jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: А. Ф. Денисенко | Liubov Podkruglyak
Source: Frontier materials & technologies (article, 2023-01-01)
Field: Materials Science — General Materials Science

Simulation of contact thermal resistance when designing processing equipment Analysis of the processing equipment structures when designing according to the temperature criterion is a necessary guarantee of ensuring the required performance characteristics. The presence of a significant number of parts in the processing equipment units and mechanisms requires, when designing, the prediction of the heat flow passage through the joints. When simulating contact thermal resistance, the variety of requirements for a joint can be taken into account by introducing a pseudolayer into the contact zone. The paper presents test results of the proposed regression dependence of the temperature change when the heat flow goes through the pseudolayer obtained considering four significant factors: the pseudolayer thickness, the nominal pressure, the material yield strength, and the actual contact zone location. The adequacy of the specified regression dependence was verified experimentally and applying numerical simulation using large-block finite elements. To describe the process of heat transfer in the thermal model elements, the authors determined contact thermal resistances for several conditions for the heat flow propagation: from one finite element to another within one part; from one finite element to another located in an adjacent part; heat flow passing through closed cavities; heat flow propagation into the environment for finite elements located on the outer (free) contour of the part. The experiments showed a good agreement between the experimental data and the simulation results. The application of large-block finite elements based on the proposed contact thermal resistance model allowed bringing the FE simulation technique to engineering use without complex software. Finite element method ; Thermal contact ; Thermal ; Heat transfer ; Block (permutation group theory) ; Mechanical engineering ; Flow (mathematics) ; Thermal resistance ; Thermal contact conductance ; Contact resistance ; Joint (building) ; Software ; Process (computing) ; Computer simulation ; Mechanics ; Engineering ; Computer science ; Structural engineering ; Materials science ; Simulation ; Mathematics ; Composite material ; Geometry ; Physics ; Thermodynamics Material Properties and Applications ; Engineering Technology and Methodologies ; Structural mechanics and materials
Authors: Malika Perluzzi | William Wilson | Ryan Gosselin
Source: Processes (article, 2023-05-18)
Field: Chemistry — Analytical Chemistry

Impact of Data Grouping on the Multivariate Analysis of Several Concrete Plants Multivariate analysis can be used to study industrial process data exhibiting collinearity between variables. Such data can often be collected into conceptually meaningful groups or blocks. While data blocks may appear intuitive (e.g., raw material properties vs. process parameters), such blocking is sometimes much more subjective. The novelty of this work lies in the investigation of the impact of data blocking on the subsequent analysis. To our knowledge, no such investigation can be found in the literature. To fill this gap, we analyze the impact of grouping data from 10 Canadian concrete plants in which multiple blocking alternatives are considered. The analysis is performed via principal component analysis (PCA) to reduce the dimensionality of the matrix and also via consensus principal component analysis (CPCA). The data grouping options are as follows: (1) all data combined into a single block, (2) grouped according to the factory, (3) grouped according to parameter type, and (4) grouped according to parameter type within each factory. The results show that the grouping strategy alters the conclusion by emphasizing specific aspects of the data. While some grouping options emphasized seasonal variations, others emphasized other characteristics in the data, such as step changes in processing regimes or the significant impact of the raw materials’ moisture on the process. As such, it appears relevant to consider multiple blocking options when analyzing complex datasets. Doing so will give the analyst a better understanding of overarching trends and more subtle characteristics of the dataset. Principal component analysis ; Collinearity ; Raw data ; Multivariate statistics ; Computer science ; Blocking (statistics) ; Data mining ; Block (permutation group theory) ; Novelty ; Multivariate analysis ; Process (computing) ; Data analysis ; Factory (object-oriented programming) ; Dimension (graph theory) ; Curse of dimensionality ; Statistics ; Mathematics ; Artificial intelligence ; Machine learning Spectroscopy and Chemometric Analyses ; Mineral Processing and Grinding ; Advanced Statistical Process Monitoring
Authors: Martin Hammerschmidt | Lin Zschiedrich | Lauryna Šiaudinytė | Phillip Manley | Philipp‐Immanuel Schneider | Sven Burger
Source:  (preprint, 2023-08-23)
Field: Materials Science — Surfaces, Coatings and Films

Forward simulation of coherent beams on grating structures for coherent scatterometry Modelling the scattering of focused, coherent light by nano-scale structures is oftentimes used to reconstruct or infer geometrical or material properties of structures under investigation in optical scatterometry. This comprises both periodic and aperiodic nano-structures. Coherent Fourier scatterometry with focused light exploits the diffraction pattern formed by the nano-structures in Fourier plane. While the scattering of a focused beam by a spatially isolated scatterer is a standard modelling task for state-of-the art electromagnetic solvers based, e.g., on the finite element method, the case of periodically structured samples is more involved. In particular when the focused light covers several grating periods of as it is commonly the case. We will present a coherent illumination model for scattering of focused beams such as Gaussian- and Besselbeams by periodic structures such as line gratings. The model allows to take into account optical wavefront aberrations in optical systems used for both, the illumination and detection of the scattered fields. We compare the model with strategies implemented on large-scale super-cells and inverse Floquet-transform strategies to superimpose both near- and far fields coherently. Optics ; Wavefront ; Fourier transform ; Grating ; Physics ; Scattering ; Diffraction ; Aperiodic graph ; Floquet theory ; Diffraction grating ; Light scattering ; Superposition principle ; Fourier optics ; Photonics ; Spatial light modulator ; Mathematics Optical Coatings and Gratings ; Near-Field Optical Microscopy ; Photonic Crystals and Applications
Authors: Alan B. Moran | Elena Domínguez‐Vega | Manfred Wuhrer | Guinevere S. M. Lageveen‐Kammeijer
Source: Journal of Proteome Research (article, 2023-03-01)
Field: Chemistry — Spectroscopy

Software-Assisted Data Processing Workflow for Intact Glycoprotein Mass Spectrometry Intact protein analysis by mass spectrometry is important for several applications such as assessing post-translational modifications and biotransformation. In particular, intact protein analysis allows the detection of proteoforms that are commonly missed by other approaches such as proteolytic digestion followed by bottom-up analysis. Two quantification methods are mainly used for intact protein data quantification, namely the extracted ion and deconvolution approaches. However, a consensus with regard to a single best practice for intact protein data processing is lacking. Furthermore, many data processing tools are not fit-for-purpose and, as a result, the analysis of intact proteins is laborious and lacks the throughput required to be implemented for the analysis of clinical cohorts. Therefore, in this study, we investigated the application of a software-assisted data analysis and processing workflow in order to streamline intact protein integration, annotation, and quantification via deconvolution. In addition, the assessment of orthogonal data sets generated via middle-up and bottom-up analysis enabled the cross-validation of cleavage proteoform assignments present in seminal prostate-specific antigen (PSA). Furthermore, deconvolution quantification of PSA from patients' urine revealed results that were comparable with manually performed quantification based on extracted ion electropherograms. Overall, the presented workflow allows fast and efficient processing of intact protein data. The raw data is available on MassIVE using the identifier MSV000086699. Workflow ; Computer science ; Deconvolution ; Mass spectrometry ; Data mining ; Computational biology ; Chemistry ; Chromatography ; Database ; Biology ; Algorithm Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Ruzan Sokhoyan | Claudio U. Hail | Morgan Foley | Meir Y. Grajower | Harry A. Atwater
Source: arXiv (Cornell University) (preprint, 2023-09-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All-dielectric high-Q dynamically tunable transmissive metasurfaces Active metasurfaces, which are arrays of actively tunable resonant elements, can dynamically control the wavefront of the scattered light at a subwavelength scale. To date, most active metasurfaces that enable dynamic wavefront shaping operate in reflection. On the other hand, active metasurfaces operating in transmission are of considerable interest as they can readily be integrated with chip-scale light sources, yielding ultra-compact wavefront shaping devices. Here, we report designs for all-dielectric low-loss active metasurfaces which can dynamically manipulate the transmitted light wavefront in the near-infrared wavelength range. Our active metasurfaces feature an array of amorphous silicon (a-Si) pillars on a silica substate, which support resonances with quality factors (Q-factors) as high as 9800, as well as other lower-Q resonances. First, we demonstrate that high-Q resonance dips observed in transmission can be transformed into a transmission resonance peak by positioning a-Si pillar resonators at a prescribed distance from a crystalline Si substrate, defined by a silica spacer layer. Next, we report the design of metasurface geometry with realistic interconnect architectures that enable thermo-optic dynamic beam switching with switching times as low as 7.3 μs. Beam switching is observed for refractive index differences between neighboring metasurface elements as low as 0.0026. Finally, we demonstrate that metasurface structures with both high-Q and lower-Q modes and realistic interconnect architectures can be used for dynamic beam steering. Wavefront ; Resonator ; Optics ; Beam steering ; Optoelectronics ; Materials science ; Dielectric ; Transmission (telecommunications) ; Reflection (computer programming) ; Beam (structure) ; Resonance (particle physics) ; Substrate (aquarium) ; Physics ; Computer science ; Telecommunications Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Brittany Austin | Ali Firooz | Homayoun Valafar | Anna V. Blenda
Source: Preprints.org (preprint, 2023-07-04)
Field: Chemistry — Spectroscopy

An Updated Overview of Existing Cancer Databases and Identified Needs Our search of existing cancer databases aimed to assess the current landscape and identify key needs. We analyzed 71 databases, focusing on genomics, proteomics, lipidomics, and glycomics. We found a lack of cancer-related lipidomic and glycomic databases, indicating a need for further development in these areas. Proteomic databases dedicated to cancer research were also limited. To assess overall progress, we included human non-cancer databases in proteomics, lip-idomics, and glycomics for comparison. This provided insights into advancements in these fields over the past eight years. We also analyzed other types of cancer databases, such as clinical trial databases and web servers. Evaluating user-friendliness, we used the FAIRness principle to assess findability, accessibility, interoperability, and reusability. This ensured databases were easily accessible and usable. Our search summary highlights significant growth in cancer databases while identifying gaps and needs. These insights are valuable for researchers, clinicians, and database developers, guiding efforts to enhance accessibility, integration, and usability. Addressing these needs will support advancements in cancer research and benefit the wider cancer community. Interoperability ; Computer science ; Database ; Data science ; Usability ; World Wide Web Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Genetics, Bioinformatics, and Biomedical Research
Authors: Keyu Li | Tao Jiang | Yang Li | Xuemin Wang | Zhiqiang Zhan | Fengwei Chen | Zheng‐Fu Han | Weidong Wu
Source: Entropy (article, 2023-09-25)
Field: Chemistry — Spectroscopy

Target Acquisition for Collimation System of Wireless Quantum Communication Networks in Low Visibility In severe low-visibility environments full of smoke, because of the performance degeneration of the near-infrared (NIR) collimation system of quantum drones communication networks, the improved dual-threshold method based on trend line analysis for long-wave infrared (LWIR) quantum cascade lasers (QCLs) is proposed, to achieve target acquisition. The simulation results show that smoke-scattering noise is a steeply varying medium-high-frequency modulation. At particle sizes less than 4 μm, the traditional dual-threshold method can effectively distinguish the target information from the smoke noise, which is the advantage of the LWIR laser compared to the NIR laser. For detecting lasers with high signal-to-noise ratios (SNRs), the method can achieve good target acquisition, by setting reasonable conventional thresholds, such as 0.7 times the peak intensity and 0.8 times the peak rising velocity. At low SNRs and steep intensity variation, the method can also achieve good target acquisition, by adaptively resetting new thresholds after filtering the detecting laser, such as 0.6 times the peak intensity and 0.6 times the peak rising velocity. The results of this paper will provide a reference for the performance improvement and refinement of the collimation system for wireless quantum communication networks in low visibility. Visibility ; Collimated light ; Laser ; Noise (video) ; Optics ; Computer science ; Wireless ; Physics ; Cascade ; Telecommunications ; Artificial intelligence ; Engineering Spectroscopy and Laser Applications ; Quantum Information and Cryptography ; Advanced Optical Sensing Technologies
Authors: Longguo Wu | Qiufei Jiang | Yao Zhang | Songlei Wang
Source: Bangladesh Journal of Botany (article, 2023-01-18)
Field: Chemistry — Analytical Chemistry

Nontradional Detection of Soil Moisture Content Based On Hyperspectral Imaging Technique In the study, Vis-NIR hyperspectral imaging technique was investigated for non-destructive determination of soil moisture content. A total of 208 spectral information of soil samples by hyperspectral imaging system were collected. The differences between soil's moisture content and spectral changes were compared. Different methods of spectral data preprocessing methods, characteristic wavelengths extraction, and building models had influences on the performance of model established. Results from this investigation demonstrated that the reflectivity of soil spectrum were declining with the increase of soil moisture content. Once soil moisture content reached the limit of the field water holding capacity, the reflectivity of soil spectrum were increasing with the increase of soil moisture content. The methods of different pretreatment were analyzed, and the pretreatment method of normalization of unit vector was proposed. The number of characteristic wavelengths extracted by the method of uninformative variable eliminate (UVE), competitive adaptive reweighted sampling (CARS), beta coefficient (β), successive projections algorithm (SPA) were 49, 30, 5, 7, respectively. In order to reduce data redundancy, characteristic wavelengths extracted by the method of UVE and CARS were further extracted by SPA method. The number of characteristic wavelengths extracted by the method of UVE + SPA and CARS + SPA were 5, 8, respectively. The MLR model built based on the characteristic wavelengths extracted by the β coefficient was chosen as the best model, which of the optimal characteristic wavelengths were 411, 440, 622, 713, 790 nm, respectively. The correlation coefficient (Rp) and the root mean square error (RMSEP) for prediction set were 0.979 and 0.763, respectively. Therefore, it is feasible to predict soil moisture content using hyperspectral imaging technique. Bangladesh J. Bot. 51(4): 1039-1049, 2022 (December) Special Hyperspectral imaging ; Water content ; Soil science ; Correlation coefficient ; Sampling (signal processing) ; Wavelength ; Mean squared error ; Coefficient of determination ; Variable elimination ; Remote sensing ; Environmental science ; Mathematics ; Computer science ; Statistics ; Optics ; Artificial intelligence ; Physics Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Remote-Sensing Image Classification
Authors: Mrinal K. Bera | Qingteng Zhang | Xiaobing Zuo | Wei Bu | Joe Strzalka | Steven Weigand | Ján Ilavský | Eric M. Đufresne | Suresh Narayanan | Byeongdu Lee
Source: Synchrotron Radiation News (article, 2023-03-04)
Field: Materials Science — Materials Chemistry

Opportunities of Soft Materials Research at Advanced Photon Source The storage ring of the Advanced Photon Source (APS) will be upgraded to a fourth-generation ring after more than two decades of operation. During its operation as a 7 GeV ring, scattering beamlines have been built to support soft matter research programs to take advantage of the high flux and high energy beam provided by the ring. Further, the 6 GeV multi-bend achromat storage ring installed by the APS-Upgrade (APS-U) will provide new opportunities for the scattering beamlines. In this news, activities of those APS beamlines in conjunction with the APS-U will be briefly reviewed along with some recent technical highlights of their soft matter research programs. Advanced Photon Source ; National laboratory ; Library science ; Engineering ; Engineering physics ; Particle accelerator ; Computer science ; Civil engineering Electronic and Structural Properties of Oxides ; Electron and X-Ray Spectroscopy Techniques ; Quantum Dots Synthesis And Properties
Authors: Sergio Tatay | Sonia Martínez‐Giménez | Ana Rubio‐Gaspar | Javier Castells‐Gil | Zhuoya Dong | Álvaro Mayoral | Neyvis Almora‐Barrios | Natalia M. Padial | Carlos Martí‐Gastaldo
Source: Research Square (preprint, 2023-03-03)
Field: Chemistry — Inorganic Chemistry

Synthetic control of correlated disorder in UiO-66 frameworks Abstract Changing the perception of defects as irregularities or imperfections in crystalline frameworks into correlated domains amenable to chemical control and targeted design might offer unprecedented opportunities for the design of porous materials with superior performance or distinctive behavior in catalysis, separation, storage, or guest recognition. From a chemical standpoint though, the establishment of synthetic routes adapted to the systematic control of chemical composition for guiding the generation and growth of correlated disorder is arguably crucial to consider defect engineering a practicable route towards adjusting framework function. By using UiO-66 as experimental platform, we integrate systematic experimental design with high-throughput synthetic and characterization routines for efficient exploration of the framework chemical space and analysis of the corresponding defective materials. Periodic disorder arising from controlled generation and growth of missing cluster vacancies can be chemically controlled by the relative concentration of linker and modulator, which has been used to isolate a crystallographically pure “disordered” reo phase for the first time. Cs-corrected Cs-corrected scanning transmission electron microscopy with sub-unit-cell resolution is also used to proof the coexistence of correlated domains of missing linker and cluster vacancies, whose relative sizes are fixed by the linker concentration. The impact of this relative distribution of correlated disorder in the porosity and catalytic activity of the material reveals that, contrarily to the common belief of “the more defects the better”, surpassing a certain defectivity threshold can have a detrimental effect often unaccounted for. Control (management) ; Computer science ; Artificial intelligence Metal-Organic Frameworks: Synthesis and Applications ; Solid-state spectroscopy and crystallography ; Advanced NMR Techniques and Applications
Authors: Hu Li | Raffaello Papadakis
Source: IntechOpen eBooks (review, 2023-10-18)
Field: Materials Science — Materials Chemistry

Fluorescence Imaging Enhanced by Members of the Graphene Family: A Review Graphene is a two-dimensional allotrope of carbon with a range of highly attractive physicochemical properties suitable for a wide variety of applications. In the context of fluorescence imaging graphene and its derivatives have recently started to gain more attention since they could assist in the enhancement of imaging of cells, tissue, or other biologically relevant samples such as cell organoids for example mitochondria as well as in the imaging of cancer cells, tumors, and various pathogens. This chapter attempts to cover the most relevant, recent advances in this growing research field. Some basic information on the physical and (photo)chemical properties of important members of the graphene family is provided. Additionally, novel approaches involving graphene-based materials (GBMs) in cellular and tissue imaging systems are reviewed. Important examples of contemporary applications of GBMs in cancer detection using fluorescence imaging are also presented. The specific role of graphene (or other GBMs) in each case is explained and analyzed. Finally, future perspectives and novel applications of fluorescent imaging techniques involving GBMs are discussed. Graphene ; Context (archaeology) ; Fluorescence ; Nanotechnology ; Fluorescence-lifetime imaging microscopy ; Materials science ; Computer science ; Biology ; Physics Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: Universiti Tun Hussein Onn Malaysia | Najwa Muslim | Latifah Md Ariffin | Mohammad Zulafif Rahim
Source: Progress in Aerospace and Aviation Technology (article, 2023-12-14)
Field: Materials Science — Polymers and Plastics

Application of Bamboo Composite for Unmanned Aerial Vehicle Rod Structure Researchers are exploring the use of natural fibers, such as bamboo fibers, as a replacement for synthetic fibers in composite materials due to environmental concerns and rising costs. Bamboo fibers have several benefits, including low cost, biodegradability, light weight, and good mechanical qualities. This study focused on the mechanical and physical characteristics of bamboo fiber composites for drone structures. Tensile tests were conducted, revealing a relatively low tensile strength ranging from 22026.99 to 5474.92 N/𝑚𝑚3 compared to carbon fibre composites. The tensile strength was influenced by the composition and ratio of bamboo fibre and epoxy. The density of the bamboo fibre composite ranged from 0.9720 to 0.7790 g/c𝑚𝑚3, which is lower than carbon fibre composites. Increasing the bamboo fibre content resulted in a decrease in density. Bamboo ; Ultimate tensile strength ; Composite material ; Materials science ; Composite number ; Fiber ; Specific strength ; Epoxy Natural Fiber Reinforced Composites ; Mechanical Engineering and Vibrations Research ; Structural Analysis and Optimization