynamically controlled, which lack the adaptability and autonomy essential for the creation of advanced materials. In this work, we have developed non‐equil...

The 3rd volume of the "Women in Science : Materials" collection in "Frontiers in Materials" showcases the standout research of female researchers across the breadth of the materials science and engineering. It gathers a selection of articles with the lead author and/or corresponding author being a woman. Manuscripts span several sections of the jou...

In materials science, a wide range of properties of materials are governed by various types of energies, including thermal, physicochemical, structural, and mechanical energies. In 2005, Dr. Frans Spaepen used crystalline face-centered cubic (fcc) copper as an example to discuss a variety of phenomena that are associated with energies. Inspired by...

Pyridazine derivatives hold significant interest due to their broad applications in pharmaceuticals and materials science, where they serve as valuable scaffolds for bioactive compounds and functional materials. Here, we report a formal [4 + 2] reaction for the synthesis of 5’-sulfonyl-4’-aryl-3-cyano substituted pyridazine compounds from the react...

The advancements in three-dimensional (3D) printing technology present significant innovations in the field of veterinary orthopedics, offering alternative solutions for education, diagnosis, and surgical interventions. 3D prints enhance students' experiences in education and, in clinical settings, provide accurate visualization and interpretation,...

The integration of indigenous science into learning, especially science learning for junior high school students, is very necessary. Indigenous science can be used as a context and source for learning science. Mapping Indonesian’s indigenous science is needed to facilitate educators in utilizing and integrating into learning. This study aimed to: (...

Flexibility has been pursued enthusiastically in the field of porous crystals for enhancing their adsorption and separation performances. However, flexibility has never been observed among porous crystals sustained thoroughly by van der Waals interactions since flexible motions readily lead to the collapse of the porous architecture. Here we report...

Active learning (AL) has been widely applied in chemistry and materials science. In this work we propose a quantum active learning (QAL) method for automatic structural determination of doped nanoparticles, where quantum machine learning (QML) models for regression are used iteratively to indicate new structures to be calculated by DFT or DFTB and...