jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gustav Mörée | Mats Leijon
Source: Energies (article, 2023-05-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Review of Hysteresis Models for Magnetic Materials There are several models for magnetic hysteresis. Their key purposes are to model magnetization curves with a history dependence to achieve hysteresis cycles without a frequency dependence. There are different approaches to handling history dependence. The two main categories are Duhem-type models and Preisach-type models. Duhem models handle it via a simple directional dependence on the flux rate, without a proper memory. While the Preisach type model handles it via memory of the point where the direction of the flux rate is changed. The most common Duhem model is the phenomenological Jiles–Atherton model, with examples of other models including the Coleman–Hodgdon model and the Tellinen model. Examples of Preisach type models are the classical Preisach model and the Prandtl–Ishlinskii model, although there are also many other models with adoptions of a similar history dependence. Hysteresis is by definition rate-independent, and thereby not dependent on the speed of the alternating flux density. An additional rate dependence is still important and often included in many dynamic hysteresis models. The Chua model is common for modeling non-linear dynamic magnetization curves; however, it does not define classical hysteresis. Other similar adoptions also exist that combine hysteresis modeling with eddy current modeling, similar to how frequency dependence is included in core loss modeling. Most models are made for scalar values of alternating fields, but there are also several models with vector generalizations that also consider three-dimensional directions. Preisach model of hysteresis ; Hysteresis ; Phenomenological model ; Type (biology) ; Magnetization ; Statistical physics ; Magnetic hysteresis ; Flux (metallurgy) ; Physics ; Eddy current ; Point (geometry) ; Magnetic flux ; Core model ; Scalar (mathematics) ; Condensed matter physics ; Mathematics ; Mathematical analysis ; Materials science ; Magnetic field ; Quantum mechanics ; Geology Magnetic Properties and Applications ; Magnetic properties of thin films ; Electric Motor Design and Analysis
Authors: Zhilong Wang | An Chen | Kehao Tao | Yanqiang Han | Jinjin Li
Source: Advanced Materials (review, 2023-10-09)
Field: Materials Science — Materials Chemistry

MatGPT: A Vane of Materials Informatics from Past, Present, to Future Combining materials science, artificial intelligence (AI), physical chemistry, and other disciplines, materials informatics is continuously accelerating the vigorous development of new materials. The emergence of "GPT (Generative Pre-trained Transformer) AI" shows that the scientific research field has entered the era of intelligent civilization with "data" as the basic factor and "algorithm + computing power" as the core productivity. The continuous innovation of AI will impact the cognitive laws and scientific methods, and reconstruct the knowledge and wisdom system. This leads to think more about materials informatics. Here, a comprehensive discussion of AI models and materials infrastructures is provided, and the advances in the discovery and design of new materials are reviewed. With the rise of new research paradigms triggered by "AI for Science", the vane of materials informatics: "MatGPT", is proposed and the technical path planning from the aspects of data, descriptors, generative models, pretraining models, directed design models, collaborative training, experimental robots, as well as the efforts and preparations needed to develop a new generation of materials informatics, is carried out. Finally, the challenges and constraints faced by materials informatics are discussed, in order to achieve a more digital, intelligent, and automated construction of materials informatics with the joint efforts of more interdisciplinary scientists. Materials informatics ; Informatics ; Engineering informatics ; Generative grammar ; Computer science ; Data science ; Artificial intelligence ; Health informatics ; Engineering ; Electrical engineering Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides ; Electron and X-Ray Spectroscopy Techniques
Authors: Muneer Ahmed. Musthaq | Hom Nath Dhakal | Zhongyi Zhang | Antigoni Barouni | Rizal Zahari
Source: Polymers (review, 2023-02-28)
Field: Materials Science — Polymers and Plastics

The Effect of Various Environmental Conditions on the Impact Damage Behaviour of Natural-Fibre-Reinforced Composites (NFRCs)—A Critical Review Studies into environmental conditions and their effects on the properties of renewable materials are gaining significant attention in the research field, particularly for natural fibres and their resultant composites. However, natural fibres are prone to water absorption because of the hydrophilic nature of the fibres, which affects the overall mechanical properties of natural-fibre-reinforced composites (NFRCs). In addition, NFRCs are based mainly on thermoplastic and thermosetting matrices, which could be used in automobile and aerospace components as lightweight materials. Therefore, such components have to survive the maximum temperature and humid conditions in different parts of the world. Based on the above factors, through an up-to-date review, this paper critically discusses the effects of environmental conditions on the impact performance of NFRCs. In addition, this paper critically assesses the damage mechanisms of NFRCs and their hybrids by focusing more on moisture ingress and relative humidity in the impact damage behaviour of NFRCs. Composite material ; Materials science ; Thermosetting polymer ; Natural fiber ; Thermoplastic composites ; Relative humidity ; Absorption of water ; Thermoplastic ; Moisture ; Composite number Natural Fiber Reinforced Composites ; Additive Manufacturing and 3D Printing Technologies ; Cellular and Composite Structures
Authors: Yaqi Qin | Guoping Lu | Feng Yang | Chunhua Xu | Shuaijie Jiang | Yuqiu Wang | Yuxin Tang | Pengcheng Wang
Source: Materials Advances (review, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Heteroatom-doped transition metal hydroxides in energy storage and conversion: a review There are four functions of heteroatom doping on TMHs: (1) form a multi-component TMHs to adjust metal valence ratio; (2) increase active metal sites; (3) tune electronic states; (4) increase the interlayer spacing. Heteroatom ; Doping ; Transition metal ; Metal ; Valence (chemistry) ; Materials science ; Inorganic chemistry ; Chemistry ; Catalysis ; Metallurgy ; Organic chemistry ; Optoelectronics Supercapacitor Materials and Fabrication ; Layered Double Hydroxides Synthesis and Applications ; Advanced battery technologies research
Authors: Xiaobing Yan | Ying Zhao | Gang Cao | Xiaoyu Li | Chao Gao | Luan Liu | Shakeel Ahmed | Faizah Altaf | Hui Tan | Xiaopeng Ma | Zhongjian Xie | Han Zhang
Source: Advanced Science (review, 2023-01-22)
Field: Materials Science — Materials Chemistry

2D Organic Materials: Status and Challenges In the past few decades, 2D layer materials have gradually become a central focus in materials science owing to their uniquely layered structural qualities and good optoelectronic properties. However, in the development of 2D materials, several disadvantages, such as limited types of materials and the inability to synthesize large-scale materials, severely confine their application. Therefore, further exploration of new materials and preparation methods is necessary to meet technological developmental needs. Organic molecular materials have the advantage of being customizable. Therefore, if organic molecular and 2D materials are combined, the resulting 2D organic materials would have excellent optical and electrical properties. In addition, through this combination, the free design and large-scale synthesis of 2D materials can be realized in principle. Furthermore, 2D organic materials exhibit excellent properties and unique functionalities along with great potential for developing sensors, biomedicine, and electronics. In this review, 2D organic materials are divided into five categories. The preparation methods and material properties of each class of materials are also described in detail. Notably, to comprehensively understand each material's advantages, the latest research applications for each material are presented in detail and summarized. Finally, the future development and application prospects of 2D organic materials are briefly discussed. Nanotechnology ; Materials science ; Characterization (materials science) ; Electronics ; Computer science ; Engineering ; Electrical engineering Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Mohammad Mehdi Sabzehmeidani | Mahmood Kazemzad
Source: Biomaterials Research (review, 2023-02-09)
Field: Materials Science — Materials Chemistry

Recent advances in surface-mounted metal–organic framework thin film coatings for biomaterials and medical applications: a review Coatings of metal-organic frameworks (MOFs) have potential applications in surface modification for medical implants, tissue engineering, and drug delivery systems. Therefore, developing an applicable method for surface-mounted MOF engineering to fabricate protective coating for implant tissue engineering is a crucial issue. Besides, the coating process was desgined for drug infusion and effect opposing chemical and mechanical resistance. In the present review, we discuss the techniques of MOF coatings for medical application in both in vitro and in vivo in various systems such as in situ growth of MOFs, dip coating of MOFs, spin coating of MOFs, Layer-by-layer methods, spray coating of MOFs, gas phase deposition of MOFs, electrochemical deposition of MOFs. The current study investigates the modification in the implant surface to change the properties of the alloy surface by MOF to improve properties such as reduction of the biofilm adhesion, prevention of infection, improvement of drugs and ions rate release, and corrosion resistance. MOF coatings on the surface of alloys can be considered as an opportunity or a restriction. The presence of MOF coatings in the outer layer of alloys would significantly demonstrate the biological, chemical and mechanical effects. Additionally, the impact of MOF properties and specific interactions with the surface of alloys on the anti-microbial resistance, anti-corrosion, and self-healing of MOF coatings are reported. Thus, the importance of multifunctional methods to improve the adhesion of alloy surfaces, microbial and corrosion resistance and prospects are summarized. Materials science ; Corrosion ; Coating ; Surface engineering ; Surface modification ; Nanotechnology ; Layer (electronics) ; Tissue engineering ; Adhesion ; Drug delivery ; Chemical engineering ; Metallurgy ; Composite material ; Biomedical engineering Corrosion Behavior and Inhibition ; Metal-Organic Frameworks: Synthesis and Applications ; Metal and Thin Film Mechanics
Authors: Hao Suo | Dongxu Guo | Peihang Zhao | Xin Zhang | Yu Wang | Weilin Zheng | Panlai Li | Tao Yin | Li Guan | Zhijun Wang | Feng Wang
Source: Advanced Science (article, 2023-12-11)
Field: Materials Science — Materials Chemistry

Ultrasensitive Colorimetric Luminescence Thermometry by Progressive Phase Transition Luminescent materials that display quick spectral responses to thermal stimuli have attracted pervasive attention in sensing technologies. Herein, a programmable luminescence color switching in lanthanide-doped LiYO<sub>2</sub> under thermal stimuli, based on deliberate control of the monoclinic (β) to tetragonal (α) phase transition in the crystal lattice, is reported. Specifically, a lanthanide-doping (Ln<sup>3+</sup> ) approach to fine-tune the phase-transition temperature in a wide range from 294 to 359 K is developed. Accordingly, an array of Ln<sup>3+</sup> -doped LiYO<sub>2</sub> crystals that exhibit progressive phase transition, and thus sequential color switching at gradually increasing temperatures, is constructed. The tunable optical response to thermal stimuli is harnessed for colorimetric temperature indication and quantitative detection, demonstrating superior sensitivity and temperature resolution (S<sub>r</sub> = 26.1% K<sup>-1</sup> , δT = 0.008 K). The advances in controlling the phase-transition behavior of luminescent materials also offer exciting opportunities for high-performance personalized health monitoring. Luminescence ; Tetragonal crystal system ; Monoclinic crystal system ; Phase transition ; Materials science ; Doping ; Lanthanide ; Phase (matter) ; Thermal ; Optoelectronics ; Luminescent Measurements ; Analytical Chemistry (journal) ; Nanotechnology ; Crystal structure ; Chemistry ; Crystallography ; Condensed matter physics ; Thermodynamics Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Luminescence and Fluorescent Materials
Authors: Samad Mussa Farkhani | Pouya Dehghankelishadi | Ahmed Refaat | Deepagan Veerasikku Gopal | Anna Cifuentes‐Rius | Nicolas H. Voelcker
Source: Progress in Materials Science (article, 2023-12-12)
Field: Materials Science — Materials Chemistry

Tailoring gold nanocluster properties for biomedical applications: From sensing to bioimaging and theranostics Gold nanomaterials have emerged as versatile systems which hold a great promise for several biomedical applications. Among them, gold nanoclusters (AuNCs), ultra-small nanoparticles, have gained attention due to their unique optical and electronic properties arising from their small size, quantum confinement effects, and surface ligands. Their biocompatibility, efficient renal clearance, photoluminescence (PL), and catalytic activity make them great candidates for practical biomedical applications, such as bioimaging and therapy. In this review, we devote our attention to the burgeoning research in this area focusing on three main and highly intertwined topics. First, we present the different methods for AuNC synthesis alongside the key properties of AuNCs (magnetism, catalytic activity and PL). This is followed by a description on how to fine-tune PL as their key optical property. Lastly, the potential applications of AuNCs are discussed in detail, with a particular focus on sensing, bioimaging, and on nanomedicine. Nanoclusters ; Nanotechnology ; Materials science ; Nanomedicine ; Nanomaterials ; Biocompatibility ; Photoluminescence ; Quantum dot ; Nanoparticle ; Colloidal gold ; Optoelectronics ; Metallurgy Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Zhe Lian | Jing He | Lin Liu | Yanqing Fan | Xuebo Chen | Hua Jiang
Source: Nature Communications (article, 2023-05-12)
Field: Materials Science — Materials Chemistry

[2,2] Paracyclophanes-based double helicates for constructing artificial light-harvesting systems and white LED device The construction of efficient artificial light-harvesting systems (ALHSs) is of vital importance in utilizing solar energy. Herein, we report the non-covalent syntheses of double helicates PCP-TPy1/2 and Rp,Rp-PCP-TPy1/2 by metal-coordination interaction and their applications in ALHSs and white light-emitting diode (LED) device. All double helicates exhibit significant aggregation-induced emission in tetrahydrofuran/water (1:9, v/v) solvent. The aggregated double helicates can be used to construct one-step or sequential ALHSs with fluorescent dyes Eosin Y (EsY) and Nile red (NiR) with the energy transfer efficiency up to 89.3%. Impressively, the PMMA film of PCP-TPy1 shows white-light emission when doped 0.075% NiR, the solid of double helicates (Rp,Rp-) PCP-TPy2 can be used as the additive of a blue LED bulb to achieve white-light emission. In this work, we provided a general method for the preparation of novel double helicates and explored their applications in ALHSs and fluorescent materials, which will promote future construction and application of helicates as emissive devices. White light ; White (mutation) ; Computer science ; Computational biology ; Biology ; Materials science ; Optoelectronics ; Biochemistry Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds
Authors: Anindya Mukherjee | Martin Koller
Source: Bioengineering (review, 2023-07-19)
Field: Materials Science — Biomaterials

Microbial PolyHydroxyAlkanoate (PHA) Biopolymers—Intrinsically Natural Global pollution from fossil plastics is one of the top environmental threats of our time. At their end-of-life phase, fossil plastics, through recycling, incineration, and disposal result in microplastic formation, elevated atmospheric CO<sub>2</sub> levels, and the pollution of terrestrial and aquatic environments. Current regional, national, and global regulations are centered around banning plastic production and use and/or increasing recycling while ignoring efforts to rapidly replace fossil plastics through the use of alternatives, including those that occur in nature. In particular, this review demonstrates how microbial polyhydroxyalkanoates (PHAs), a class of intrinsically natural polymers, can successfully remedy the fossil and persistent plastic dilemma. PHAs are bio-based, biosynthesized, biocompatible, and biodegradable, and thus, domestically and industrially compostable. Therefore, they are an ideal replacement for the fossil plastics pollution dilemma, providing us with the benefits of fossil plastics and meeting all the requirements of a truly circular economy. PHA biopolyesters are natural and green materials in all stages of their life cycle. This review elaborates how the production, consumption, and end-of-life profile of PHAs are embedded in the current and topical, 12 Principles of Green Chemistry, which constitute the basis for sustainable product manufacturing. The time is right for a paradigm shift in plastic manufacturing, use, and disposal. Humankind needs alternatives to fossil plastics, which, as recalcitrant xenobiotics, contribute to the increasing deterioration of our planet. Natural PHA biopolyesters represent that paradigm shift. Polyhydroxyalkanoates ; Fossil fuel ; Dilemma ; Bioplastic ; Environmental pollution ; Waste management ; Plastic pollution ; Natural resource economics ; Environmental science ; Pollution ; Biochemical engineering ; Engineering ; Environmental protection ; Ecology ; Biology biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Baoquan Wan | Mengyu Xiao | Xiaodi Dong | Xing Yang | Ming‐Sheng Zheng | Zhi‐Min Dang | George Chen | Jun‐Wei Zha
Source: Advanced Materials (article, 2023-06-29)
Field: Materials Science — Polymers and Plastics

Dynamic Covalent Adaptable Polyimide Hybrid Dielectric Films with Superior Recyclability Polyimides (PIs) used in advanced electrical and electronic devices can be electrically/mechanically damaged, resulting in a significant waste of resources. Closed-loop chemical recycling may prolong the service life of synthetic polymers. However, the design of dynamic covalent bonds for preparing chemically recyclable crosslinked PIs remains a challenging task. Herein, new crosslinked PI films containing a PI oligomer, chain extender, and crosslinker are reported. They exhibit superior recyclability and excellent self-healable ability owing to the synergistic effect of the chain extender and crosslinker. The produced films can be completely depolymerized in an acidic solution at ambient temperature, leading to efficient monomer recovery. The recovered monomers may be used to remanufacture crosslinked PIs without deteriorating their original performance. In particular, the designed films can serve as corona-resistant films with a recovery rate of approximately 100%. Furthermore, carbon fiber reinforced composites (CFRCs) with PI matrices are suitable for harsh environments and can be recycled multiple times at a non-destructive recycling rate up to 100%. The preparation of high-strength dynamic covalent adaptable PI hybrid films from simple PI oligomers, chain extenders, and crosslinkers may provide a solid basis for sustainable development in the electrical and electronic fields. Materials science ; Polyimide ; Dielectric ; Covalent bond ; Nanotechnology ; Composite material ; Optoelectronics ; Organic chemistry Synthesis and properties of polymers ; Dielectric materials and actuators ; Polymer composites and self-healing
Authors: Qiuping Li | You Zhou
Source: RSC Advances (review, 2023-01-01)
Field: Chemistry — Spectroscopy

Recent advances in fluorescent materials for mercury(<scp>ii</scp>) ion detection Invading mercury would cause many serious health hazards such as kidney damage, genetic freak, and nerve injury to human body. Thus, developing highly efficient and convenient mercury detection methods is of great significance for environmental governance and protection of public health. Motivated by this problem, various testing technologies for detecting trace mercury in the environment, food, medicines or daily chemicals have been developed. Among them, the fluorescence sensing technology is a sensitive and efficient detection method for detecting Hg<sup>2+</sup> ions due to its simple operation, rapid response and economic value. This review aims to discuss the recent advances in fluorescent materials for Hg<sup>2+</sup> ion detection. We reviewed the Hg<sup>2+</sup> sensing materials and divided them into seven categories according to the sensing mechanism: static quenching, photoinduced electron transfer, intramolecular charge transfer, aggregation-induced emission, metallophilic interaction, mercury-induced reactions and ligand-to-metal energy transfer. The challenges and prospects of fluorescent Hg<sup>2+</sup> ion probes are briefly presented. We hope that this review can provide some new insights and guidance for the design and development of novel fluorescent Hg<sup>2+</sup> ion probes to promote their applications. Mercury (programming language) ; Fluorescence ; Chemistry ; Ion ; Nanotechnology ; Computer science ; Materials science ; Physics ; Organic chemistry Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Mercury impact and mitigation studies
Authors: Matthew Witman | Anuj Goyal | Tadashi Ogitsu | Anthony H. McDaniel | Stephan Lany
Source: Nature Computational Science (article, 2023-08-10)
Field: Materials Science — Materials Chemistry

Defect graph neural networks for materials discovery in high-temperature clean-energy applications Artificial neural network ; Vacancy defect ; Computer science ; Graph ; Graph theory ; Materials science ; Computational science ; Theoretical computer science ; Machine learning ; Chemistry ; Mathematics ; Crystallography Machine Learning in Materials Science ; Catalysis and Oxidation Reactions ; Chemical Looping and Thermochemical Processes
Authors: Suiying Ye | Nastaran Meftahi | Igor Lyskov | Tian Tian | Richard Whitfield | Sudhir Kumar | Andrew J. Christofferson | David A. Winkler | Chih‐Jen Shih | Salvy P. Russo | Jean‐Christophe Leroux | Yinyin Bao
Source: Chem (article, 2023-01-02)
Field: Materials Science — Materials Chemistry

Machine learning-assisted exploration of a versatile polymer platform with charge transfer-dependent full-color emission Polymer ; Atom-transfer radical-polymerization ; Fluorophore ; Materials science ; Pyrene ; Copolymer ; Acceptor ; Photochemistry ; Surface modification ; Polymerization ; Nanotechnology ; Fluorescence ; Chemistry ; Organic chemistry ; Physical chemistry Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Molecular Sensors and Ion Detection