jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Simon Colanges | Jean-Noël Tourvieille | Pierre Lidon | Jacques Leng
Source: Scientific Reports (article, 2023-03-29)
Field: Materials Science — Surfaces, Coatings and Films

2.5D printing of a yield-stress fluid We report on direct ink writing of a model yield-stress fluid and focus on the printability of the first layer, the one in contact with the supporting substrate. We observe a diversity of deposition morphologies that depends on a limited set of operational parameters, mainly ink flow rate, substrate speed and writing density, and also on material properties (e.g., yield-stress). Among these morphologies, one of them does not depend on fluid properties (as long as the fluid displays some yield-stress) and consists of flat films whose thickness is controllable in a significant range, about [Formula: see text] mm, and tunable in real time during printing. We thus demonstrate the ability to print films with thickness gradients and prove that the printing fidelity is mainly due to a competition between yield-stress and capillarity. Yield (engineering) ; Substrate (aquarium) ; Deposition (geology) ; Materials science ; Stress (linguistics) ; Layer (electronics) ; Volumetric flow rate ; Fluid dynamics ; Composite material ; Flow (mathematics) ; Inkwell ; Nanotechnology ; Mechanics ; Geology ; Physics Surface Modification and Superhydrophobicity ; Advanced Materials and Mechanics ; Nanofabrication and Lithography Techniques
Authors: Jin Ma | Peter Alt‐Epping | Barbara Pastina | Mika Niskanen | Timo Salonen | Paul Wersin
Source: Materials and Corrosion (article, 2023-04-27)
Field: Materials Science — Materials Chemistry

Development of a 2D model for rapid estimation of sulfide corrosion of copper canisters in a spent nuclear fuel repository Abstract Reactive‐transport models (RTMs) have been an integral part of the safety case and design optimization for the nuclear waste repository in Finland. Such highly resolved, internally complex RTMs tend to be computationally demanding, thus their design is often a compromise between representativeness and computational efficiency. A modeling strategy is presented, demonstrating how a 2D simplified model can be constructed based upon and calibrated against a geometrically realistic 3D RTM. Key geometrical parameters of the 2D model are consistent with the 3D model, and the 2D model is verified by a series of benchmarks for various designs and conditions of the repository. Overall, the 2D model is proven suitable for fast scoping calculations, as (1) it reduces the mesh elements by 16 times and shortens the run time by about 40 times; (2) it has much more flexible remeshing possibilities; and (3) it provides highly consistent results with the 3D model. Spent nuclear fuel ; Representativeness heuristic ; Key (lock) ; Radioactive waste ; 3d model ; Computer science ; Software deployment ; Nuclear engineering ; Simulation ; Engineering ; Waste management ; Mathematics ; Artificial intelligence Corrosion Behavior and Inhibition ; Asphalt Pavement Performance Evaluation ; Concrete and Cement Materials Research
Authors: Florian Simke | Paul Fischer | Tomislav Damjanović | Alan Kádek | Thomas Kierspel | Kristina Lorenzen | Charlotte Uetrecht | L. Schweikhard
Source: Journal of Instrumentation (article, 2023-10-01)
Field: Chemistry — Spectroscopy

Commissioning the digital mass-filter/ion-trap module for the MS SPIDOC prototype Abstract The combination of a linear quadrupole ion-filter and linear Paul trap operated with a rectangular guiding field for the filtering and accumulation of ions within the M ass S pectrometry for S ingle P article I maging of D ipole O riented protein C omplexes (MS SPIDOC) prototype [T. Kierspel et al., Anal. Bioanal. Chem. , published online] is characterized. Using cationic caesium-iodide clusters, the ion-separation performance, ion accumulation, cooling, and ejection via in-trap pin electrodes is evaluated. Furthermore, proof-of-principle measurements are performed with 64 kDa multiply-charged non-covalent protein complexes of human hemoglobin and 804 kDa non-covalent complex of GroEL, to demonstrate that the module meets the criteria to handle high-mass ions which are the main objective of the MS SPIDOC project. The setup's performance is found to be in line with previous results from ion-trajectory simulations [F. Simke et al., Int. J. Mass Spectrom. 473 (2022) 116779]. Ion ; Quadrupole ion trap ; Ion trap ; Atomic physics ; Chemistry ; Cationic polymerization ; Analytical Chemistry (journal) ; Materials science ; Physics ; Chromatography Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Microfluidic and Capillary Electrophoresis Applications
Authors: Devang Parmar | Simone Dehm | Naga Anirudh Peyyety | Sandeep Kumar | Ralph Krupke
Source: Advanced Sensor Research (article, 2023-11-20)
Field: Materials Science — Polymers and Plastics

Enhanced Broadband Photodetection with Geometry and Interface Engineered Nanocrystalline Graphite Abstract Photodetection across the near‐infrared (NIR) to short‐wavelength infrared (SWIR) spectrum is important for many applications. This study explores photodetection using nanocrystalline graphite (NCG) in a suspended, narrow constriction configuration for improved performance. Bowtie constrictions are fabricated in both suspended and substrate‐supported NCG devices, allowing for accurate comparison. It shows that the suspended constriction enhances the bolometric photoresponse and sensor detectivity by several orders of magnitude compared to the substrate‐supported counterparts, attributed to reduced thermalization and electric field concentration. The suspended configuration preserves a spectrally flat photoresponse while reducing operating voltage through a tailored NCG layer thickness. Chromatic aberration‐corrected photocurrent spectroscopy is used to measure the photoresponse from 1100 to 1700 nm, and diffraction‐limited hyperspectral photocurrent imaging is conducted to measure the local photocurrent generation across the device. Bolometric and photo‐thermoelectric currents are restricted to the suspended central constriction due to electric field concentration and thermal decoupling and the direction of the photocurrents within the sensor is revealed. The experimental data is complemented by simulations of the light absorption and the electric field distribution. This work indicates the importance of geometry and thermal decoupling for boosting device performance, offering promising prospects for sensitive and low‐power NCG‐based photodetectors in the NIR‐SWIR range. Materials science ; Photodetection ; Photocurrent ; Optoelectronics ; Photodetector ; Photoconductivity ; Electric field ; Optics ; Nanocrystalline material ; Nanotechnology ; Physics Transition Metal Oxide Nanomaterials ; 2D Materials and Applications ; Gas Sensing Nanomaterials and Sensors
Authors: Kaicheng Ma | Jianding Yu | Qin Li | Huan He | Jinqi Ni | Jinghong Fang | Yifei Xiong | Qiang Yuan | Qian Zhang | Tongtong Li
Source: Journal of the American Ceramic Society (article, 2023-11-06)
Field: Materials Science — Ceramics and Composites

High‐refraction index glasses with ultra‐high Young's modulus and high hardness fabricated by containerless processing Abstract High‐refractive index glasses with ultra‐high Young's modulus and superior hardness have significant application in optical lenses. Research indicates that high‐entropy glasses, enriched with high dissociation energy and high‐field strength components, enhance the mechanical properties of glass. In this study, we tailored high‐entropy glasses to achieve superior optical and mechanical attributes by optimizing heavy metal oxide components and adjusting the Al 2 O 3 content. The resultant 10RE 2 O 3 ‐10Gd 2 O 3 ‐32Al 2 O 3 ‐36Ta 2 O 5 ‐12ZrO 2 (RE = La, Tm, Lu) glass demonstrates a refractive index of 2.028, a Young's modulus of 186.2 GPa, and a Vickers hardness of 9.18 GPa. The glass was colorless and widely transparent, in the visible‐to‐infrared region from 312.5 to 6674 nm, and the maximum transmittance reach up to 79.3%. These results indicate that the 10RE 2 O 3 ‐10Gd 2 O 3 ‐32Al 2 O 3 ‐36Ta 2 O 5 ‐12ZrO 2 glass would be useful for camera and detector lenses. Materials science ; Refractive index ; High-refractive-index polymer ; Vickers hardness test ; Composite material ; Modulus ; Elastic modulus ; High entropy alloys ; Transmittance ; Optoelectronics ; Microstructure Glass properties and applications ; Luminescence Properties of Advanced Materials ; High Entropy Alloys Studies
Authors: Weiqi Lian | Zhiwei Sun | Yunrong Lyu | Zhihong Duan
Source: Processes (article, 2023-07-30)
Field: Materials Science — Materials Chemistry

Cause Analysis of Condensed Water Induced Bulging in High-Pressure Steam Tee Joints of a Pyrolyzer High-pressure steam pipes inevitably suffered from the reciprocal interaction of high pressure and temperature during a long-period service, causing deformation and cracking. However, only limited studies about abnormal bulging caused by condensed water have been carried out. To study the relationship between bulging and condensed water, bulging tee joints belonging to high-pressure steam pipes were investigated with a macro visual inspection, chemical composition analysis, and metallographic microscopy. According to the analysis of the bulging samples, pearlite spheroidization was found in the abnormal bulging tee joint. The ANSYS FLUENT modeling indicated that the tube wall of bulging tees was continuously subjected to alternating stress, causing the cyclic transformation of the liquid–gas phase inside the tee joint. The results indicate that the stress produced by a condensed water droplet ranges from 532.8 MPa to 59 MPa, continuously exerting pressure on the tube wall of the tee joint. When combined with the variation in the temperature field, the temperature of the severe bulging tee joint and slight bulging tee joint alternates. Further modeling illustrates that the stress generated by the impact of condensed water droplets on the high-temperature tee joints causes a ratcheting effect, which is identified as the main factor contributing to the bulging of the tee joint. Deterioration of the microstructure is considered a secondary mechanism. Joint (building) ; Materials science ; Cracking ; Microstructure ; Stress (linguistics) ; Composite material ; Tube (container) ; Deformation (meteorology) ; Welding ; Cylinder stress ; Pressure vessel ; Metallurgy ; Structural engineering ; Engineering ; Ultimate tensile strength High-Velocity Impact and Material Behavior ; Material Properties and Failure Mechanisms ; Fatigue and fracture mechanics
Authors: Daan J. Reesink | C.S. Arteaga de Castro | Tijl A. van der Velden | Jeanette van Vooren | Petri Oost | Trudy Jonges | Marnix G. E. H. Lam | Bart de Keizer | Peter-Paul Willemse | Richard P. Meijer | Dennis W. J. Klomp
Source: NMR in Biomedicine (article, 2023-04-24)
Field: Materials Science — Materials Chemistry

Feasibility of clinical studies of chemical exchange saturation transfer magnetic resonance imaging of prostate cancer at 7 T Chemical exchange saturation transfer (CEST) has been explored for differentiation between tumour and benign tissue in prostate cancer (PCa) patients. With ultrahigh field strengths such as 7-T, the increase of spectral resolution and sensitivity could allow for selective detection of amide proton transfer (APT) at 3.5 ppm and a group of compounds that resonate at 2 ppm (i.e., [poly]amines and/or creatine). The potential of 7-T multipool CEST analysis of the prostate and the detection of PCa was studied in patients with proven localised PCa who were scheduled to undergo robot-assisted radical prostatectomy (RARP). Twelve patients were prospectively included (mean age 68.0 years, mean serum prostate-specific antigen 7.8ng/mL). A total of 24 lesions larger than 2 mm were analysed. Used were 7-T T2-weighted (T2W) imaging and 48 spectral CEST points. Patients received 1.5-T/3-T prostate magnetic resonance imaging and galium-68-prostate-specific membrane antigen-positron emission tomography/computerised tomography to determine the location of the single-slice CEST. Based on the histopathological results after RARP, three regions of interest were drawn on the T2W images from a known malignant zone and benign zone in the central and peripheral zones. These areas were transposed to the CEST data, from which the APT and 2-ppm CEST were calculated. The statistical significance of the CEST between the central zone, the peripheral zone, and tumour was calculated using a Kruskal-Wallis test. The z-spectra showed that APT and even a distinct pool that resonated at 2 ppm were detectable. This study showed a difference trend in the APT levels, but no difference in the 2-ppm levels when tested between the central zone, the peripheral zone, and tumour (H(2) = 4.8, p = 0.093 and H(2) = 0.86, p = 0.651, respectively). Thus, to conclude, we could most likely detect APT and amines and/or creatine levels noninvasively in prostate using the CEST effect. At group level, CEST showed a higher level of APT in the peripheral versus the central zone; however, no differences of APT and 2-ppm levels were observed in tumours. Prostatectomy ; Prostate cancer ; Magnetic resonance imaging ; Prostate ; Nuclear medicine ; Nuclear magnetic resonance ; Chemistry ; Medicine ; Cancer ; Radiology ; Internal medicine ; Physics Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Electron Spin Resonance Studies
Authors: Jamie Canderan | Moses Stamboulian | Yuzhen Ye
Source: Journal of Proteome Research (article, 2023-01-23)
Field: Chemistry — Spectroscopy

MetaProD: A Highly-Configurable Mass Spectrometry Analyzer for Multiplexed Proteomic and Metaproteomic Data The microbiome has been shown to be important for human health because of its influence on disease and the immune response. Mass spectrometry is an important tool for evaluating protein expression and species composition in the microbiome but is technically challenging and time-consuming. Multiplexing has emerged as a way to make spectrometry workflows faster while improving results. Here, we present MetaProD (MetaProteomics in Django) as a highly configurable metaproteomic data analysis pipeline supporting label-free and multiplexed mass spectrometry. The pipeline is open-source, uses fully open-source tools, and is integrated with Django to offer a web-based interface for configuration and data access. Benchmarking of MetaProD using multiple metaproteomics data sets showed that MetaProD achieved fast and efficient identification of peptides and proteins. Application of MetaProD to a multiplexed cancer data set resulted in identification of more differentially expressed human proteins in cancer tissues versus healthy tissues as compared to previous studies; in addition, MetaProD identified bacterial proteins in those samples, some of which are differentially abundant. Metaproteomics ; Computational biology ; Pipeline (software) ; Mass spectrometry ; Proteomics ; Computer science ; Proteome ; Workflow ; Identification (biology) ; Label-free quantification ; Multiplexing ; Quantitative proteomics ; Bioinformatics ; Biology ; Chemistry ; Chromatography ; Database ; Biochemistry ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: José Ramón Serrano | Francisco José Arnau | Alejandro Calvo | Rossana Burgos
Source: Applied Sciences (article, 2023-09-15)
Field: Materials Science — Materials Chemistry

Modeling and Evaluation of Oxy-Combustion and In Situ Oxygen Production in a Two-Stroke Marine Engine Considering the concerns for emissions reduction in the maritime sector, the present paper evaluates, through modeling and simulation, oxy-fuel combustion in a two-stroke ship engine (2SE) and the best production system configuration to obtain the required oxygen (O2). An initial model of a ship engine is calibrated with the engine manufacturer’s data and then adapted to work with O2 as the oxidant to eliminate nitrogen oxide (NOx) emissions and with exhaust gas recirculation (EGR) to control the in-cylinder combustion temperature. Mixed Ionic–Electronic Conducting (MIEC) membranes produce the necessary O2 from the ambient air, which is heated up and pressurized by a heat exchanger and turbocharging coupled system to provide the air conditions required for the proper operation of the MIEC. Several layouts of this system are evaluated for the full load engine operating point to find the optimum O2 production system configuration. Results reveal that the engine operating under oxy-fuel combustion conditions avoids NOx emissions at the expense of higher brake-specific fuel consumption (BSFC) to obtain the original brake torque, and also expels a stream composed exclusively of CO2 and H2O, which facilitates the separation of CO2 from exhaust gases. Turbocharger ; Automotive engineering ; Exhaust gas recirculation ; Brake specific fuel consumption ; Combustion ; NOx ; Environmental science ; Fuel efficiency ; Internal combustion engine ; Two-stroke engine ; Exhaust gas ; Engineering ; Waste management ; Mechanical engineering ; Chemistry ; Gas compressor Catalytic Processes in Materials Science ; Maritime Transport Emissions and Efficiency ; Vehicle emissions and performance
Authors: Hirofumi Ekawa | Jiaqi Shen | Kentaro Toyoki | Ryoichi Nakatani | Yu Shiratsuchi
Source: Applied Physics Letters (article, 2023-02-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gate-induced switching of perpendicular exchange bias with very low coercivity in Pt/Co/Ir/Cr2O3/Pt epitaxial film We investigate magnetoelectric switching of perpendicular exchange bias with very low coercivity in a Pt/Co/Ir/Cr2O3/Pt epitaxial film. We also optimize the suitable Ir spacer thickness so that the film exhibits the perpendicular exchange bias greater than the coercivity up to the vicinity of the Néel temperature. Main impact of the Ir spacer layer is the significant reduction of coercivity less than 0.5 mT in maintaining both the perpendicular magnetic anisotropy and the perpendicular exchange bias. For the suitable structure, the perpendicular exchange bias was isothermally switched by the gate voltage in combination with the magnetic field. Analysis of the hysteresis of the exchange bias field as a function of the gate voltage suggested that the magnetoelectric coefficient was comparable to the reported value. This implies that the Ir layer does not degrade the efficiency to transfer the magnetoelectrically controlled antiferromagnetic order parameter to the ferromagnetic Pt/Co/Ir trilayer. Coercivity ; Ferromagnetism ; Materials science ; Exchange bias ; Condensed matter physics ; Antiferromagnetism ; Magnetic hysteresis ; Hysteresis ; Epitaxy ; Perpendicular ; Magnetic anisotropy ; Magnetization ; Layer (electronics) ; Magnetic field ; Nanotechnology ; Physics Multiferroics and related materials ; Magnetic properties of thin films ; Magnetic and transport properties of perovskites and related materials
Authors: Sherzod Khudainazarov | Tulkin Mavlanov | Shoolim Salimov | Ulugova Mokhira | Тalibjan Sabirjanov
Source: E3S Web of Conferences (article, 2023-01-01)
Field: Materials Science — General Materials Science

Simulation of dynamic processes of shell structures with viscoelastic elements The paper presents the choice and method of calculating thin-walled structures that adequately reflect deformation in the compensator example. When choosing a design model, the influence of structural elements and their mechanical characteristics on its behavior in various operating conditions is taken into account since sometimes small changes in the design model can significantly impact the design analysis results. The complete design scheme of most designs, particularly the compensator, leads to statically indeterminate systems. Taking into account the energy dissipation in the shell material; the boundary value problems are reduced to a system of ordinary differential equations of the 12th order. The forms of natural oscillations for the first four natural frequencies are given. It is established that the inertia forces acting in the axial direction do not significantly affect the stress-strain state of shell structures. Inertia ; Shell (structure) ; Statically indeterminate ; Boundary value problem ; Dissipation ; Viscoelasticity ; Ordinary differential equation ; Structural engineering ; Mechanics ; Stress (linguistics) ; Deformation (meteorology) ; Natural frequency ; Differential equation ; Control theory (sociology) ; Computer science ; Engineering ; Mathematics ; Classical mechanics ; Materials science ; Physics ; Mathematical analysis ; Mechanical engineering ; Vibration Material Properties and Applications ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry ; Mechanical Systems and Engineering
Authors: Ahmed Saimi | Ismail Bensaid | Besma Khouani | Med Yassin Mazari | Ihab Eddine Houalef | Abdelmadjid Cheikh
Source: European Journal of Computational Mechanics (article, 2023-11-04)
Field: Materials Science — Materials Chemistry

A Novel Differential Quadrature Galerkin Method for Dynamic and Stability Behaviour of Bi-directional Functionally Graded Porous Micro Beams The free vibration and buckling behaviours of 2D-FG porous microbeams are explored in this paper utilizing the Quasi-3D beam deformation theory based on the modified couple stress theory and a Differential Quadrature Galerkin Method (DQGM) systematically, as a combination of the Differential Quadrature Method (DQM) and the semi-analytical Galerkin method, which has used to reduce computational cost for problems in dynamics. The governing equations are obtained using the Lagrange’s principle. The mass and stiffness matrices are calculated using the weighting coefficient matrices given by the differential quadrature (DQ) and Gauss-Lobatto quadrature rules. The matrices are expressed in a similar form to that of the Differential Quadrature Method by introducing an interpolation basis on the element boundary of the Galerkin method. The sampling points are determined by the Gauss-Lobatto node method. The influence of the thickness-to-material length scale parameter (MLSP) on the nondimensional natural frequencies and nondimensional critical buckling loads of 2D-FG porous microbeams are investigated, along with the effects of the boundary condition, aspect ratio and gradient index. The results are validated with literature to establish the accuracy of the procedure described. This work will provide a numerical basis for the design of FG microstructures in the field of micromechanics. These results can be applied to the engineering design of porous FG microstructures. Nyström method ; Galerkin method ; Quadrature (astronomy) ; Mathematics ; Boundary value problem ; Mathematical analysis ; Buckling ; Finite element method ; Materials science ; Structural engineering ; Physics Nonlocal and gradient elasticity in micro/nano structures ; Mechanical and Optical Resonators ; Composite Structure Analysis and Optimization