jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mariana Pop | Ioana-Monica Sas-Boca | Dan Frunză | Florin Popa | Adriana Neag | E Karadeniz | D Chaouch | S Guessasma | A Sadok | N Arivazhagan | S Singh | S Prakash | G Reddy | T Demir | M beyli | R Yldrm | E Rodriguez | M Flores | A Prez | R Mercado-Solis | R Gonzlez | J Rodriguez | S Valtierra | F Cristea | R Ninacs | S Harag | I Sas-Boca | D Frunz | F Popa | D Ilutiu-Varvara | M Tintelecan | E Ilhan | F Findik | S Aslanlar | M Nouari | A Molinari | P Starke | F Walther | D Eifler | Y Lin | M Chen | J Zhong | A Thakare | S Butee | K Kamble | T Miokovi | V Schulze | O Vhringer | D Lhe | I Nikitin | M Besel | M Pop | D Frunze | A Neag | P Mariana | N Adriana | D Frunza | P Florin | Y Totik | R Sadeler | I Kaymaz | J Zhang | G Quan | L Zhao | T Chen | Y Wang | Y Mao | W Lv | J Zhou | Y Liu | Y Huang | J Deng | G Liu | G Li | Y Zhang | X Ma | D Yang
Source: Engineering Open Access (article, 2023-12-15)
Field: Materials Science — Materials Chemistry

Aspects Regarding the Influence of Hot Deformation on the Mechanical and Structural Properties of 42CrMo4 steel The aim of the paper is to analyze the experimental results of the influence of elevated temperatures and strain rate on the mechanical and structural properties of steel 42CrMo4. The experiments were based on uniaxial tension and compression tests at high temperatures between 700 °C and 1000 °C and strain rates range 0.0018 - 0.1 s-1. The influence of temperature and strain rate on yield stress, strain to fracture, hardness, structural changes, and fracture characteristics were analyzed. Due to the dynamic recrystallization phenomenon present during the hot tensile tests, an increase in the flow stress is observed at the beginning of the deformation, after which it decreases until the fracture. By increasing the deformation temperature from 700 °C to 1000 °C, the tensile stress decreases significantly for all strain rates. The increase in the strain rate leads to the increase in the tensile stress. In compression tests by increasing the strain rate, the true strain is slightly increasing, but this depends on the temperature. The non-uniformity of deformations obtained at different values of the strain rate and temperature were also analyzed. Analysis by scanning electron microscopy showed the ductile behavior of the material. The degree of damage of the material caused by the presence of cavities increases by increasing the deformation temperature. For all the presented deformation conditions, the presence of the fracture through the ductile fracture mechanism was produced by the localized of necking and the coalescence of microvoids. By increasing the deformation temperature and reducing the strain rate, the fracture behavior of 42CrMo4 steel can be improved. Deformation (meteorology) ; Materials science ; Metallurgy ; Forensic engineering ; Composite material ; Engineering High-Velocity Impact and Material Behavior ; Metallurgy and Material Forming ; Metal Alloys Wear and Properties
Authors: Jagadeesh Kumar Reddy Mutra | Satya Eswari Jujjavarapu | Pushpendra Kumar Patel | Naga Giridhar Sree R
Source: Research Square (preprint, 2023-02-21)
Field: Materials Science — Biomaterials

Parameter Optimization of Plant-based Decellularized Scaffold for Biomedical Applications Using Response Surface Methodology Abstract The banana leaf scaffold is used for response surface optimization because it is a plant-based scaffold; we have various scaffolds to perform this experiment. In this experiment, CCD-RSM has been used as an experimental design to increase the concentration of detergent (SDS), the concentration of CaCl 2 , the size of the banana leaf, rpm, and no. of days. Twenty-one experimental runs were performed, and porosity and swelling ratios were optimized. The optimum conditions for this process were 0.25, 0.05% w/v SDS, and CaCl 2 (50mM, 150mM, 250mM), RPM (120,180,240), size of banana leaf (0.5,2.5cm), and period were used as optimizing parameters and later on, we calculated the optimizing characters like porosity and swelling ratio of the scaffolds thus formed. With the help of all this, we optimized the swelling ratio and porosity. Finally, by using the design expert, we could derive various tables and graphs, like contour and 3D, to better understand the results. Swelling ; Porosity ; Scaffold ; Response surface methodology ; Decellularization ; Materials science ; Chemical engineering ; Composite material ; Biological system ; Biomedical engineering ; Chromatography ; Chemistry ; Engineering ; Biology Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties ; Electrohydrodynamics and Fluid Dynamics
Authors: Ibrahim Buba Garba | Tommaso Morresi | Charles Bouillaguet | Michele Casula | Lorenzo Paulatto
Source: arXiv (Cornell University) (preprint, 2023-05-09)
Field: Materials Science — Materials Chemistry

Reciprocal space temperature-dependent phonons method from ab-initio dynamics We present a robust reciprocal-space implementation of the temperature-dependent effective potential method. Our implementation can scale easily to large cell and long sampling time. It is interoperable with standard ab-initio molecular dynamics and with Langevin dynamics. We prove that both sampling methods can be efficient and accurate if a thermostat is used to control temperature and dynamics parameters are used to optimize the sampling efficiency. By way of example, we apply it to study anharmonic phonon renormalization in weakly and strongly anharmonic materials, reproducing the temperature effect on phonon frequencies, crossing of phase transition, and stabilization of high-temperature phases. Anharmonicity ; Phonon ; Thermostat ; Ab initio ; Renormalization ; Reciprocal lattice ; Statistical physics ; Sampling (signal processing) ; Molecular dynamics ; Physics ; Condensed matter physics ; Quantum mechanics ; Thermodynamics Thermal properties of materials ; Thermal Expansion and Ionic Conductivity ; Quantum, superfluid, helium dynamics
Authors: D Jiang | Huting Wang | Ruoyu Zhang | Rong Hu | Hong Liu
Source: Actuators (article, 2023-11-23)
Field: Materials Science — Polymers and Plastics

Optimized Design of Fixture Mechanism for Cotton Bundle Fiber The linkage mechanism of a cotton bundle fiber strength tester will have an unstable clamping force when clamping fiber bundle samples with uneven thickness, resulting in slippage or damage to the fibers increasing the pectin residue, leading to inaccurate test results and increased maintenance costs. To address this problem, according to the structural principle of the connecting rod-clamping mechanism, through the geometric relationship between the connecting rods to establish a parametric model of the mechanism and the use of the principle of virtual work on the mechanism to solve the force, the proposed new Dynamic Alternative Static Approximate Analysis Method (DASAAM) was based on Adams 2020. The Isight integrated Adams automatic optimization design framework was built. The variance of the change curve of the end force of the mechanism when clamping samples of different thicknesses was used as the evaluation function and the assembly conditions were used as the constraints. The dimensional parameters and angles of the mechanism were optimized using the multi-island genetic algorithm. The simulation results showed that when the thickness of the clamped sample varied in the range of 0–4 mm, the clamping force of the mechanism varied in the range of 8920–8630 N. Finally, the variance of the clamping force measured by the clamping force measurement component was 0.0367. The above results show that the DASAAM provided a new method for solving the static problem of mechanism morphological and position change, and the optimized linkage mechanism had better clamping force stability, which made the strength detection of cotton fiber more accurate, thus improving the quality of textile products. Clamping ; Mechanism (biology) ; Linkage (software) ; Structural engineering ; Fixture ; Bundle ; Slippage ; Engineering ; Mechanical engineering ; Materials science ; Computer science ; Composite material ; Chemistry ; Physics Textile materials and evaluations ; Mechanical Engineering and Vibrations Research ; Structural Analysis and Optimization
Authors: Renan de Melo Correia Lima | Harison da Silva Ventura | Jully Ramos Soares | Melina Gamis da Silva | J.C. Spadotto | Patrícia Soares da Costa Pereira | Elaine Vidal Dias Gomes Líbano | Fernando Cosme Rizzo Assunção
Source: ABM Proceedings (article, 2023-08-01)
Field: Materials Science — Materials Chemistry

EFEITO DA ADIÇÃO DE NB E MO NA MICROESTRUTURA DE AÇOS FERRITICO-BAINÍTICOS LAMINADOS A QUENTE E CARACTERIZADOS POR EBSD PDF | a&ccedil;os Ferriticos-Bainiticos (FB) s&atilde;o uma classe um tanto negligenciada da primeira gera&ccedil;&atilde;o de A&ccedil;os Avan&ccedil;ados de Alta Resist&ecirc;ncia (AHSS). A combina&ccedil;&atilde;o de ferrita e bainita na microestrutura proporciona melhor flangeabilidade e maior capacidade de estiramento de arestas cisalhadas quando comparada a a&ccedil;os como os Dual-phase, ou os a&ccedil;os de alta resist&ecirc;ncia e baixa liga (HSLA), ambos candidatos vi&aacute;veis ​​para aplica&ccedil;&otilde;es similares. Portanto, os a&ccedil;os FB s&atilde;o mais adequados para pe&ccedil;as com requisitos complexos de arestas. Al&eacute;m disso, a produ&ccedil;&atilde;o desses a&ccedil;os utiliza apenas lamina&ccedil;&atilde;o a quente, sem necessidade de trabalho a frio ou tratamentos t&eacute;rmicos posteriores, o que os torna mais baratos do que outras op&ccedil;&otilde;es. Durante um esfor&ccedil;o para produzir um novo FB590 industrial, foram investigados os efeitos da adi&ccedil;&atilde;o de ni&oacute;bio e molibd&ecirc;nio na distribui&ccedil;&atilde;o da microestrutura do a&ccedil;o. A tecnica de Difra&ccedil;&atilde;o de eletrons Retroespalhados (EBSD) foi utilizada para est&aacute; caracteriza&ccedil;&atilde;o microestrutural. A influ&ecirc;ncia da microestrutura nas propriedades mec&acirc;nicas dos a&ccedil;os foi investigada por ensaios de tra&ccedil;&atilde;o. Materials science ; Microstructure ; Metallurgy Metal Alloys Wear and Properties ; Microstructure and Mechanical Properties of Steels ; Metallurgical and Alloy Processes
Authors: Abrukov VS | Konnova KA | Egorov EN | Anufrieva DA | Koltsov NI
Source: Annals of Advances in Chemistry (article, 2023-08-29)
Field: Materials Science — Polymers and Plastics

Neural Network Calculator of Rubber Characteristics with Improved Properties A new technique for the use of Artificial Neural Networks (ANN) for the generalization and visual presentation of the results of experimental studies is proposed. The possibility of using ANN for cases for which their use was previously considered impossible is shown. ANN calculators have been created that summarize the results of experimental studies on the effect of trans-polynorbornene and basalt fiber on the characteristics of a rubber compound based on general-purpose rubbers (isoprene SKI-3, butadiene-methylstyrene SKMS-30ARK and butadiene SKD), which also contained vulcanizing agents (N, N′-dithiodimorpholine, thiuram D), vulcanization accelerators (sulfenamide C, 2-mercapto-benzothiazole), vulcanization activators (zinc white, stearic acid), emollients (industrial oil I-12A, rosin) and antioxidants (acetonanil H, diaphene FP). The rubber mixture was prepared on laboratory rollers LB 320 160/160. Subsequently, the rubber mixture was vulcanized in a P-V-100-3RT-2-PCD press. For the resulting vulcanizates, the physical and mechanical properties and their changes were determined after daily exposure to air and in a standard SZhR-1 hydrocarbon liquid at a temperature of 100 °C. We also studied the change in the mass of vulcanizates after exposure to industrial oil I-20A and water. The dynamic parameters (modulus of elasticity and mechanical loss tangent) of vulcanizates, which characterize their noise and vibration-absorbing properties, were studied on a Metravib VHF 104 dynamic mechanical analyzer. The created ANN calculators allow solving a direct problem - interpolating the dependences of all rubber characteristics on the content of basalt fiber, as well as solving inverse problems - to determine the required content of basalt fiber to create rubber with the required performance properties. The autonomous executable modules of the calculators developed by ANN were made and can be passed to everyone. Vulcanization ; Natural rubber ; Isoprene ; Materials science ; Composite material ; Mooney viscosity ; Polymer Polymer Nanocomposites and Properties ; Asphalt Pavement Performance Evaluation ; Transport Systems and Technology
Authors: Rocío Ochoa-Montiel | Rodrigo Román-Godínez | Erik Zamora | Humberto Sossa | Gerardo Hernández
Source: International Journal of Combinatorial Optimization Problems and Informatics. (article, 2023-03-01)
Field: Chemistry — Analytical Chemistry

Dendritic neural networks in the classification of estrous cycle images In the biological area, the short reproductive cycle in rodents is useful because it allows analyzed electrophysiological properties, behaviors, or drug effects through the changes observed during this period. This cycle is composed of 4 stages in which the classification is determined by vaginal cytology. Although automatic approaches have been used for the classification of these stages, they are computationally expensive and require a great number of images for adequate performance. In this paper, we test different models of dendritic neural networks (DNN) trained by stochastic gradient descent to classify a short number of images and four classical contrast enhancement methods. We extract texture features and use standard and DNN classifiers to recognize the images. From the experiments, it seems that DNNs have a more stable behavior concerning the standard classifiers according to the standard deviation presented, being this a desirable property for a model. We consider that DNN could be an adequate alternative for the classification of estrous cycle images. Estrous cycle ; Artificial neural network ; Artificial intelligence ; Computer science ; Neuroscience ; Pattern recognition (psychology) ; Biology ; Animal science Spectroscopy and Chemometric Analyses
Authors: Aniruddha Baral | Jeffery R. Roesler
Source: Research Square (preprint, 2023-11-08)
Field: Materials Science — Polymers and Plastics

Digital Foam Index Test for Air Entrainment Interactions Air entrainment ; Entrainment (biomusicology) ; Index (typography) ; Test (biology) ; Environmental science ; Computer science ; Materials science ; Composite material ; Geology ; Physics ; Acoustics ; World Wide Web Textile materials and evaluations ; Surface Roughness and Optical Measurements ; Additive Manufacturing and 3D Printing Technologies
Authors: Aman Singh | Jyoti Kumari | N. K. Debnath | Vineet Kumar | Rupesh Chaturvedi | Vinay K. Singh
Source: Research Square (preprint, 2023-07-31)
Field: Materials Science — Ceramics and Composites

Tribology and surface topographical analysis of insitu formed BN and Si3N4 in SiC-Al2O3 Ceramic composites Abstract A multi-phase ceramic composite comprising of a SiC matrix reinforced with Si 3 N 4 and BN was prepared by insitu formation during nitridation of Si metal and B 2 O 3 . Al 2 O 3 was used as a sintering additive as well as to improve oxidation and corrosion resistance. XRD and SEM techniques were effectively utilized to confirm phases and analyze the evolutionary changes in microstructure. Dry wear tests were conducted to evaluate the composite’s wear resistance. It was discovered that the SiC-Si 3 N 4 –BN–Al 2 O 3 composite possessed exceptional properties, such as high hardness, high abrasive wear resistance, and low coefficient of friction. The examination of surface topography using atomic force microscopy indicates that the composites exhibit improved smoothness and enhanced capacity for load bearing. These characteristics make the composite material highly promising for diverse tribological applications. Furthermore, the strengthening and wear mechanisms of this composite were analysed and discussed in this paper. Materials science ; Tribology ; Abrasive ; Composite number ; Ceramic ; Microstructure ; Composite material ; Sintering ; Wear resistance Advanced ceramic materials synthesis ; Metal and Thin Film Mechanics ; Advanced materials and composites
Authors: Ashok Kumar Sahoo | Asst Professor | L Gao | D Hong | J Yao | B Zhang | P Gamba | J Chanussot | K Zheng | W Blackwell | J Satapathy
Source:  (article, 2023-05-08)
Field: Chemistry — Analytical Chemistry

Using a Local Binary Pattern and Random Patch Convolution for A Multi-Kernel Mode using classification of hyper-spectral Image The use of hyper-spectral pictures is expanding rapidly with the advancement of remote sensing technologies. The precise categorization of ground features using hyper-spectral pictures is a crucial research topic that has garnered considerable interest. The classification of hyper-spectral pictures has shown positive classification results using a variety of techniques. The three steps of this technique include pre-processing, feature extraction, and classification for the hyperspectral pictures. Each nondiagonal element in the matrix describes how various spectral bands correlate with one another. These matrices are then supplied to a support vector machine for classification as spatial-spectral characteristics. The suggested technique provides a fresh way to describe the spatial-spectral data in the HSI before categorization.Three publicly accessible hyperspectral data sets were employed in investigations, because the results demonstrate that the suggested method can perform superior than several cutting-edge algorithms, particularly when there are few training examples available. Kernel (algebra) ; Pattern recognition (psychology) ; Image (mathematics) ; Mode (computer interface) ; Convolution (computer science) ; Binary number ; Local binary patterns ; Artificial intelligence ; Mathematics ; Computer science ; Binary image ; Image processing ; Histogram ; Pure mathematics ; Arithmetic Spectroscopy and Chemometric Analyses
Authors: Anna Špačková | Ondřej Vávra | Tomáš Raček | Václav Bazgier | David Sehnal | Jiřı́ Damborský | Radka Svobodová Vařeková | David Bednář | Karel Berka
Source:  (preprint, 2023-10-02)
Field: Chemistry — Spectroscopy

ChannelsDB 2.0: A Comprehensive Database of Protein Tunnels and Pores in AlphaFold Era ChannelsDB 2.0 is an updated database providing structural information about the position, geometry and physicochemical properties of protein channels - tunnels and pores - within deposited biomacromolecular structures from PDB and AlphaFoldDB databases. The newly deposited information originated from several sources. Firstly, we included data calculated using a popular CAVER tool to complement the data obtained using original MOLE tool for detection and analysis of protein tunnels and pores. Secondly, we added tunnels starting from cofactors within the AlphaFill database to enlarge the scope of the database to protein models based on Uniprot. This has enlarged available channel annotations ~4.6 times as of 1st September 2023. The database stores information about geometrical features, e.g., length and radius, and physico-chemical properties based on channel-lining amino acids. The stored data are interlinked with the available UniProt mutation annotation data. ChannelsDB 2.0 provides an excellent resource for deep analysis of the role of biomacromolecular tunnels and pores. The database is available free of charge: https://channelsdb2.biodata.ceitec.cz. UniProt ; Database ; Protein Data Bank (RCSB PDB) ; Protein Data Bank ; Computer science ; Complement (music) ; Data mining ; Chemistry ; Protein structure Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies ; Machine Learning in Bioinformatics
Authors: Raymond Atta‐Fynn | Somilkumar J. Rathi | Harsh Arya | Parthapratim Biswas
Source: arXiv (Cornell University) (preprint, 2023-09-18)
Field: Materials Science — Ceramics and Composites

Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations This paper presents a large-scale $ab$ $initio$ simulation study of amorphous silicon hydride ($a$-Si$_{\text{1-x}}$H$_{\text{x}}$) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by combining accelerated molecular dynamics (MD) simulations with first-principles density-functional calculations. The accelerated MD scheme relied on classical metadynamics, which enabled the development of 2600+ high-quality structural models of $a$-Si$_{\text{1-x}}$H$_{\text{x}}$, with system sizes ranging from 150 to 6,000 atoms and hydrogen concentrations vary from 6 to 20 at. %H. The resulting amorphous networks were found to be completely free from any coordination defects and that they all exhibited a pristine band-gap in their electronic spectrum. The microstructural properties of hydrogen distributions were examined with great emphasis on the presence of isolated and clustered environments of hydrogen atoms. The results were compared with a suite of experimental data obtained from x-ray diffraction, infrared spectroscopy, spectroscopic ellipsometry and nuclear magnetic resonance studies. Hydride ; Amorphous solid ; Amorphous silicon ; Ab initio ; Molecular dynamics ; Hydrogen ; Materials science ; Silicon ; Ab initio quantum chemistry methods ; Infrared spectroscopy ; Metadynamics ; Chemical physics ; Crystallography ; Physical chemistry ; Crystalline silicon ; Computational chemistry ; Chemistry ; Molecule ; Metallurgy Glass properties and applications ; Thin-Film Transistor Technologies ; Silicon Nanostructures and Photoluminescence
Authors: Marion Silvestrini | Riccardo Solazzo | Matteo Masetti | Kevin H. Gardner | Lillian T. Chong
Source: Biophysical Journal (article, 2023-02-01)
Field: Chemistry — Spectroscopy

How does a ligand exit from a buried receptor cavity? Atomistic simulations of unbinding pathways with rigorous kinetics Kinetics ; Dimer ; Ligand (biochemistry) ; Chemistry ; Molecular dynamics ; Biophysics ; Small molecule ; Receptor–ligand kinetics ; Molecule ; Chemical physics ; Receptor ; Computational chemistry ; Physics ; Biology ; Biochemistry Mass Spectrometry Techniques and Applications ; Gene Regulatory Network Analysis ; Protein Structure and Dynamics
Authors: Tomasz Urbańczyk | J. Koperski | Gabriel Kaszewski | Mikołaj Synak | Jakub Swenda | Marek Krośnicki
Source: Scientific Reports (article, 2023-10-13)
Field: Chemistry — Spectroscopy

Genetic algorithm for obtaining potential energy curve of diatomic molecules based on dispersed fluorescence spectra The method for reconstruction of an adiabatic potential energy curve from experimental dispersed fluorescence spectra has been developed. The novelty of the method relies on a unique approach of simultaneous use of [Formula: see text] and [Formula: see text] parts of the spectrum. The method is based on the Genetic Algorithm (GA) procedure and determines potential energy curve integrally, below and above the dissociation energy limit. The method was tested on the artificially generated reference spectrum as well as experimental spectrum of [Formula: see text] transition in Hg[Formula: see text]. The tests show very good accuracy of simulation based on GA results with artificially generated reference spectrum as well as with the experimental one. Diatomic molecule ; Fluorescence ; Energy (signal processing) ; Spectral line ; Molecule ; Algorithm ; Computer science ; Statistical physics ; Physics ; Optics ; Quantum mechanics Analytical Chemistry and Chromatography ; Water Quality Monitoring and Analysis ; Advanced Chemical Sensor Technologies