Materials Science Engineering Research Articles

Production of nanocellulose from lignocellulosic biomass and its potential applications: A review

<p>Lignocellulosic biomass is a complex natural polymer primarily composed of cellulose, hemicellulose, lignin, and various other chemical components. The cellulose in the lignocellulosic biomass can depolymerize into a nano-dimension biomaterial called nanocellulose, which possesses unique features with potential application in various fields. Nanocellulose production from lignocellulosic biomass has become the subject of extensive research in the last few decades in the fields of material sciences and biomedical engineering and has attracted the attention of scientists and technologists worldwide. This production faces many challenges in utilizing the cellulose from lignocellulosic biomasses and subsequent processing for their conversion into nanocellulosic materials and their further applications in various fields of science and technology. This current review not only focuses on the production of nanocellulose from lignocellulosic biomass through different production methods but also discusses various sources, types, properties, and their applications in material science and biomedical engineering. This research review certainly shows that in the future, nanocellulose has great potential to be used as a renewable source in the field of sustainable materials and nanocomposites.</p>

The formation of research in the field of chemical technology of ceramic and composite materials in Komi Scientific Research Center of the Ural Branch of the Russian Academy of Sciences (1980-1990-ies)

The work is devoted to the history of the formation of one of the scientific directions currently developing at the Institute of Chemistry of the Federal Research Center "Komi Scientific Center of the Ural Branch of the Russian Academy of Sciences". The subject of the study is the process of formation and development of research in the field of materials science and chemical technology of ceramic and composite materials in the Laboratory of Chemistry and Solid State Physics of the Department of Chemistry of the Komi Scientific Center of the Ural Branch of the Russian Academy of Sciences in the 1980s and 1990s. The main attention is paid to the study of the prerequisites for the creation, conditions and main stages of the laboratory, the mechanisms of interaction between a research institution and industrial enterprises of the republic, the analysis of the influence of external factors on the choice of subjects and the development of scientific research, the role of the personality of a scientist in the history of science. The methodological basis of the research is the principle of historicism, a problem-chronological approach, according to which the formation of a scientific direction in an academic institution was studied in the context of the history of industrial development of the region. Based on the documents stored in the funds of the Scientific Archive of the Komi Scientific Research Center of the Ural Branch of the Russian Academy of Sciences and published works, the history of the organization and operation of the laboratory of chemistry and solid state physics was reconstructed for the first time. It is established that one of the main factors that determined the process of formation and development of research in the laboratory during this period was the availability in the republic of promising reserves of mineral raw materials suitable for use in obtaining functional ceramic and composite materials; the necessary research base; the development of high-tech industries in the Komi ASSR. Scientists have been working on the creation of physico-chemical bases for the production of high-tech materials with special properties (magnetic, electrophysical, etc.) based on the mineral raw materials of the republic. New materials with special physical and chemical characteristics obtained in the laboratory were introduced into production, which contributed to the development of the region's industry.

Technical solutions to reduce losses in magnetic cores and material consumption of three-phase transformer and reactor equipment

Purpose. The increase in energy costs and the need for further energy saving lead to an increase in requirements for reducing losses in the magnetic cores of transformers and reactors. Problem. The improvement of transformer and reactor equipment is traditionally carried out by applying the achievements of electrical materials science and new technologies to traditional designs and structures of electromagnetic systems. The basis of modern transformers is made up of laminated and twisted magnetic cores. The disadvantage of laminated magnetic cores is large additional losses in corner zones due to the texture of anisotropic steel. Disadvantage of twisted three-phase three-contour magnetic cores is large additional losses caused by the lack of magnetic coupling of three separate magnetic flux contours. The disadvantages of combined joint tape-plate magnetic cores are the unsatisfactory use of the active volume and increased losses, which are determined by the uneven distribution of the magnetic field and the negative impact of steel texture in the corner zones of the twisted parts. Aim. To determine the possibility of improving three-phase transformers and reactors. Methodology. The improvement is achieved by geometrical and structural transformations of the outer contours and elements of the varieties of magnetic cores. Results. The possibility of eliminating additional losses of a planar laminated magnetic core by a combination of anisotropic and isotropic steels at the appropriate location in the yoke-rod and corner sections is determined. With an octagonal outer contour of the combined magnetic core, a reduction in mass is achieved without an increase in losses. The mutually orthogonal position of the steel layers or the elements of the joint twisted and combined three-phase planar and spatial magnetic cores achieves magnetic coupling and elimination of additional losses of individual twisted contour sections. The hexagonal configurations of the inner contours of the twisted yoke-corner parts and the cross-sections of the laminated rods of the variants of the axial spatial joint magnetic core improve the magnetic flux density distribution and reduce the main losses of the yokes, as well as reduce the complexity of manufacturing rods from identical rectangular steel layers. Originality. The paper presents constructive and technological proposals and features of varieties of non-traditional planar and spatial, laminated, twisted and combined tape-plate joint magnetic cores, which differ in the combination of anisotropic, isotropic and amorphous steels, as well as the multifaceted geometric shape of contours and the spatial arrangement of elements. Based on the identity of the optimal geometric ratios of the variants of electromagnetic systems of transformers and reactors, with joint planar and spatial twisted and combined and tape-plate magnetic cores, the unification of the structure of transformer and reactor equipment with a capacity of I-III dimensions.

Preface

PrefaceThe 11th Annual 2023 International Conference on Material Science and Environmental Engineering [MSEE2023] was held on November 24th, 2023 (Virtual Conference). The conference was held via Tencent Meeting Application. MSEE2023 aims to bring researchers, engineers, and students to the areas of Material Science and Environmental Engineering. MSEE2023 features unique mixed topics of Material Science and Advanced Materials, Material Engineering and Application, Environmental Science and Engineering and Mechanical Design and Technology.We received over 254 submissions from various parts of the world. The Technical Program Committee worked very hard to have all manuscripts reviewed before the review deadline. All the accepted papers have been submitted to strict peer-review, and selected based on originality, significance and clarity for the purpose of the conference. The conference program is extremely profound and featuring high-impact presentations of selected papers and additional late-breaking contributions. We sincerely hope that the conference would not only show the participants a broad overview of the latest research results on related fields, but also provide them with a significant platform for academic connection and exchange. There are three keynote speakers and four invited sessions. The keynote speakers are internationally recognized leading experts in their research fields, who have demonstrated outstanding proficiency and have achieved distinction in their profession. The proceedings would be published by IOP Journal of Physics Conference Series.We would like to express our sincere gratitude to all the members of Technical Program Committee and organizers for their enthusiasm, time, and expertise. Our deep thanks also go to many volunteers and staffs for the long hours and hard work they have generously given to MSEE2023. Last but not least, we would like to thank all the authors, speaker and participants for their great contributions to the success of MSEE2023.MSEE2023 Organizing CommitteeList of Committee of MSEE2023, Editor I, Editor II, Keynote Speaker I, Keynote Speaker II, Keynote Speaker III, Table of Content of MSEE2023 are available in this Pdf.

Use of high-performance polymeric materials in customized low-cost robotic grippers for biomechatronic applications: experimental and analytical research

Advancements in materials science and 3D printing technologies have opened up new avenues for developing low-cost robotic grippers with high-performance capabilities, making them suitable for various biomechatronic applications. In this research, it has been explored the utilization of high-performance polymer materials, such as Polyetherketoneketone (PEKK), Polyethylene Terephthalate Glycol (PET-G) and MED 857 (DraftWhite), in the designing and developing of customized robotic grippers. The primary focus of made analyses was oriented on materials characterization, both experimentally and analytically. Computer-Aided Engineering (CAE) methods were employed to simulate bending experiments, allowing for a comprehensive analysis of the mechanical behavior of the selected materials. These simulations were validated through physical bending experiments using samples fabricated via 3D printing technologies, including Fused Filament Fabrication (FFF) for PET-G and PEKK, as well as Jetted Photopolymer (PolyJet) technology employing UV Resin for MED 857. The findings of this research provided advantages of utilizing advanced materials like PEKK in low-cost robotic grippers for biomechatronic applications. The experimental and analytical approaches offer valuable insights into material selection, design optimization, and the development of cost-effective high-performing robotic systems with a wide range of applications in the field of biomechatronics.

Application of advanced biomaterials in wound repair

Cutaneous wound healing is an extremely complex pathophysiological process. With the rapid development of material science and tissue engineering, the advanced biomaterials developed through multi-disciplinary integration are of multi-functions and effects, providing novel ideas, strategies, and methods for accelerating wound repair and improving the quality of wound repair, and even tissue regeneration. This paper summarized the application of various multi-functional advanced biomaterials in promoting wound repair.

On Barenblatt's pseudoparabolic equation with forcing on the half‐line via the Fokas method

AbstractA novel technique is presented for explicitly solving inhomogeneous initial‐boundary‐value problems (IBVPs) (Dirichlet, Neumann and Robin) on the half‐line, for a well‐known pseudo‐parabolic partial differential equation. This so‐called Barenblatt's equation arises in a plethora of important applications, ranging from heat‐mass transfer, solid‐fluid‐gas dynamics and materials science, to mechanical, chemical and petroleum engineering, as well as electron physics, radiation and diffusive processes. Our approach is based on the extension of the Fokas method, so that it can be applied to problems with mixed derivatives. First, we derive formally effective solution representations and then justify a posteriori their validity rigorously. This includes the reconstruction of the prescribed initial and boundary conditions, which requires careful analysis of the various integral terms appearing in the formulae, proving that they converge in a strictly defined sense. In each type of IBVP, the novel formulae are utilized to rigorously deduce the solution's regularity properties near the boundaries of the spatiotemporal domain and the problem's well‐posedness. Furthermore, importantly, our solutions’ numerical advantages are demonstrated and highlighted by way of a concrete and illustrative example. Our rigorous approach can be extended to IBVPs for other significant models.

Strong chirality and asymmetric transmission effect in twisted bilayer α-MoO3 in terahertz band

Chirality and asymmetric transmission have wide-ranging applications in fields such as optics, chemical synthesis, pharmaceutical research, biological analysis, materials science and communication technology. In this work, we have demonstrated a terahertz (THz) device with strong chirality and asymmetric transmission effect based on a twisted bilayer α-MoO3. The unique optical response can be realized by adjusting structural parameters such as the thicknesses of the layers as well as the angle of relative rotation. It is found that the proposed structure achieves a giant circular dichroism (CD) value of 0.81 at 9.8 THz, which originates from the symmetry breaking of the structure. The phenomenon has been approved by the polarization conversion and the distributions of the electric field. In addition, the device exhibits the asymmetric transmission effect for circularly polarized wave incidence. The results show that the forward and backward transmissivity of circularly polarized waves with different handedness exhibit a significant difference of up to 0.55 at 9.2 THz. This work simultaneously achieves chirality and asymmetric transmission effect in the terahertz band, which paves the way for developing terahertz devices capable of chirality manipulation and optical isolation.

On Sombor indices of generalized tensor product of graph families

Graph invariants are extensively being used in different fields for analysing the structural properties of different compounds. Several topological indices, their properties and relations between different indices have been explored. Ivan Gutman recently introduced a new topological index, based on the vertex degree, termed as Sombor indices in the field of Chemical Graph theory. It is based on the Eulerian (distance) metric. Sombor indices and its properties have been explored on a wide range of graphs. However, the existing literature of graph theory bears fewer exploration in the analysis of topological indices of product graphs, a significant operation on graphs. Studying the topological features of molecular paths and cycles is vital for understanding chemical compounds, offering key insights into their structures and behaviours, benefiting diverse sectors such as drug discovery, material science, and chemical engineering. With this motivation, the Sombor indices of tensor product and 2-tensor product of certain families of graphs are established in this paper. Some of these product graphs are analysed by means of SO based graphical entropy.

Integrated Sensors for Soft Medical Robotics.

Minimally invasive procedures assisted by soft robots for surgery, diagnostics, and drug delivery have unprecedented benefits over traditional solutions from both patient and surgeon perspectives. However, the translation of such technology into commercialization remains challenging. The lack of perception abilities is one of the obstructive factors paramount for a safe, accurate and efficient robot-assisted intervention. Integrating different types of miniature sensors onto robotic end-effectors is a promising trend to compensate for the perceptual deficiencies in soft robots. For example, haptic feedback with force sensors helps surgeons to control the interaction force at the tool-tissue interface, impedance sensing of tissue electrical properties can be used for tumor detection. The last decade has witnessed significant progress in the development of multimodal sensors built on the advancement in engineering, material science and scalable micromachining technologies. This review article provides a snapshot on common types of integrated sensors for soft medical robots. It covers various sensing mechanisms, examples for practical and clinical applications, standard manufacturing processes, as well as insights on emerging engineering routes for the fabrication of novel and high-performing sensing devices.

Application of metal-organic frameworks-based functional composite scaffolds in tissue engineering.

With the rapid development of materials science and tissue engineering, a variety of biomaterials have been used to construct tissue engineering scaffolds. Due to the performance limitations of single materials, functional composite biomaterials have attracted great attention as tools to improve the effectiveness of biological scaffolds for tissue repair. In recent years, metal-organic frameworks (MOFs) have shown great promise for application in tissue engineering because of their high specific surface area, high porosity, high biocompatibility, appropriate environmental sensitivities and other advantages. This review introduces methods for the construction of MOFs-based functional composite scaffolds and describes the specific functions and mechanisms of MOFs in repairing damaged tissue. The latest MOFs-based functional composites and their applications in different tissues are discussed. Finally, the challenges and future prospects of using MOFs-based composites in tissue engineering are summarized. The aim of this review is to show the great potential of MOFs-based functional composite materials in the field of tissue engineering and to stimulate further innovation in this promising area.

Thermally-activated locomotion of a bilayer polymer actuator

The development of smart actuators based on renewable or biocompatible materials, which are able for delivery of specific cargo is of great importance in robotics, medical and material science engineering, food industry, etc. Here, we report the original design of a bilayer polymer actuator consisting of two polymer materials with an interface adhesive layer between them, able for macroscopic locomotion step by step on a special ratchet substrate through repetitive bending and straightening. This was triggered by heat alternation due to incandescent lamp radiation on/off switching, with a rapid reaction time of the actuator to heat exposure of the order of few seconds. Specifically, a relatively fast locomotion of the actuator was achieved due to the large amplitude of its reversible bending deformation of up to ∼40% measured in terms of the actuator's elevation-to-length ratio. As a result, a typical actuator demonstrated the locomotion velocity of about 3 cm/min, where each cycle of contraction/expansion yielded a walking step of ∼1 cm for about 20 s. It was demonstrated that the actuator, while moving, is able to carry a cargo almost twice heavier than the mass of the carrier itself. Based on optical microscopy and atomic force - infrared spectroscopy data it was concluded that the adhesive interface layer plays an important role in the stable operation of the actuator as it retards linear expansion of the rear polymer layer and thus assists conversion of different linear expansion of the adjacent layers into their effective bending.

σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study.

Herein, the potential of ZO3 and ZF2 aerogen-comprising molecules (where Z = Ar, Kr, and Xe) to engage in σ-, lp-, and π-hole site-based interactions was comparatively studied using various ab initio computations. For the first time, a premier in-depth elucidation of the external electric field (EEF) influence on the strength of the σ-, lp-, and π-hole site-based interactions within the ZO3/ZF2⋯NH3 and ⋯NCH complexes was addressed using oriented EEF with disparate magnitude. Upon the energetic features, σ-hole site-based interactions were noticed with the most prominent preferability in comparison to lp- and π-hole analogs. This finding was ensured by the negative interaction energy values of -11.65, -3.50, and -2.74 kcal mol-1 in the case of σ-, lp-, and π-hole site-based interactions within the XeO3⋯ and XeF2⋯NH3 complexes, respectively. Detailedly, the strength of the σ- and lp-hole site-based interactions directly correlated with the atomic size of the aerogen atoms and the magnitude of the positively oriented EEF. Unexpectedly, an irregular correlation was noticed for the interaction energies of the π-hole site-based interactions with the size of the π-hole. Interestingly, the π-hole site-based interactions within Kr-comprising complexes exhibited higher negative interaction energies than the Ar- and Xe-comprising counterparts. Notwithstanding, a direct proportion between the interaction energies of the π-hole site-based interactions and π-hole size was obtained by employing EEF along the positive orientation with high strength. The present outcomes would be a fundamental basis for forthcoming progress in studying the σ-, lp-, and π-hole site-based interactions within aerogen-comprising complexes and their pertinent applications in materials science and crystal engineering.

Implantable bioelectrodes: challenges, strategies, and future directions.

Implantable bioelectrodes for regulating and monitoring biological behaviors have become indispensable medical devices in modern healthcare, alleviating pathological symptoms such as epilepsy and arrhythmia, and assisting in reversing conditions such as deafness and blindness. In recent years, developments in the fields of materials science and biomedical engineering have contributed to advances in research on implantable bioelectrodes. However, the foreign body reaction (FBR) is still a major constraint for the long-term application of electrodes. In this paper, four types of commonly used implantable bioelectrodes are reviewed, concentrating on their background, development, and a series of complications caused by FBR after long-term implantation. Strategies for resisting FBRs are then devised in terms of physics, chemistry, and nanotechnology. We analyze the major trends in the future development of implantable bioelectrodes and outline some promising research to optimize the long-term operational stability of electrodes. Although current implantable bioelectrodes have been able to achieve good biocompatibility, low impedance, and low mechanical mismatch and trauma, these devices still face the challenge of FBR. Resistance to FBR is still the key for the long-term effectiveness of bioelectrodes, and a better understanding of the mechanisms of FBR, as well as miniaturization, long-term passivation, and coupling with gene therapy may be the way forward for the next generation of implantable bioelectrodes.

Magnetic two-dimensional nanocomposites for multimodal antitumor therapy: a recent review.

Magnetic two-dimensional nanocomposites (M2D NCs) that synergistically combine magnetic nanomedicine and 2D nanomaterials have emerged in multimodal antitumor therapy, attracting great interest in materials science and biomedical engineering. This review provides a summary of the recent advances of M2D NCs and their multimodal antitumor applications. We first introduce the design and fabrication of M2D NCs, followed by discussing new types of M2D NCs that have been recently reported. Then, a detailed analysis and discussions about the different types of M2D NCs are presented based on the structural categories of 2D NMs, including 2D graphene, transition metal dichalcogenides (TMDs), transition metal carbides/nitrides/carbonitrides (MXenes), black phosphorus (BP), layered double hydroxides (LDHs), metal organic frameworks (MOFs), covalent organic frameworks (COFs) and other 2D nanomaterials. In particular, we focus on the synthesis strategies, magnetic or optical responsive performance, and the versatile antitumor applications, which include magnetic hyperthermia therapy (MHT), photothermal therapy (PTT), photodynamic therapy (PDT), drug delivery, immunotherapy and multimodal imaging. We conclude the review by proposing future developments with an emphasis on the mass production and biodegradation mechanism of the M2D NCs. This work is expected to provide a comprehensive overview to researchers and engineers who are interested in such a research field and promote the clinical translation of M2D NCs in practical applications.

Flexible and wearable electronic systems based on 2D hydrogel composites.

Flexible electronics is a rapidly developing field of study, which integrates many other fields, including materials science, biology, chemistry, physics, and electrical engineering. Despite their vast potential, the widespread utilization of flexible electronics is hindered by several constraints, including elevated Young's modulus, inadequate biocompatibility, and diminished responsiveness. Therefore, it is necessary to develop innovative materials aimed at overcoming these hurdles and catalysing their practical implementation. In these materials, hydrogels are particularly promising owing to their three-dimensional crosslinked hydrated polymer networks and exceptional properties, positioning them as leading candidates for the development of future flexible electronics.

Understanding the relations between part deviations and part deformations for tolerance analysis – an ontology-based approach

Geometrical part deviations are observed on every manufactured component and in modern manufacturing processes, understanding and mitigating such geometrical part variations is crucial to ensuring the quality and functionality of manufactured and assembled parts. Simultaneously, recognizing and considering part deformation during operational usage also plays a critical role, exerting a profound impact on component performance, reliability, and safety throughout its operational lifecycle. Traditional approaches have often dealt with each of these two phenomena independently, leading to fragmented understanding and ineffective solutions. To bridge this gap, a novel ontology is proposed to address the intricate relationship between different types of part deviation during manufacturing processes, as well as the possibility of part deformations throughout operational usage, while emphasizing their significance in tolerance analysis. By integrating knowledge from various domains, including engineering design, manufacturing, and materials science, the ontology facilitates a comprehensive understanding of the factors influencing part deviations. Furthermore, the ontology considers the probabilities of part deformations during the operational life, encompassing factors such as loading conditions, environmental exposure, and thermal fluctuations. By leveraging this ontology, engineers and researchers can better predict, assess, and manage the effects of geometrical part variation on product performance, resulting in improved design robustness, manufacturing efficiency, and operational reliability.

Analysis of heat exchange processes in the "metal — non-stick coating — frozen mold" system

The article is devoted to the analysis of heat exchange processes in the "metal — non-stick coating — frozen mold" system, which is an important aspect of research in the field of materials science and industrial technology, as it affects the quality and efficiency of the final product. The study also paid special attention to the processes of heat exchange between the metal, the non-stick coating and the frozen mold thanks to the analysis of the obtained indicators, calculated and experimental data. In addition, it is necessary to take into account the interaction between the various elements of the system, such as the thermodynamic properties of the coating and the thermal insulation properties of the frozen mold. One of the key aspects of the analysis was taking into account the heat capacity and thermal conductivity of the materials that make up the system, since heat capacity indicates the ability of a material to absorb heat, and thermal conductivity determines its ability to transfer heat. The properties of the non-stick coating, which protects the metal from high temperatures and provides optimal conditions for freezing the mold, are considered, since they can affect heat exchange by reducing or increasing the contact between the metal and the frozen mold. Based on the obtained data, a nomogram was constructed to determine the minimum thickness of the frozen rod depending on the thickness of the casting wall and the cooling temperature of the mold. The developed mathematical model of the heat transfer process in the system is based on the method of cellular automata. The model adequately describes the real process and can be used for numerical studies. The results of the work provide an opportunity to help improve production technology and improve the quality of the final product thanks to the analysis of heat exchange processes in the "metal — non-stick coating — frozen mold" system.

Quantum spin coherence and electron spin distribution channels in vanadyl-containing lantern complexes.

We herein investigate the heterobimetallic lantern complexes [PtVO(SOCR)4] as charge neutral electronic qubits based on vanadyl complexes (S = 1/2) with nuclear spin-free donor atoms. The derivatives with R = Me (1) and Ph (2) give highly resolved X-band EPR spectra in frozen CH2Cl2/toluene solution, which evidence the usual hyperfine coupling with the 51V nucleus (I = 7/2) and an additional superhyperfine interaction with the I = 1/2 nucleus of the 195Pt isotope (natural abundance ca. 34%). DFT calculations ascribe the spin density delocalization on the Pt2+ ion to a combination of π and δ pathways, with the former representing the predominant channel. Spin relaxation measurements in frozen CD2Cl2/toluene-d8 solution between 90 and 10 K yield Tm values (1-6 μs in 1 and 2-11 μs in 2) which compare favorably with those of known vanadyl-based qubits in similar matrices. Coherent spin manipulations indeed prove possible at 70 K, as shown by the observation of Rabi oscillations in nutation experiments. The results indicate that the heavy Group 10 metal ion is not detrimental to the coherence properties of the vanadyl moiety and that Pt-VO lanterns can be used as robust spin-coherent building blocks in materials science and quantum technologies.

Customizing PBE exchange-correlation functionals: a comprehensive approach for band gap prediction in diverse semiconductors.

Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the exchange and correlation enhancement factor complexities within density functional theory (DFT). Our customized functionals offer a clearer and more realistic alternative to DFT+U methods, which demand large negative U values for elements like sulfur (S), selenium (Se), and phosphorus (P). Moreover, these functionals are more cost-effective than GW or Heyd-Scuseria-Ernzerhof (HSE) hybrid functional methods, therefore, significantly facilitating the way for unified workflows in analyzing electronic structure, dielectric constants, effective masses, and further transport and elastic properties, allowing for seamless calculations across various properties. We point out that such development could be helpful in the creation of comprehensive databases of band gap and dielectric properties of the materials without expensive calculations. Furthermore, for the semiconductors studied, we show that these customized functionals and the strongly constrained and appropriately normed semilocal density functional (SCAN) perform similarly in terms of the band gap.