jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuexin Huang | Suihuai Yu | Jianjie Chu | Zhaojing Su | Yaokang Zhu | Hanyu Wang | Meng‐Cheng Wang | Hao Fan
Source: Journal of Intelligent & Fuzzy Systems (article, 2022-12-30)
Field: Materials Science — Materials Chemistry

Design knowledge graph-aided conceptual product design approach based on joint entity and relation extraction Design knowledge is critical to creating ideas in the conceptual design stage of product development for innovation. Fragmentary design data, massive multidisciplinary knowledge call for the development of a novel knowledge acquisition approach for conceptual product design. This study proposes a Design Knowledge Graph-aided (DKG-aided) conceptual product design approach for knowledge acquisition and design process improvement. The DKG framework uses a deep-learning algorithm to discover design-related knowledge from massive fragmentary data and constructs a knowledge graph for conceptual product design. The joint entity and relation extraction model is proposed to automatically extract design knowledge from massive unstructured data. The feasibility and high accuracy of the proposed design knowledge extraction model were demonstrated with experimental comparisons and the validation of the DKG in the case study of conceptual product design inspired by massive real data of porcelain. Computer science ; Conceptual design ; Knowledge acquisition ; Product design ; Design knowledge ; Knowledge extraction ; Graph ; Knowledge graph ; New product development ; Conceptual model ; Knowledge management ; Product (mathematics) ; Artificial intelligence ; Human–computer interaction ; Theoretical computer science ; Database ; Mathematics Machine Learning in Materials Science ; Product Development and Customization ; Semantic Web and Ontologies
Authors: Khanh Dang | C.N. Tomé | Laurent Capolungo
Source: Acta Materialia (article, 2022-11-22)
Field: Materials Science — Materials Chemistry

The role of deviatoric stress and dislocations on the α to ω phase transformation in Ti Materials science ; Micromechanics ; Dislocation ; Plasticity ; Isotropy ; Stress field ; Stress (linguistics) ; Nucleation ; Condensed matter physics ; Phase (matter) ; Stress relaxation ; Molecular dynamics ; Mechanics ; Thermodynamics ; Creep ; Physics ; Composite material Titanium Alloys Microstructure and Properties ; Microstructure and mechanical properties ; Intermetallics and Advanced Alloy Properties
Authors: Martin Lahn Henriksen | Pernille Klarskov Pedersen | Pernille Klarskov | Mogens Hinge
Source: Chemometrics and Intelligent Laboratory Systems (article, 2022-06-23)
Field: Chemistry — Analytical Chemistry

One step calibration of industrial hyperspectral cameras Hyperspectral imaging is gaining interest as an inline reflective analytical technique. The raw data is often applied for classification or process adjustments. Proper calibration can eliminate the background, noise, and artefacts. Further, it enables determination of area fractions and, via spectral information, chemical analysis. This paper demonstrates a simple, robust, and easy-to-operate calibration device for inline calibration of hyperspectral cameras in the range from 450 ​nm to 1840 ​nm. The design is flexible, made from easy sourced materials, and can be adapted to most industrial setups. Calibration of intensity, spatial and spectral information is combined in one device and is done in a single pass. Device alignment and subsequent image analysis provides a fast and easy calibration routine for hyperspectral cameras. Hyperspectral imaging ; Calibration ; Computer science ; Remote sensing ; Artificial intelligence ; Noise (video) ; Computer vision ; Process (computing) ; Chemical imaging ; Image (mathematics) ; Mathematics ; Geology Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote-Sensing Image Classification
Authors: Alessandro Benelli | Chiara Cevoli | Angelo Fabbri | Luigi Ragni
Source: Journal of Agricultural Engineering (article, 2022-06-28)
Field: Chemistry — Analytical Chemistry

Hyperspectral imaging to measure apricot attributes during storage The fruit industry needs rapid and non-destructive techniques to evaluate the quality of the products in the field and during the post-harvest phase. The soluble solids content (SSC), in terms of °Brix, and the flesh firmness (FF) are typical parameters used to measure fruit quality and maturity state. Hyperspectral imaging (HSI) is a powerful technique that combines image analysis and infrared spectroscopy. This study aimed to evaluate the potential of the application of the Vis/NIR push-broom hyperspectral imaging (400 to 1000 nm) to predict the firmness and the °Brix in apricots (180 samples) during storage (11 days). Partial least squares (PLS) and artificial neural networks (ANN) were used to develop predictive models. For the PLS, R2 values (test set) up to 0.85 (RMSEP=1.64 N) and 0.72 (RMSEP=0.51 °Brix) were obtained for the FF and SSC, respectively. Concerning the ANN, the best results in the test set were achieved for the FF (R2=0.85, RMSEP=1.50 N). The study showed the potential of the HSI technique as a non-destructive tool for measuring apricot quality even along the whole supply chain. Hyperspectral imaging ; Partial least squares regression ; Flesh ; Mathematics ; Brix ; Artificial intelligence ; Test set ; Pattern recognition (psychology) ; Food science ; Computer science ; Statistics ; Biology Spectroscopy and Chemometric Analyses ; Date Palm Research Studies ; Phytochemicals and Antioxidant Activities
Authors: N V Pakhnutova | E. N. Boyangin | О. А. Шкода | С. А. Зелепугин
Source: Advanced Engineering Research (Rostov-on-Don) (article, 2022-10-12)
Field: Materials Science — Materials Chemistry

Microhardness and Dynamic Yield Strength of Copper Samples upon Impact on a Rigid Wall Introduction. One of the commonly used methods for assessing the dynamic characteristics of a material is the Taylor test, which establishes the relationship between the dynamic yield strength of a cylindrical sample material and its length after hitting a non-deformable barrier. The purpose of this work was to study the microhardness and determine the dynamic yield strength of copper samples for various impact velocities in the Taylor test. Materials and Methods. Experiments were carried out with cylindrical copper (M1) samples. The throwing conditions were selected on the ballistic stand, which provided the speed of the sample in the range of 150–450 m/s at the exit from the barrel. After the impact, the microhardness of the samples in the section plane was measured. The calculation of the dynamic yield strength was carried out according to the classical Taylor formula. Results. Experimental data are presented for cylindrical copper samples upon impact on a rigid wall with velocities in the range of 162–416 m/s, including configurations and sizes of images before and after impact. Microhardness distributions in the axial section of the samples were obtained. For each sample, the dependences of the averaged values of microhardness were constructed, which made it possible to identify four areas of deformation of the samples (the area of elastic deformations, plastic deformations, intense plastic deformations, the area of the material undergoing destruction) and determine their sizes. The dynamic yield strength of copper in the studied range of impact velocities was calculated. Discussion and Conclusions. The values of microhardness in the entire considered region and for all studied impact velocities exceeded the initial value. There was a significant increase in the value of the dynamic yield strength compared to its static value. The correlation of the maximum averaged values of microhardness and dynamic yield strength, which grew with increasing impact velocity, was identified. Indentation hardness ; Yield (engineering) ; Materials science ; Copper ; Composite material ; Deformation (meteorology) ; Range (aeronautics) ; Metallurgy ; Microstructure High-Velocity Impact and Material Behavior ; Surface Treatment and Residual Stress ; Energetic Materials and Combustion
Authors: Te Ma | Laurence R. Schimleck | Joseph Dahlen | Seung-Chul Yoon | Tetsuya Inagaki | Satoru Tsuchikawa | Anna Sandak | Jakub Sandak
Source: Foundations (article, 2022-06-22)
Field: Chemistry — Analytical Chemistry

Comparative Performance of NIR-Hyperspectral Imaging Systems Near-infrared spectroscopy (NIRS) allows for the rapid estimation of a wide range of wood properties. Typically, NIRS studies on wood have utilized benchtop spectrometers, but efforts to utilize NIR hyperspectral imaging to examine wood and wood products have increased. Compared to benchtop NIR systems, hyperspectral imaging has several advantages (speed, visualization of spatial variability), but the data typically have a lower signal-to-noise ratio as well as fewer wavelengths saved; thus, hyperspectral imaging systems have a larger spectral sampling interval (SSI). Furthermore, the SSI and wavelength range varies considerably among different HSI cameras. NIR-HSI systems based on indium gallium arsenide (InGaAs) detectors have a wavelength range typically from 900 to 1700 nm, while short-wave infrared hyperspectral imaging (SWIR-HSI) systems based on mercury cadmium telluride (MCT) detectors have the ‘full’ NIR wavelength range from 1000 to 2500 nm. These factors may influence the performance of wood property calibrations. We compared one NIR-HSI (900–1700 nm) and three SWIR-HSI (1000–2500 nm) commercially available cameras with an NIRS benchtop spectrometer (1100–2500 nm). The performance of specific gravity (SG) and stiffness (MOE) calibration models was compared with one-hundred Douglas-fir (Pseudotsuga menziesii) samples. The limited wavelength range of an NIR-HSI camera provided the best models for MOE, whereas the NIR-HSI and two SWIR-HSI cameras provided similar SG results. SWIR-HSI models heavily favored wavelengths greater than 1900 nm. Hyperspectral imaging ; Near-infrared spectroscopy ; Spectrometer ; Remote sensing ; Wavelength ; Materials science ; Imaging spectrometer ; Spectroradiometer ; Detector ; Calibration ; Chemical imaging ; Optics ; Environmental science ; Optoelectronics ; Geology ; Physics ; Reflectivity Spectroscopy and Chemometric Analyses ; Wood Treatment and Properties ; Wood and Agarwood Research
Authors: Ahmed I. Foudah | Faiyaz Shakeel | Mohammed H. Alqarni | Tariq M. Aljarba | Sultan Alshehri | Prawez Alam
Source: Separations (article, 2022-10-09)
Field: Chemistry — Analytical Chemistry

Simultaneous Detection of Chlorzoxazone and Paracetamol Using a Greener Reverse-Phase HPTLC-UV Method In the literature, greener/eco-friendly analytical techniques for simultaneous estimation of chlorzoxazone (CZN) and paracetamol (PCT) are scarce. As a consequence, greener reverse-phase high-performance thin-layer chromatography with ultraviolet (HPTLC-UV) detection was developed and validated for simultaneous estimation of CZN and PCT in commercial capsules and tablets. The greenness of the proposed HPTLC-UV technique was assessed quantitatively by utilizing the “Analytical GREENness (AGREE)” methodology. For simultaneous estimation of CZN and PCT, the greener HPTLC-UV technique was linear in the 40–1600 ng band−1 and 30–1600 ng band−1 ranges, respectively. Furthermore, the suggested HPTLC-UV methodology proved sensitive, accurate, precise, and robust for simultaneous detection of CZN and PCT. The assay of CZN in marketed capsules and tablets was found to be 99.01 ± 1.53 and 100.87 ± 1.61%, respectively, using the suggested HPTLC-UV method. The assay of PCT in commercial capsules and tablets was found to be 98.31 ± 1.38 and 101.21 ± 1.67%, respectively. The AGREE index for the greener HPTLC-UV technique was found to be 0.79, suggesting an excellent greenness profile for the proposed HPTLC-UV technique. These results and data suggested the suitability of the greener HPTLC-UV methodology for simultaneous estimation of CZN and PCT in commercial formulations. Chromatography ; Chlorzoxazone ; Chemistry ; Thin-layer chromatography ; Organic chemistry ; CYP2E1 Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Pesticide Residue Analysis and Safety
Authors: Karl Ludger Radke | Lena Marie Wilms | Miriam Frenken | Julia Stabinska | Marek Knet | Benedikt Kamp | Thomas Thiel | Timm J. Filler | Sven Nebelung | Gerald Antoch | Daniel B. Abrar | Hans‐Jörg Wittsack | Anja Müller‐Lutz
Source: International Journal of Molecular Sciences (article, 2022-06-22)
Field: Materials Science — Materials Chemistry

Lorentzian-Corrected Apparent Exchange-Dependent Relaxation (LAREX) Ω-Plot Analysis—An Adaptation for qCEST in a Multi-Pool System: Comprehensive In Silico, In Situ, and In Vivo Studies Based on in silico, in situ, and in vivo studies, this study aims to develop a new method for the quantitative chemical exchange saturation transfer (qCEST) technique considering multi-pool systems. To this end, we extended the state-of-the-art apparent exchange-dependent relaxation (AREX) method with a Lorentzian correction (LAREX). We then validated this new method with in situ and in vivo experiments on human intervertebral discs (IVDs) using the Kendall-Tau correlation coefficient. In the in silico experiments, we observed significant deviations of the AREX method as a function of the underlying exchange rate (kba) and fractional concentration (fb) compared to the ground truth due to the influence of other exchange pools. In comparison to AREX, the LAREX-based Ω-plot approach yielded a substantial improvement. In the subsequent in situ and in vivo experiments on human IVDs, no correlation to the histological reference standard or Pfirrmann classification could be found for the fb (in situ: τ = −0.17 p = 0.51; in vivo: τ = 0.13 p = 0.30) and kba (in situ: τ = 0.042 p = 0.87; in vivo: τ = −0.26 p = 0.04) of Glycosaminoglycan (GAG) with AREX. In contrast, the influence of interfering pools could be corrected by LAREX, and a moderate to strong correlation was observed for the fractional concentration of GAG for both in situ (τ = −0.71 p = 0.005) and in vivo (τ = −0.49 p < 0.001) experiments. The study presented here is the first to introduce a new qCEST method that enables qCEST imaging in systems with multiple proton pools. In silico ; In situ ; In vivo ; Adaptation (eye) ; Plot (graphics) ; Relaxation (psychology) ; Biological system ; Chemistry ; Biology ; Biophysics ; Computational biology ; Computer science ; Mathematics ; Statistics ; Neuroscience ; Biochemistry ; Biotechnology Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Medical Imaging Techniques and Applications
Authors: Nandita Mandal | Deb Kumar Das | Rabi Narayan Sahoo | Sujan Adak | Atul Kumar | Viswanathan Chinnusamy | Joydeep Mukherjee | H. Rajashekara | Rajeev Ranjan | Bappa Das
Source: Journal of Agrometeorology (article, 2022-07-14)
Field: Chemistry — Analytical Chemistry

Assessing rice blast disease severity through hyperspectral remote sensing Remote sensing is being increasingly used in stress management in different agricultural practices. It is useful for real time analysis for crop stress which is not possible for visual observation alone. Rice blast caused by fungus Pyricularia Oryzae is a serious constrain in rice production in India. There is hardly any basic information available for spectral characteristics of rice blast disease for its real-time detection and management. Present study is to characterize spectral reflectance of blast affected rice in order to identify the sensitive spectral range. Disease severity of 10 different genotypes of rice was graded 0 to 9 based on the extent of host organ covered by symptom or lesion. Result shows that severely infected plant (score 9) have higher reflectance at visible region and lower reflectance at NIR region. Change in the reflectance for the infected plant as compare to the healthy plant was more pronounced in the VNIR, 550 to 760 nm and 1140 and 1300 nm having correlation coefficient above 0.6. The study of change in the reflectance with the change in wavelength (1st derivative) revealed that VNIR region have high correlation with the disease severity. Maximum rate of change value at red edge position (REP) is called as red edge value (REV) which has good relation with disease severity levels. Amplitude of the red edge peak decreases with the increase in severity levels. Amplitude of score 0 and 9 was 0.00929 and 0.002301, respectively for upland land condition whereas the amplitude of the score 0 and 9 was 0.010421 and 0.00193, respectively for upland land rice. This study identifies that VNIR and red edge region are sensitive for detecting rice blast, which could be utilized to aerial or satellite based monitoring blast affected rice cropping region. VNIR ; Pyricularia ; Red edge ; Hyperspectral imaging ; Reflectivity ; Remote sensing ; Blast disease ; Plant disease ; Crop ; Environmental science ; Amplitude ; Agronomy ; Biology ; Horticulture ; Biotechnology ; Geology ; Physics ; Optics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote Sensing in Agriculture
Authors: Erin M. Adkins | Joseph T. Hodges
Source: Journal of Quantitative Spectroscopy and Radiative Transfer (article, 2022-01-25)
Field: Chemistry — Spectroscopy

Assessment of the precision, bias and numerical correlation of fitted parameters obtained by multi-spectrum fits of the Hartmann-Tran line profile to simulated absorption spectra Spectral line ; Voigt profile ; Computational physics ; Line (geometry) ; Absorption spectroscopy ; Optics ; Residual ; Accuracy and precision ; Noise (video) ; Physics ; Mathematics ; Statistics ; Computer science ; Algorithm ; Geometry Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Atmospheric chemistry and aerosols
Authors: Rao Dai | Shenglan Yang | Tongdi Zhang | Jing Zhong | Li Chen | Chunming Deng | Lijun Zhang
Source: Frontiers in Materials (article, 2022-06-13)
Field: Materials Science — Materials Chemistry

High-Throughput Screening of Optimal Process Parameters for PVD TiN Coatings With Best Properties Through a Combination of 3-D Quantitative Phase-Field Simulation and Hierarchical Multi-Objective Optimization Strategy Physical vapor deposition (PVD) is one of the most important techniques for coating fabrication. With the traditional trial-and-error approach, it is labor-intensive and challenging to determine the optimal process parameters for PVD coatings with best properties. A combination of three-dimensional (3-D) quantitative phase–field simulation and a hierarchical multi-objective optimization strategy was, therefore, developed to perform high-throughput screening of the optimal process parameters for PVD coatings and successfully applied to technically important TiN coatings. Large amounts of 3-D phase-field simulations of TiN coating growth during the PVD process were first carried out to acquire the parametric relation among the model parameters, microstructures, and various coating properties. Experimental data were then used to validate the numerical simulation results and reveal the correlation between model parameters and process parameters. After that, a hierarchical multi-objective method was proposed for the design of multiple coating properties based on the quantitative phase–field simulations and key experimental data. Marginal utility was subsequently examined based on the identification of the Pareto fronts in terms of various combinations of objectives. The windows for the best TiN coating properties were, therefore, filtered with respect to the model/process parameters in a hierarchical manner. Finally, the consistent optimal design result was found against the experimental results. Coating ; Tin ; Materials science ; Parametric statistics ; Process (computing) ; Throughput ; Physical vapor deposition ; Phase (matter) ; Computer science ; Deposition (geology) ; Nanotechnology ; Mathematics ; Metallurgy Solidification and crystal growth phenomena ; Fluid Dynamics and Thin Films ; Aluminum Alloy Microstructure Properties
Authors: Christian Weymann | S. Cherifi | Céline Lichtensteiger | Iaroslav Gaponenko | Kokou D. Dorkenoo | Aaron B. Naden | Patrycja Paruch
Source: Physical review. B./Physical review. B (article, 2022-12-20)
Field: Materials Science — Materials Chemistry

Non-Ising domain walls in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>c</mml:mi></mml:math>-phase ferroelectric lead titanate thin films Ferroelectrics are technologically important, with wide application in micromechanical systems, nonlinear optics, and information storage. Recent discoveries of exotic polarization textures in these materials, which can strongly influence their properties, have brought to the forefront questions about the nature of their domain walls: long believed to be primarily Ising, with locally null polarization. Here, combining three complementary techniques---second-harmonic generation microscopy, piezoresponse force microscopy, and transmission electron microscopy---to cover all the relevant length scales, we reveal the N\'eel character (non-Ising polarization oriented perpendicular to the wall) of ${180}^{\ensuremath{\circ}}$ domain walls in $c$-phase tetragonal ferroelectric lead titanate epitaxial thin films, for both artificial and intrinsic domains at room temperature. Furthermore, we show that variations in the domain density---detected both optically and via local piezoresponse and then quantified by radial autocorrelation analysis---can give us insight into the underlying defect potential present in these materials. Piezoresponse force microscopy ; Ferroelectricity ; Materials science ; Condensed matter physics ; Tetragonal crystal system ; Ising model ; Domain wall (magnetism) ; Polarization (electrochemistry) ; Thin film ; Phase (matter) ; Physics ; Nanotechnology ; Magnetization ; Dielectric ; Optoelectronics ; Chemistry ; Quantum mechanics ; Magnetic field ; Physical chemistry Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; Electronic and Structural Properties of Oxides