jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Danatbek Murzalinov | Tatyana Seredavina | Ainagul Kemelbekova | Yu. M. Spivak | В. А. Мошников | Daniya Mukhamedshina | K.A. Mit’ | Nurzhan Ussipov | Elena Dmitriyeva | Sultan Zhantuarov | Sayora Ibraimova | Kazybek Aimaganbetov | Ekaterina Bondar | Anastasiya Fedosimova
Source: Processes (article, 2023-11-30)
Field: Materials Science — Materials Chemistry

Investigation of Surface Nanoclusters and Paramagnetic Centers of ZnO/Por-Si Structures as the Basis of Sensory Properties The detection of particles with uncompensated charge and the determination of the features of their interaction during the formation of nanocrystals on substrates with a developed surface are an interesting area of research. The porous surface formed via the electrochemical etching of silicon acquired fractal properties as a result of the deposition of zinc oxide layers. Microscopy methods using different resolutions revealed a hierarchical structure of the surface, where each of the three consecutive levels contains uniformly distributed formations. The deposition of 20 layers of ZnO maximizes the concentration of nanocrystals at the pore boundaries, while the deposition of 25 layers leads to the formation of a continuous layer. The increase in photoluminescence intensity with an increase in the number of deposited layers is due to the saturation of surface nanostructures with electrons through several mechanisms. Electron paramagnetic resonance (EPR) studies have shown that the main mechanism of radiation recombination is the capture of electrons on oxygen vacancies. The different nature of the EPR saturation of the signal of interconnected paramagnetic centers revealed the formation of zinc oxide particles at the boundaries of pores with different sizes. The results of these studies of surface-active structures effectively complement the knowledge about sensory materials. Electron paramagnetic resonance ; Materials science ; Nanoclusters ; Paramagnetism ; Photoluminescence ; Chemical physics ; Saturation (graph theory) ; Nanocrystal ; Nanotechnology ; Deposition (geology) ; Silicon ; Chemistry ; Nuclear magnetic resonance ; Optoelectronics ; Condensed matter physics ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Mercury impact and mitigation studies
Authors: Nan He | Tingbiao Guo | Yi Jin | Sailing He
Source: Applied Sciences (article, 2023-04-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All-in-One Collimating Splitter Based on a Meta-Fiber Platform The use of array generators has become ubiquitous in various applications such as laser fabrication, face identification, and motion sensing. The Dammann grating, a diffractive optical element, is the mainstream approach for generating uniform spot arrays. However, its limited capability and the contradiction between the performance and the complexity of fabrication hinder its application. To address this issue, an all-in-one collimating splitter based on metasurfaces is theoretically proposed by synthesizing the phase of an inverse-optimized Dammann grating and a collimating lens. Leveraging both the diffraction effect of Dammann grating and the Fourier transformation of the collimating lens, the number of spot arrays can be largely increased with a single lenslet. The proposed design shows a large field of view of 62° × 62° and a high uniformity of 1.29% in generating a spot array of 3 × 3 on a single-fiber platform, confirmed by both the scalar and full-wave simulation. Further, a larger spot array up to 15 × 15 is also derived in the far field by integrating the proposed metasurface on a 5 × 5 fiber array platform, confirmed by the scalar simulation. Our design may be transplanted to the vertical-cavity surface-emitting laser platform, and shows great potential in various applications including face identification and motion sensing. Optics ; Splitter ; Collimated light ; Grating ; Wavefront ; Microlens ; Computer science ; Holography ; Lens (geology) ; Laser ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Photonic Crystals and Applications
Authors: Jingjie He | Nikita Degtyarev
Source: Bulletin of the Atomic Scientists (article, 2023-09-03)
Field: Materials Science — Materials Chemistry

AI and atoms: How artificial intelligence is revolutionizing nuclear material production The associability of artificial intelligence (AI) as a dual-use technology for nuclear material production (NMP) within the academic and practitioner communities remains widely neglected, and so a widening opportunity for AI to aid in illicit and covert non-peaceful applications exists. To address this emerging gap, this paper investigates the evolving and applicable uses of AI and finds broad evidence of its use to optimize performance, promote innovation, reduce costs, and enhance safety associated with the development and production of nuclear material. AI’s use in this arena will, thereby, facilitate broader accessibility of peaceful uses of nuclear science and technology, while at the same time cause concerns that said improvements can aid the illicit development of nuclear weapons. As such, this paper advocates for a three-dimensional solution to manage the evolving dual-use concern of AI that involves advancing states-centric monitoring and regulation, promoting intellectual exchange between the nonproliferation sector and the AI industry, and encouraging AI industrial contributions. Covert ; Production (economics) ; Nuclear weapon ; Dual (grammatical number) ; Business ; Computer security ; Political science ; Computer science ; Law ; Economics Graphite, nuclear technology, radiation studies ; Nuclear reactor physics and engineering ; Nuclear and radioactivity studies
Authors: Robert F. Service
Source: Science (article, 2023-04-20)
Field: Materials Science — Materials Chemistry

AI-driven robotics lab joins the hunt for materials breakthroughs Setup is the first fully automated effort seeking novel inorganic materials for emerging technologies. Joins ; Robotics ; Artificial intelligence ; Computer science ; Nanotechnology ; Robot ; Materials science MXene and MAX Phase Materials ; Machine Learning in Materials Science ; Catalytic Processes in Materials Science
Authors: Xiaolong He | Jiun-Shyan
Source:  (preprint, 2023-09-20)
Field: Materials Science — Materials Chemistry

Thermodynamically Consistent Machine-Learned Internal State Variable Approach for Data-Driven Modeling of Path-Dependent Materials Path (computing) ; Variable (mathematics) ; State variable ; State (computer science) ; Computer science ; Statistical physics ; Thermodynamics ; Algorithm ; Mathematics ; Physics Machine Learning in Materials Science ; Electron and X-Ray Spectroscopy Techniques
Authors: Yuwei Mao | Mahmudul Hasan | Claire Lee | Muhammed Nur Talha Kilic | Vishu Gupta | Wei‐keng Liao | Alok Choudhary | Pınar Acar | Ankit Agrawal
Source:  (article, 2023-12-15)
Field: Materials Science — Materials Chemistry

A Deep Learning Framework for Time-Series Processing-Microstructure-Property Prediction A process simulator provides valuable insights into the evolution of microstructures under various elementary processes, employing the Orientation Distribution Function (ODF) as a representation of the microstructure's texture. However, such simulations often involve complex physical computations, making them time-consuming. To address this, our study introduces an artificial intelligence (AI)-based framework to predict the microstructural texture of polycrystalline materials using a specified deformation process. As a case study, we apply our framework to copper. The dataset includes 3,125 unique processing parameter combinations and their corresponding ODF vectors generated using a process simulator. The resulting predictions enable the calculation of homogenized properties. As opposed to traditional material processing simulations, our AI-driven framework offers faster results with minimal error rates (less than 0.5%). This indicates that our approach is a promising tool for rapidly predicting processing-specific microstructures and properties, thereby offering significant improvements over conventional simulation techniques. Property (philosophy) ; Series (stratigraphy) ; Computer science ; Time series ; Artificial intelligence ; Deep learning ; Machine learning ; Geology Machine Learning in Materials Science
Authors: Elham Gharibshahi | Miltiadis Alamaniotis
Source: Nuclear Technology (article, 2023-10-10)
Field: Materials Science — Materials Chemistry

Artificial Intelligence Detection System of Radioactive Nanocomposites in Liquid-Filled Containers for Nuclear Security Nuclear terrorism resulting from the illicit trafficking of nuclear and radioactive materials consists of a serious threat against the security of countries. Hence, the transportation of hidden nuclear materials in large-scale cargos has emerged as an important public issue that requires immediate attention. The security architecture should merge the nuclear security systems and execute a procedure for the detection of nuclear and radioactive materials. In this regard, the detection of special nuclear materials (SNMs) in liquid-filled cargo containers is an essential matter of homeland security because of the difficulties imposed by liquids in performing efficient manual inspection. This paper presents a new artificial intelligence (AI) system implemented with fuzzy logic tools for detecting composite materials, including Pb-Th, Pb-U, and Pb-Co, in containers filled with water by utilizing optical signature information obtained with COMSOL. The developed AI system and its underlying method are validated for a scenario of detecting Pb-Th, Pb-U, and Pb-Co in water-filled containers. Nuclear engineering ; Radiochemistry ; Radioactive waste ; Materials science ; Chemistry ; Nuclear chemistry ; Engineering Graphite, nuclear technology, radiation studies
Authors: Tao Ma | Gaochong Liu | Linxing Su | Shaohui Liu | Heng Liu
Source: Optics Communications (article, 2023-12-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electro-optical modulator based on lithium niobate notched-ring plasmonic metasurface coated with electro-optical polymer Lithium niobate ; Materials science ; Modulation (music) ; Optical modulator ; Extinction ratio ; Optics ; Optoelectronics ; Plasmon ; Optical communication ; Wavelength ; Phase modulation ; Physics Metamaterials and Metasurfaces Applications ; Optical Wireless Communication Technologies ; Photonic and Optical Devices
Authors: Fusheng Yang | Zih-Ying Fu | Liang-Chia Chen
Source:  (article, 2023-04-27)
Field: Materials Science — Surfaces, Coatings and Films

AI-guided OCD metrology for single HAR sub-micron via measurement Global semiconductor packaging manufacturers are developing advanced process technologies with the rapid rise of heterogeneous packaging and 3D packaging. High-aspect-ratio (HAR) structures like through silicon vias (TSV) or redistribution layers (RDL) that come with the prevalence of 3D packaging technology have further significantly increased the difficulties in optical critical dimension (OCD) metrology. Due to emerging technical challenges, effective sub-micron HAR OCD solutions are highly demanded to resolve the technical bottleneck. Thus, This article presents an AI-guided method for simulating and building a training dataset using the finite difference time domain (FDTD), then forming a DNN model for reconstructing CDs. At the same time, an optical scatterometry-based microscope was developed to adopt optical light capable of penetrating a sub-micron opening size structure and characterizing critical dimensions such as top critical dimension (TCD) and depth. In the optical system design, the optical FOV can be narrowed down only to cover a single sub-micron structure for OCD metrology. A preliminary test verified that a single sub-micron structure with an aspect ratio of 1:3.3 and the maximum bias between the measured data and the SEM references could be kept within a few tens of nanometers for its depth, TCD, and BCD measurement. Critical dimension ; Metrology ; Bottleneck ; Finite-difference time-domain method ; Materials science ; Computer science ; Through-silicon via ; Dimension (graph theory) ; Optics ; Silicon ; Optoelectronics ; Physics ; Embedded system Optical Coatings and Gratings ; Surface Roughness and Optical Measurements ; Near-Field Optical Microscopy
Authors: Takahito Otsuka | Ryohei Oka | Masayuki Karasuyama | Tomokatsu Hayakawa
Source: physica status solidi (RRL) - Rapid Research Letters (article, 2023-09-04)
Field: Materials Science — Materials Chemistry

Photoluminescence Color Prediction for Eu<sup>3+</sup>‐Doped Perovskite Red Phosphors Using Machine Learning Currently, data‐driven approaches for exploring novel materials are garnering significant attention with the expectation of accelerating material development cycles and understanding materials from various aspects. This short article presents a supervised prediction model for the emission intensity ratio of 5 D 0 – 7 F 2 and 5 D 0 – 7 F 1 transition of Eu 3+ ions, called an “asymmetry ratio”, which determines the color purity of the red region of Eu 3+ photoluminescence in perovskite phosphors. The model is developed using a dataset of 296 samples and 203 descriptors for Eu 3+ ‐doped perovskite. The accuracy of the prediction model trained by the dataset is statistically evaluated, which validates its sufficiently high prediction performance. Furthermore, the prediction model's performance is properly assessed by synthesizing a Eu 3+ ‐doped NaLaInNbO 6 compound, which is unknown as a red phosphor, and by comparing the experimental asymmetry ratio for this compound with that predicted by the predictor, which exhibits satisfactory agreement. Phosphor ; Photoluminescence ; Doping ; Materials science ; Perovskite (structure) ; Analytical Chemistry (journal) ; Optoelectronics ; Chemistry ; Crystallography ; Chromatography Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Radiation Detection and Scintillator Technologies
Authors: Hao-Qiang Pang | Xia Shao | Zi-Tong Zhang | Xin Xie | Liang-Miao Zhang | Xue Chen | Tianyuan Liu | Yanfeng Gao
Source: International Journal of Thermophysics (article, 2023-10-31)
Field: Chemistry — Spectroscopy

Inverse Analysis of Monolithic Silica Aerogel’s Thermophysical Properties Under Limited Measurement Using Differentiable Learning Aerogel ; Thermal conductivity ; Inverse ; Materials science ; Differentiable function ; Inverse problem ; Thermodynamics ; Temperature measurement ; Steady state (chemistry) ; Thermal ; Fourier transform ; Mechanics ; Computational physics ; Composite material ; Mathematical analysis ; Physics ; Chemistry ; Mathematics ; Physical chemistry ; Geometry Aerogels and thermal insulation ; Spacecraft and Cryogenic Technologies ; Gas Sensing Nanomaterials and Sensors
Authors: Gean Bezerra da Costa | David Fernandes | Germano Véras | Paulo Henrique Gonçalves Dias Diniz | Amanda Duarte Gondim
Source: Vibrational Spectroscopy (article, 2023-09-06)
Field: Chemistry — Analytical Chemistry

Non-destructive analytical strategies based on NIR spectroscopy for monitoring the quality of biodiesel/diesel blends in terms of the authentication of second-generation biodiesel feedstock using DD-SIMCA and quantification of the biodiesel content using iSPA-PLS Biodiesel ; Diesel fuel ; Raw material ; Process engineering ; Environmental science ; Pulp and paper industry ; Mathematics ; Computer science ; Waste management ; Engineering ; Chemistry Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Water Quality Monitoring and Analysis
Authors: J. Ping Liu | Octavio Martinez Perez | Dominic Lavergne | Loorthuraja Rasu | Elizabeth Murphy | Andy Gálvez-Rodríguez | Steven H. Bergens
Source: Polymers (article, 2023-08-08)
Field: Materials Science — Polymers and Plastics

One-Step Electropolymerization of a Dicyanobenzene-Carbazole-Imidazole Dye to Prepare Photoactive Redox Polymer Films To the best of our knowledge, this study reports the first direct electropolymerization of a dicyanobenzene-carbazole dye functionalized with an imidazole group to prepare redox- and photoactive porous organic polymer (POP) films in controlled amounts. The POP films were grown on indium-doped tin oxide (ITO) and carbon surfaces using a new monomer, 1-imidazole-2,4,6-tri(carbazol-9-yl)-3,5-dicyanobenzene (<b>1</b>, 3CzImIPN), through a simple one-step process. The structure and activities of the POP films were investigated as photoelectrodes for electrooxidations, as heterogeneous photocatalysts for photosynthetic olefin isomerizations, and for solid-state photoluminescence behavior tunable by lithium-ion concentrations in solution. The results demonstrate that the photoredox-POPs can be used as efficient photocatalysts, and they have potential applications in sensing. Carbazole ; Materials science ; Redox ; Photochemistry ; Polymer ; Electrochromism ; Photoluminescence ; Monomer ; Indium tin oxide ; Imidazole ; Electroactive polymers ; Chemical engineering ; Chemistry ; Organic chemistry ; Nanotechnology ; Thin film ; Electrode Conducting polymers and applications ; Covalent Organic Framework Applications ; Luminescence and Fluorescent Materials
Authors: Elysa Nensy Irawan | Fahrur Aslami | Muhammad Matthew Janotama | Aldo Mahendra Putra | Melania Suweni Muntini | Somporn Thaowankaew | Wanatchaporn Namhongsa | Athorn Vora–ud | Kunchit Singsoog | Tosawat Seetawan
Source: Journal of Physics Theories and Applications (article, 2023-03-27)
Field: Materials Science — Materials Chemistry

Fabrication of p-type (MCCO) thin film using DC magnetron sputtering as a preparator for thermoelectric module Based on existing research, thermoelectric efficiency can be improved through material selection. In this study, the material used is CaCO₃ doped with Mn and Co₂O₃ to form CaCo3.5Mn0.5O9 material as a p-type thermoelectric material. The substrate used is glass. The stages in this research are material synthesis, sputtering process using DC Magnetron Sputtering machine to form thin films, and testing. The synthesis process includes grinding, calcination, and sintering. Grinding is done using a Ball Mill machine with a rotation speed of 250 rpm for 5 hours. Furthermore, the calcination step was carried out by heating the sample into a furnace at a temperature of 800°C for 10 hours. Then the sintering process was carried out at a temperature of 850°C for 12 hours. After the synthesis process is complete, enter the sputtering process using a DC Magnetron Sputtering machine for approximately 10 minutes. The gas used in this research is Argon (Ar). After the sputtering process was carried out, several tests appeared, such as the XRD test to determine the type of crystal, the ZEM-3 test to determine the Seebeck coefficient and resistivity, the thickness of the thin film formed, and the power factor test to determine the maximum voltage and power generated by the module formed. Several power factor test results were obtained, consisting of 107 μW/mK² at 100°C, 108 μW/mK² at 200°C, and 332 μW/mK² at 300°C and a thickness of 90.34 nm. Materials science ; Sputtering ; Thermoelectric effect ; Sputter deposition ; Sintering ; Seebeck coefficient ; Thin film ; Cavity magnetron ; Thermoelectric materials ; Ball mill ; Metallurgy ; Composite material ; Thermal conductivity ; Nanotechnology Advanced Thermoelectric Materials and Devices ; Engineering and Technology Innovations ; Educational Methods and Impacts
Authors: Jinxue Ding | Chuanmu Tian | Wei Li | Jonas Spielmann | Clément Maheu | Nina Kintop | Marc Widenmeyer | Konstantin Skokov | Jan P. Hofmann | Ulrike I. Kramm | Wenjie Xie | Anke Weidenkaff
Source: Journal of the European Ceramic Society (article, 2023-12-15)
Field: Materials Science — Materials Chemistry

Tuning anisotropic thermoelectric properties of TiS2– compounds via intercalating iron Materials science ; Spark plasma sintering ; Intercalation (chemistry) ; Anisotropy ; Thermoelectric effect ; Figure of merit ; Condensed matter physics ; Thermal conductivity ; Sintering ; Analytical Chemistry (journal) ; Optoelectronics ; Inorganic chemistry ; Metallurgy ; Composite material ; Thermodynamics ; Chemistry ; Optics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; 2D Materials and Applications
Authors: Cheng‐Gong Han
Source: Materials Lab (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Perspective and advances on ionic thermoelectric energy conversion Ionic thermoelectric energy conversion uses ions as carriers to convert heat into electricity. The high temperature-induced voltage of several millivolts per degree Kelvin has attracted more attention to the application of self-powered sensors in IoTs. In this perspective, the thermogalvanic and thermodiffusion effects are illustrated, together with the research advances on ionic thermoelectric gels. However, the status in recent 3 years is high temperature-induced voltage but low output power. The authors propose that the synergy of two effects and electrode design are believed to be effective ways to improve ionic thermoelectric properties. Thermoelectric effect ; Ionic bonding ; Electricity ; Thermoelectric generator ; Voltage ; Materials science ; Thermoelectric materials ; Engineering physics ; Ion ; Perspective (graphical) ; Energy transformation ; Seebeck coefficient ; Electric potential energy ; Nanotechnology ; Power (physics) ; Optoelectronics ; Electrical engineering ; Computer science ; Chemistry ; Thermodynamics ; Physics ; Engineering Advanced Thermoelectric Materials and Devices ; Gas Sensing Nanomaterials and Sensors ; Advanced Chemical Sensor Technologies
Authors: Qaisar Anjam | Nadeem Nasir | Salman Cheema | Zaighum Tanveer | Muhammad Imran | Nasir Amin
Source: PLoS ONE (article, 2023-02-09)
Field: Materials Science — Materials Chemistry

Molecular dynamic studies into the comparative optimization of thermo-mechanical characters of nano-composites of Ag and Cu reinforced by Graphene This article fundamentally aims at the comparative study of thermo-mechanical characters of Gr/Ag and Gr/Cu nano-composites. For demonstration purposes, three dimensions that is, (1 0 0), (1 1 0) and (1 1 1), of the metals attached with single layer Graphene sheet are considered. The study is facilitated by the adaptation of the molecular dynamic simulations of the soft LAMMPS to mimic the broad range of experimental environment. The attributes of each structure and their orientations are elaborated over wide range of experimental states, encompassing temperature ranging from 300 K to 1500 K, to assess the melting behavior. The thermal and structural properties are explored by employing mean square displacement (MSD) and radial distribution function (RDF). Furthermore, the mechanical characters are elaborated along both arm-chair and zigzag directions. The findings are supported by producing relevant graphical displays of stress-strain curves and generating extravagant depictions of various dislocations with the application of visual molecular dynamics (VMD) tool. On the basis of intense and careful computational investigations, we witnessed that the Gr/Cu (1 1 1) orientation produced most profound melting characteristics along with distinctive strengthening and fracture mechanism. These outcomes are consistent in comparison of both Gr/Metals layered structures and also with respect to all considered metallic orientations. The findings are discussed thoroughly in a well-structured and synchronized fashion throughout the article. Graphene ; Materials science ; Molecular dynamics ; Composite material ; Zigzag ; Displacement (psychology) ; Nano- ; Nanotechnology ; Geometry ; Chemistry ; Computational chemistry ; Mathematics Graphene research and applications ; Microstructure and mechanical properties ; Aluminum Alloys Composites Properties