Materials Science Aspects Research Articles

Preface

With an extended gratification, we happily welcome you to the proceedings of 2021 3rd International Conference on Trends in Material Science and Inventive Materials (ICTMIM 2020) at Coimbatore, India. The main objective and feature of the conference is to bring together academicians, researchers and industrialist to share and exchange their research experiences and results in different aspects of material science, computational mechanics and innovative materials.The editorial team of 3rd ICTMIM 2021 has mainly preferred the state-of-the-art discussions on the practical challenges encountered in the emerging innovative material science paradigm and solutions adopted to it. The 3rd ICTMIM 2021 proceedings has been committed to remain both informative and research stimulating to cope up with the current issues present in innovative materials and general material science domain. Delegates from different countries have made the conference to be truly international in scope. Totally, 3rd ICTMIM 2021 has received 292 papers out of which 86 papers were selected for the conference. It has been strictly followed that, each contributed paper has refereed by at least 2-3 international reviewers before being accepted for publication.3rd ICTMIM 2021 conference program consists of technical sessions and discussions on most of the recent material science research topics with eminent session chairs, program chairs, plenary lectures, and keynote speakers by covering a wide range of topics. The conference totally had 86 oral presentations, which are delivered by the conference participants by leveraging a great opportunity for the academicians, scholars ad industrialists to gain a wider knowledge on the state-of-the-art progress in material science research. Also, we are pleased to extend our gratitude to the review committee members, who have delivered their professional and technical expertise to the fullest to improve the publication quality of the research papers submitted to 3rd ICTMIM 2021. Furthermore, we would like to thank the conference organizers, local organizing committee members, faculty and non-faculty members, and volunteers for making this technical gathering to be a more enjoyable and informative event.At last, we would like to extend our gratitude to the publication support delivered by the IOP team in this entire journey from conference to publication and our institution JCT College of Engineering and Technology for their continual support in successfully organizing this conference event.List of Virtual Conference Disclaimer, Guest Editors, Chief Patron, Conference Chair, Technical Program Committee, Local Organizing Committee are available in this pdf.

Предмет восточной торевтики из Новосибирска

Purpose. The article dwells upon the description and interpretation of a unique anthropomorphic Eastern toreutics item that was discovered by accident on the territory of Novosibirsk. This item comes from the traditional Ob river crossing site where a cult place with References to the Early Iron Age has already been identified. The study is aimed at attributing the imported item in terms of historical and cultural as well as material science aspects and establishing its relative chronology and possible intended purpose. Results. The functional purpose of the artifact is considered in terms of both its initial origin and possible use in the local environment. The structure and origin of the clothes depicted on the toreutics item are analyzed as being one of the most insightful elements of the cultural background of the product. Based on these data, an assumption concerning an image of silk clothes on the figure was made. Special attention was given to characteristics of a dynamic nature evoked by a volumetric depiction of the tiny sculpture that is likely to correspond to a ritual dance. The established direct and indirect analogies for the toreutics item from Novosibirsk allow state its Eastern origin related to the consequences of the impact of the ancient culture on the vast Eurasian territories. The anthropomorphic product has obvious features of a Buddhistic background represented by an image of the point on the figure's forehead. The energy-dispersive analysis of the metal product allowed determine an alloy composition. It comprised of 62.1 % copper, 15.3 % tin, 15.2 % lead, and 7.4 % zinc. Conclusion. The share of tin in the alloy allows it to be identified as a ‘classic’ bronze piece. An extensive share of copper in the metal product brings it closer to the formula of ancient bronze. The item dates back to the turn of the epoch and is likely to be related to the Indian and Greek cultural tradition.

Critical challenges and advances in the carbon nanotube-metal interface for next-generation electronics.

Next-generation electronics can no longer solely rely on conventional materials; miniaturization of portable electronics is pushing Si-based semiconductors and metallic conductors to their operational limits, flexible displays will make common conductive metal oxide materials obsolete, and weight reduction requirement in the aerospace industry demands scientists to seek reliable low-density conductors. Excellent electrical and mechanical properties, coupled with low density, make carbon nanotubes (CNTs) attractive candidates for future electronics. However, translating these remarkable properties into commercial macroscale applications has been disappointing. To fully realize their great potential, CNTs need to be seamlessly incorporated into metallic structures or have to synergistically work alongside them which is still challenging. Here, we review the major challenges in CNT–metal systems that impede their application in electronic devices and highlight significant breakthroughs. A few key applications that can capitalize on CNT–metal structures are also discussed. We specifically focus on the interfacial interaction and materials science aspects of CNT–metal structures.

An alternative method of teaching the mechanics of bulk metal forming to undergraduates: Newtonian and Lagrangian approaches

An alternative method of teaching the mechanics of bulk metal forming to undergraduate students is presented. This method has been practiced by us at the University of Florida, Gainesville, FL, USA, and at Mahindra University, Hyderabad, India. Certain key factors differentiate it from the procedures employed in standard textbooks. The relevant fundamental background is laid, emphasizing the materials science and solid mechanics aspects that govern the analysis of all bulk metal forming operations. In this unique approach, we avoid usage of empirical expressions completely and analyse processes from first principles. At the same time, we refrain from rigorous mathematical descriptions which may distract the undergraduate engineering student. Using both the energy balance (Lagrangian) and the force balance (Newtonian) methods, we analyse representative bulk forming processes. An illustrative example enables students to appreciate the comparative orders of magnitude of specific forces encountered in different processes. We present tested methods that helped students to appreciate the ease with which a large number of seemingly unrelated processes can be understood and analyzed. We have used this presentation as the standalone lecture material while teaching the topic. It has helped students to avoid the burden of using multiple reference textbooks to gain an understanding of the mechanics of bulk forming processes.

Predicting Ultra-High-Performance Concrete Compressive Strength Using Tabular Generative Adversarial Networks.

There have been abundant experimental studies exploring ultra-high-performance concrete (UHPC) in recent years. However, the relationships between the engineering properties of UHPC and its mixture composition are highly nonlinear and difficult to delineate using traditional statistical methods. There is a need for robust and advanced methods that can streamline the diverse pertinent experimental data available to create predictive tools with superior accuracy and provide insight into its nonlinear materials science aspects. Machine learning is a powerful tool that can unravel underlying patterns in complex data. Accordingly, this study endeavors to employ state-of-the-art machine learning techniques to predict the compressive strength of UHPC using a comprehensive experimental database retrieved from the open literature consisting of 810 test observations and 15 input features. A novel approach based on tabular generative adversarial networks was used to generate 6513 plausible synthetic data for training robust machine learning models, including random forest, extra trees, and gradient boosting regression. While the models were trained using the synthetic data, their ability to generalize their predictions was tested on the 810 experimental data thus far unknown and never presented to the models. The results indicate that the developed models achieved outstanding predictive performance. Parametric studies using the models were able to provide insight into the strength development mechanisms of UHPC and the significance of the various influential parameters.

Material Science Aspects of Alloy Modification by Nanocompositions of Plasma-Chemical Synthesis

Crystallographic characteristics of nanodispersed materials obtained by plasma-chemical synthesis were studied. Using industrial equipment for plasma-chemical synthesis the nanodispersed powders of high-melting carbide, nitride, carbonitride and silicide class compounds based on titanium, magnesium, aluminium, silicon were obtained. Technology for synthesis of powder fraction less than 100 nm was developed. The efficiency of nanodisperce compositions use in smelting of structural steels was determined. In the result of 10Г2С steel modification with Ti (CN) nanopowder strength, plastic properties and impact toughness were improved. Elemental composition of nanodispersed composition was determined: SiC, TiC, TiN, Ti (CN), AlN, Mg2Si, Mg3N2. The elemental composition of synthesized compounds corresponded to stoichiometric composition. Microdiffractional patterns of the particles were analysed, it was shown that nanopowders belong to the solid crystalline bodies with metallic bond. It has been found, that titanium carbonitride Ti (CN) particles have face-centered and silicon carbide (SiC) particles have hexagonal crystal lattice. Experiments for steel 10Г2 and 10Г2С modifying with nanopowder compositions on base of Ti (CN) and SiC were carried out. The efficiency of nanodisperce compositions use in smelting of structural steels was determined. In the result of 10Г2С steel modification with Ti (CN) nanopowder strength, plastic properties and impact toughness were improved. The choice of nanodisperce titanium carbonitride Ti (CN) powders with 100 nm fraction for light alloy steels modifying was justified. The required criteria for choice of nanopowder modifiers were obtained: insolubility in smelt, correspondence of crystal lattice to steel matrix, commensurability with austenite germ critical radius in crystallizing.

Machine learning prediction of compressive strength for phase change materials integrated cementitious composites

Incorporating phase change materials (PCMs) into cementitious composites has recently attracted paramount interest. While it can enhance thermal characteristics and energy storage, compressive strength can be decreased. Thus, accurate prediction of the effect of PCM addition on compressive strength is crucial. However, a predictive model for this purpose using physical or chemical features is not feasible at this stage. Thus, machine learning is used for the first time herein to predict the compressive strength of PCM-integrated cementitious composites. A dataset of 154 cement-based mixtures incorporating PCM microcapsules was assembled. Various machine learning regression algorithms including random forest, extra trees, gradient boosting, and extreme gradient boosting were tuned and their prediction accuracy was assessed using several metrics. The models achieved superior prediction accuracy. Exploiting powerful machine learning models to examine the harvested experimental data could provide insights into materials science aspects of this problem and identify pertinent knowledge gaps and needed future research.

Materials science aspects of the research directions of electrochemistry

This opinion article summarizes a few electrochemical research directions whose weight is likely to increase in the near future. Connection between materials science and electrochemistry is highly emphasized, while education is also considered as a key issue.

Research for the Safe Management of Nuclear Waste at Forschungszentrum Jülich: Materials Chemistry and Solid Solution Aspects

The safe management of high‐level nuclear wastes, including their final disposal in a deep geological repository, requires a sound scientific understanding of the processes affecting the various materials present in the multibarrier system of the disposal facility, including the radioactive waste forms. Thus materials science aspects play an important role in the multidisciplinary and complex field of long‐term safety assessments. As many of these issues are related to mixed solid compounds, the aspect of structural radionuclide uptake by a host structure and subsequent solid solution formation is one of the key topics of the research related to nuclear waste management at Forschungszentrum Jülich. The adopted practice for deriving an in‐depth understanding of materials behavior by combining state‐of‐the‐art experimental and computational approaches is presented in the context of three examples: 1) corrosion of spent nuclear fuels, 2) radionuclide retention by secondary phases, and 3) innovative ceramic waste forms. New nano‐ and microanalytical tools, as well as advanced spectroscopic techniques and computational methods, further developed and tailored at Forschungszentrum Jülich, allowed for refined views on these materials.

Surface waves at metal-dielectric interfaces: Material science perspective

Abstract Surface modes at interfaces, especially, the surface plasmon polaritons at metal-dielectric interfaces localize field. Associated applications are well pursued in addition to their basic properties which themselves are interesting. There are several metal-dielectric geometries that support surface modes like the gap, Tamm, spoof, and magneto-plasmons. After a brief pedagogical overview of these surface modes and the often-used dispersion measurement techniques, material science aspects like the quest for lossless plasmonic metal, dispersionless plasmonic structures, and plasmon dynamics are discussed. Some of the open problems are presented.

Molecule Based Materials for Quantum Cellular Automata: A Short Overview and Challenging Problems

AbstractIn this review we shortly summarize in an accessible way the physical and nanoscale material science aspects of the promising field of molecular quantum cellular automata (QCA). QCA is a revolutionary paradigm in quantum electronics with promising application in the conceptually new computing scheme which can be referred to as “computing with molecules”. This scheme of devices have vitally important advantages compared with conventional schemes of quantum computing in which the binary information is stored in the eigenvectors of a two‐level quantum system and therefore their practical application is strongly limited by the requirement of coherence. Molecular QCA promise nanometer‐scale units with ultra‐high device densities, as well as room temperature operation with extremely small heat release. Molecular materials provide at the same time options to control the key properties of the active molecules by chemical means. Hereunder we summarize the background of the electronic and vibronic problems in QCA cells represented by the tetrameric mixed‐valence (MV) complexes and organic molecules proposed for implementation as four‐site molecular QCA. We discuss the basic model of the molecular cell that include the following ingredients: 1) intracell Coulomb repulsion energy of the electrons in different electronic distributions among the redox sites; 2) electron transfer between redox sites which changes electronic distributions; 3) interaction of the itinerant electrons with molecular vibrations which is referred to as the vibronic interactions; 4) intercell Coulomb interaction by mean of which the binary information is transmitted from cell to cell. On the basis of this model we will study the cell polarization, adiabatic picture of the switching cycle describing interaction between the “input” and “output” molecular cells, non‐linear cell‐cell response function whose shape describes the action of molecular logic gates. Along with developed and current problems, we discuss new challenging trends of research in this fascinating area.

Preface

The present issue of IOP Conference Series: Materials Science and Engineering (MSE) contains 113 selected manuscripts submitted to the 8th Global Conference on Materials Science and Engineering (CMSE 2019), which was held during November 12-15, 2019 in Sanya, Hainan Province, China, and was sponsored by Sage Publishing. Since 2012, CMSE provides an annual international academic platform for participants from all over the world to share new theoretical and experimental approaches and findings in all aspects of materials science and engineering.This conference attracted 150 participants from universities, research institutes and technological innovative enterprises from 17 countries. The conference had parallel sessions with dedicated selected topics on: Advanced Material Technologies, Energy materials and Semiconductors, Nanomaterials, Surface and Coatings Technology, Characterization & Testing and Structural materials. The technical program consisted of 4 keynote, 15 invited, 43 oral and 31 poster presentations.The electronic submission, double-blind peer reviewing, revision and polishing procedures for the selected manuscripts complied with high standards and requirements for regular international peer-reviewed publications. The contribution of our regular reviewers and authors ensured a high level and novelty of CMSE2019 reports, while sponsors, Technical and Organizing Committees provided a state-of-the-art technical background and creative atmosphere.

Preface

3rd MRS-id Meeting is the continuation of successful biannual series including 1st MRS-id Meeting in Bali (2014) and 2nd MRS-id Meeting in Bandung (2016) organized by Materials Research Society of Indonesia (MRS-id). The conference was held on July 31st to 2 August 2nd, 2018 at Aston Denpasar Hotel & Convention Center, Bali, Indonesia. The theme of current meeting is “Materials for Energy and Environment Sustainability”. The focus of the MRS-id meeting is to promote materials science and technology in Indonesia, regional area (such as ASEAN and Asia) as well as global. The MRS-id meeting is a platform for the gathering of researchers, lecturers and students who always seek for collaboration, exchanging ideas across all scientific disciplines.The 3rd MRS-id Meeting was attended by 7 plenary speakers, 13 keynote speakers, 95 oral speakers and 45 poster presenters. These are the contribution from 11 countries across the world. The scope of meeting covers various aspects of advanced materials science and technology such as photonic materials, optical materials, biomaterials, biomedical materials, electronic materials, magnetic materials, porous materials and membrane. The submitted manuscripts from this meeting have been peer-reviewed and to the selected manuscripts, those has been published on Materials Research Express. Eventually, other 34 accepted manuscripts are for the publication on IOP Conference Series: Materials Science and Engineering.The 3rd MRS-id Meeting organizing committee would like to acknowledge the enthusiasm of the participants, support from the sponsors, contribution from the international advisory boards and support from the heads of universities that lead to the success of this event.Rino R. MuktiChair of 3rd MRS-id MeetingEditors:Khairurrijal Khairurrijal, Institut Teknologi Bandung, Indonesia (krijal@fi.itb.ac.id)Rino R. Mukti, Institut Teknologi Bandung, Indonesia (rino@chem.itb.ac.id)Hutomo Suryo Wasisto, Technische Universitaet Braunschweig (h.wasisto@tu-braunschweig.de)Ariando, National University of Singapore, Singapore (ariando@nus.edu.sg)Satria Z. Bisri, RIKEN Center for Emergent Matter Science, Japan (satria.bisri@riken.jp)

Preface

The organizing committee of ICAMTSL 2019 is proud to present the proceedings of the 2019 International Conference on Advanced Materials and Technology for Sustainable Life (ICAMTSL 2019: http://www.icamtsl.net/), held in Shanghai, China from 28 to 30 June 2019. We warmly welcomed prospective authors to submit new research papers to ICAMTSL 2019 and share their valuable experience with scientists and scholars around the world.The conference is an international forum for the presentation of technological advances and research results in the fields of sustainable aspects of materials science and technology such as fundamentals, applications and engineering of biomaterials, nanomaterials and composite materials. The conference will bring together leading researchers, engineers and scientists in the domain of interest from around the world.ICAMTSL 2019 received more than 50 manuscripts, and 17 submissions have been accepted by our reviewers. By submitting a paper to ICAMTSL 2019, the authors understood and agreed that papers would undergo a rigorous peer-review process. Manuscripts were reviewed by at least two independent, qualified experts in the field selected by the conference committee, who took detailed comments and the authors would submit a revised version in which the feedback was taken into consideration. All papers were reviewed using a double-blind review process: authors declared their names and affiliations in the manuscript for the reviewers to see, but reviewers did not know each other’s identities, nor did the authors receive information about who had reviewed their manuscript.The committees of ICAMTSL 2019 invested great efforts in reviewing the papers submitted to the conference and organizing the sessions to enable the participants to gain maximum benefit. We sincerely appreciate your participation and do believe our joint efforts would make our conference indeed fruitful and successful.With our warmest regards,Conference Organizing ChairShanghai, China

Experimental and molecular topology-based biological implications of Schiff base complexes: a concise review

AbstractThis review is a gentle introduction toward Schiff bases with special attention to bioinorganic aspects. Depending on the nature of condensation moieties (ketonic or aldehydic) with primary amine, a large number of novel compounds are reported every year with applicability in various material science aspects. Herein, a burgeoning literature overview is presented to provide a salient discussion of the current status of these molecular systems. Schiff bases are designed depending on the particular desirable properties. For instance, to enlighten a biologically relevant molecule, it is always appreciated when a prepared compound shows biological membrane crossing and nucleic acid linking potential. Under such purview, the Schiff base functional group can serve as an enhancer of biomembrane traversing capability. In addition to various other catalytic aspects, the type of disease to be encountered also matters. Nowadays, theoretical chemistry is applied before synthesizing a compound of this sort and fruitful results are first depicted and, if found feasible, a suitable synthetic route is followed to synthesize Schiff base compounds. Molecular charge topology analysis under theoretical expression is analyzed generally to predict the biological relevance of a molecule.

The 2nd International Symposium on Application of Materials Science and Energy Materials

PrefaceIt is our pleasure to welcome you to the 2nd International Symposium on Application of Materials Science and Energy Materials (SAMSE 2018) in Shanghai, China. SAMSE 2018 is the second conference dedicated to issues related to Materials Science, Materials Application, Civil Engineering and other engineering topics. A major goal and feature of it is to bring academic scientists, engineers, industrial researchers together to exchange and share their experiences and research results about most aspects of Applied Scientific Research, Materials Science and Engineering, and discuss the practical challenges encountered and the solutions adopted.We hope you will have a technically rewarding experience, and use this occasion to meet old friends and make many new ones. Don’t miss the opportunity to explore in Shanghai, China. And don’t forget to take a sample of the many and diverse attractions in the rest of the China.SAMSE 2018 promises to be both stimulating and informative with a wonderful array of keynote and invited speakers from all over the world. Delegates will have a wide range of sessions to choose from and will have a difficult decision in deciding which sessions to attend.List of Sponsors, Conference Chairs and Technological Committees are available in this pdf.

Influence of crystalline structure on rf dissipation in superconducting niobium

Bulk niobium is the most common material used in the fabrication of rf superconducting cavities for accelerators. Predicting and reducing the rf surface dissipation in these cavity structures is mandatory, since it has a tremendous cost impact on the large accelerator projects. In this paper the author hopes to demonstrate that sources of dissipation usually attributed to external causes (mainly flux trapping during cooldown and hydrides precipitates) are related to the same type of crystalline defects that affect the local superconducting properties and can be at the source of early vortex penetration at the surface. We also want to show how these types of defects can explain some of the discrepancies observed from other laboratories in niobium cavity doping experiments. Understanding the origin and the role of these defects could provide direction for improving material specifications as well as improving fabrication control from sheet material to completed cavity. In particular, we will demonstrate that dislocation entanglements, due to the fabrication damage layer, have the strongest impact for the pinning behavior of trapped flux, as well as hydrogen segregation in cavity niobium. The author wishes to present to the superconducting radio frequency (SRF) accelerator community the synthesis of experimental results scattered in the literature, completed with some personal results. The results of this effort provide a new perspective on recently published work in the domain of SRF cavity doping and sensitivity to trapped flux during cooldown. I will also try to draw whenever possible, some conclusions about other types of superconductors used for SRF applications including $\mathrm{Nb}/\mathrm{Cu}$ thin films and to discuss their possible change of behavior with field or frequency. I will concentrate on surface and material science aspects since the experimental results on rf cavities have already been treated elsewhere.

Poly(3-alkylthiophene)- block-poly(3-alkylselenophene)s: Conjugated Diblock Co-polymers with Atypical Self-Assembly Behavior.

Understanding self-assembly behavior and resulting morphologies in block co-polymer films is an essential aspect of chemistry and materials science. Although the self-assembly of amorphous coil-coil block co-polymers is relatively well understood, that of semicrystalline block co-polymers where each block has distinct crystallization properties remains unclear. Here, we report a detailed study to elucidate the rich self-assembly behavior of conjugated thiophene-selenophene (P3AT- b-P3AS) block co-polymers. Using a combination of microscopy and synchrotron-based X-ray techniques, we show that three different film morphologies, denoted as lamellae, co-crystallized fibers, and patchy fibers, arise from the self-assembly of these block co-polymers over a relatively narrow range of overall degrees of polymerization (30 < N < 90). Crystallization-driven phase separation occurs at a very low N (<35), and lamellar films are formed. Conversely, at medium N (50-60) and high N (>80), the thiophene and selenophene blocks co-crystallize into nanofibers, where medium N leads to much more mixing than high N. The overall tendency for phase separation in these systems follows rather different trends than phase separation in amorphous polymers in that we observe the greatest degree of phase separation at the lowest N. Finally, we demonstrate how each morphology influences transport properties in organic thin-film transistors comprised of these conjugated polymers.

Investigation on the stable and stick-slip crack propagation behaviors in double cantilever beam test

ABSTRACT The stable and stick-slip crack propagation behaviors with pure cohesive fracture are observed in the adhesively bonded AA7075-T6 double cantilever beam tests using Henkel Terokal 5089 and Darbond EP-1506 structural adhesives. The ratio of the fracture toughness between the fast crack propagation stage and initiation stage is found to be a key factor that governs the fracture behavior. A theoretical model based on the energy conservation is established to quantitatively predict the crack length in the fast propagation stage using the pre-described ratio. A new parameter is proposed to characterize the fracture toughness of adhesive that exhibits stick-slip fracture behavior. The finite element simulation with cohesive zone model and an innovative technique is performed to successfully mimic the stick-slip fracture behavior, as the simulated load versus opening displacement curve agrees well with the test result. The mechanism of the stick-slip fracture behavior is justified from mechanical and material science aspects. Given that the fracture toughness in crack initiation stage is greater than that in propagation stage, methods to arrest the crack in propagation stage and get it back to initiation stage deserve further investigations, which could be an effective way to enhance the fracture resistance of the adhesively bonded joints.

Materials science aspects of stress corrosion cracking of Russian pipelines

The work describes the features of stress corrosion cracking (SCC) on Russian gas pipelines. The influence of metal parameters of pipelines on the propagation of SCC is described. The main diagnostic features of SCC used for identification of this type of fracture, the stages of crack growth and the effect of microstructural metal parameters on their propagation are described. Accounting methods for main features crack initiation and growth in order to improve the resistance of the main pipelines metal to SCC are proposed