jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jingyu Guo | Songbai Cheng | Kai Wang | Wenzhong Zhou
Source: Applied Sciences (article, 2023-09-18)
Field: Materials Science — Materials Chemistry

Extended Development of a Fission Gas Release Behavior Model Inside Spherical Fuel Grains for LWR Reactors Fission gas plays a significant role in fuel rod performance following accidents. The amount of fission gas increases dramatically under accidental conditions. This leads to a subsequent rise in the fuel rod internal pressure and temperature due to aggravated gap conductance between the fuel pellet and cladding. As a result, fuel rod performance degrades. Therefore, studying fission gas behavior is crucial for accident assessment and evaluating fuel rod performance. Minimizing the Impact of fission gas on fuel rods is essential for maintaining their integrity and safety within nuclear reactors. One important aspect of ensuring safety is predicting fission gas release (FGR). In this study, we presented an extended model to be used in light water reactors (LWRs). The FGR can be modeled using COMSOL Multiphysics with the finite element method. This modeling approach considers both normal and abnormal conditions, with the latter categorized as Class-II type incidents. The model assumes that the gas diffusion inside a spherical grain varies over time. By examining perfect sinks with gas production, perfect sinks without gas production, and imperfect sinks under steady-state conditions, different initial and boundary conditions are set. To validate the accuracy and universality of expressions used in the model, input parameters from other models and experiments are utilized. By comparing the model’s results with these inputs, the accuracy and applicability of the expressions can be confirmed. This validation process ensures that the model provides reliable predictions for fission gas behavior in fuel rods under both normal and abnormal operating conditions. Based on our findings, it is evident that the FGR fraction displays an upward trend as diffusion coefficients and temperatures rise. Conversely, larger grain sizes and higher linear heat generation rates are associated with a reduction in the FGR fraction. Notably, enhanced resolution leads to a postponed onset of FGR. Furthermore, the influence of the diffusion coefficient on the FGR fraction primarily stems from the interconnected effects of temperature and linear heat generation rate. Nuclear engineering ; Rod ; Multiphysics ; Fission ; Fuel element failure ; Fission products ; Materials science ; Mechanics ; Nuclear reactor core ; Finite element method ; Engineering ; Nuclear physics ; Structural engineering ; Physics ; Neutron Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear Engineering Thermal-Hydraulics
Authors: Benjamin Vigneron | Julie Hlavacek-Larrondo | Carter Rhea | Marie-Lou Gendron-Marsolais | Jeremy Lim | Jake Reinheimer | Yuan Li | Laurent Drissen | Greg L. Bryan | Megan Donahue | A. C. Edge | A. C. Fabian | S. Hamer | Thomas Martin | M. McDonald | B. R. McNamara | A. Richard-Laferrière | Laurie Rousseau-Nepton | G. Mark Voit | Tracy Webb | Norbert Werner
Source: arXiv (Cornell University) (preprint, 2023-11-27)
Field: Chemistry — Spectroscopy

High-Spectral Resolution Observations of the Optical Filamentary Nebula in NGC 1275 We present new high-spectral resolution observations (R = $λ/Δλ$ = 7000) of the filamentary nebula surrounding NGC 1275, the central galaxy of the Perseus cluster. These observations have been obtained with SITELLE, an imaging Fourier transform spectrometer installed on the Canada-France-Hawai Telescope (CFHT) with a field of view of $11\text{ arcmin }\times 11 \text{ arcmin}$ encapsulating the entire filamentary structure of ionised gas despite its large size of $80 \text{ kpc}\times50 \text{ kpc}$. Here, we present renewed flux, velocity and velocity dispersion maps that show in great detail the kinematics of the optical nebula at \sii$\lambda6716$, \sii$\lambda6731$, \nii$\lambda6584$, H$α$(6563Å), and \nii$\lambda6548$. These maps reveal the existence of a bright flattened disk-shaped structure in the core extending to r $\sim 10$ kpc and dominated by a chaotic velocity field. This structure is located in the wake of X-ray cavities and characterised by a high mean velocity dispersion of $134$ km/s. The disk-shaped structure is surrounded by an extended array of filaments spread out to $r\sim 50$ kpc that are 10 times fainter in flux, remarkably quiescent and has a uniform mean velocity dispersion of $44$ km/s. This stability is puzzling given that the cluster core exhibits several energetic phenomena. Based on these results, we argue that there are two mechanisms to form multiphase gas in clusters of galaxies: a first triggered in the wake of X-ray cavities leading to more turbulent multiphase gas and a second, distinct mechanism, that is gentle and leads to large-scale multiphase gas spread throughout the core. Physics ; Astrophysics ; Velocity dispersion ; Nebula ; Flux (metallurgy) ; Galaxy ; Telescope ; Astronomy ; Stars Spectroscopy and Laser Applications ; Astrophysics and Star Formation Studies ; Galaxies: Formation, Evolution, Phenomena
Authors: Sébastien Hanauer | Adnen Mlayah | Sélyan Beldjoudi | Ihar Faniayeu | Alexandre Dmitriev | Inès Massiot | F. Carcenac | Jean Baptiste Doucet
Source: HAL (Le Centre pour la Communication Scientifique Directe) (preprint, 2023-06-12)
Field: Materials Science — Materials Chemistry

Conception et intégration d'une interface photothermique nanostructurée au sein de dispositifs de cogénération photovoltaïque-thermoélectrique National audience Photothermal therapy ; Thermoelectric effect ; Photovoltaic system ; Materials science ; Engineering physics ; Optoelectronics ; Interface (matter) ; Solar energy ; Energy (signal processing) ; Thermoelectric generator ; Nanotechnology ; Electrical engineering ; Engineering ; Physics Advanced Thermoelectric Materials and Devices ; Solar Thermal and Photovoltaic Systems
Authors: Ksenia Zlobina | Ashwin Gopinath | Anu Thubagere
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-12-08)
Field: Chemistry — Spectroscopy

Method for Identifying Proteomic Biomarkers of Health ABSTRACT Classification of proteomic samples from sick and non-sick individuals is important for developing high-quality diagnostics of diseases. Creating a shortlist of proteins useful for diagnostics is challenging. In this manuscript a simple algorithm of creating a multidimensional biomarker of health based on scanning proteomics data is provided. The algorithm is applied to several existing publicly available datasets and demonstrates a 9-protein indicator of atopic dermatitis, and 6-protein indicator of heart failure. Computational biology ; Biomarker discovery ; Proteomics ; Data science ; Computer science ; Biology ; Genetics Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Bioinformatics and Genomic Networks
Authors: Habraken, Anne | Jardin  Tome, Ruben | Pham Quy Duc, Thinh | Tchuindjang, Jérôme Tchoufack | Carrus, Raoul | Tuninetti, | Duchene, Laurent | Mertens, Anne | Hoang, T.V. | Tran Xuan  Van,
Source: Open Repository and Bibliography (University of Liège) (article, 2023-10-05)
Field: Materials Science — Materials Chemistry

Simulations of Directed Energy Deposition process, High Speed Steel Deposition (geology) ; Welding ; Energy (signal processing) ; High-speed steel ; Field (mathematics) ; Work (physics) Metal Alloys Wear and Properties ; Additive Manufacturing Materials and Processes ; High-Temperature Coating Behaviors
Authors: Yuki Kimura | Hiroyasu Katsuno | Shizuka HIRAKAWA | Tomoya YAMAZAKI
Source: Vacuum and Surface Science (article, 2023-12-09)
Field: Materials Science — Surfaces, Coatings and Films

Data-driven “&lt;i&gt;In situ&lt;/i&gt;” Liquid-cell Transmission Electron Microscope Observation by Machine Learning Non-equilibrium processes such as nucleation are difficult to observe in situ using transmission electron microscopy (TEM) because of spatiotemporal stochastic process. Therefore, we have been developing a method to predict/detect nucleation events and observe under low electron doses conditions in real time with the support of machine learning. Low electron dose observation is important to avoid radiolysis of water in the observation of aqueous solutions using liquid-cell TEM. Our data-driven TEM that can suggest observation points to the operator by processing in situ observation data in real time. In other words, it is data-driven TEM in which the TEM helps the operator, rather than the TEM being driven by the data. By incorporating the two codes into the TEM's software, nucleation can now be observed efficiently. Nucleation ; Transmission electron microscopy ; Radiolysis ; Process (computing) ; Computer science ; Materials science ; Aqueous solution ; In situ ; Biological system ; Chemical physics ; Nanotechnology ; Chemistry ; Physics ; Thermodynamics ; Physical chemistry ; Biology Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Anodic Oxide Films and Nanostructures
Authors: Eugeniy Ozhiganov | С. В. Коновалов | И. А. Панченко | Mariya M. Bazhenova
Source: Bulletin of the Siberian State Industrial University (article, 2023-12-30)
Field: Materials Science — Materials Chemistry

INFLUENCE OF DEFECTS ON THE STRUCTURAL-PHASE STATE OF WELDED JOINTS AND PARAMETERS OF ACOUS Iron is always present in aluminum, as it is the predominant impurity of technical aluminum and the main impurity of pure aluminum. It gets into aluminum when using steel equipment during melting and casting, a significant part - from the raw material for the production of aluminum - alumina. Materials science ; Welding ; Composite material ; Ferrite (magnet) ; Lamellar structure ; Austenite ; Metallurgy ; Martensite ; Heat-affected zone ; Microstructure Material Properties and Failure Mechanisms ; Engineering and Environmental Studies ; Welding Techniques and Residual Stresses
Authors: Süheyla Esin Köksal | Orhan Kelleci
Source:  (article, 2023-08-10)
Field: Materials Science — Polymers and Plastics

Preparation and Characterization of Eco-friendly Plywood Produced with Waste Polystyrene In this study, polystyrene (PS) has been melted using gasoline and used as an adhesive in Plywood production. Nowadays, thermoset resins which have formaldehyde emission are used in Plywood production. This study aims to enable the recycling of waste polystyrene and produce eco-friendly Plywood. Beech veneer (BC) with a thickness of 2 mm is used as the wood material. On top of the BC, PS sheets with the same width and length dimensions, but with a thickness of 5 mm, were placed. Then, gasoline was sprayed onto the PS sheets. In this way, 6 layers of BC and 5 layers of PS plates were overlapped together and cold-pressed under 4 bar pressure for 24 hours without using any heat during the process. Similarly, 3 pieces of 3 mm Medium Density Board (MDF) and 10 mm PS plate (20 kg/m3 ) were overlapped each other and then cold-pressed. MDFs bonded with polyurethane (PU) and polyvinyl acetate (PVA) were also prepared in 3 layers. Afterward, analysis samples were cut from these materials. Mechanical and physical characterization of the samples was conducted according to TSE (Turkish Standards Institution) standards, including bending, tensile, screw holding, density, water absorption, and thickness swelling analyses. According to results, it has been determined that the sample produced with PU has the highest mechanical strength and physical durability. The samples produced using melted PS exhibit mechanical strength and physical resistance above the standards. As a result of the study, it is concluded that waste PS, after being melted with gasoline, can be used as an adhesive in plywood production. Thus, eco-friendly plywood without formaldehyde emissions can be manufactured. Materials science ; Composite material ; Polyvinyl acetate ; Polystyrene ; Adhesive ; Ultimate tensile strength ; Durability ; Flexural strength ; Polyurethane ; Thermoplastic ; Polymer ; Layer (electronics) Natural Fiber Reinforced Composites ; Wood Treatment and Properties ; Lignin and Wood Chemistry
Authors: Thorben Fröhlking | Mattia Bernetti | Giovanni Bussi
Source: arXiv (Cornell University) (preprint, 2023-03-16)
Field: Chemistry — Spectroscopy

Refinement of molecular dynamics ensembles using experimental data and flexible forward models A novel method combining maximum entropy principle, the Bayesian-inference of ensembles approach, and the optimization of empirical forward models is presented. Here we focus on the Karplus parameters for RNA systems, which relate the dihedral angles of $γ$, $β$, and the dihedrals in the sugar ring to the corresponding $^3J$-coupling signal between coupling protons. Extensive molecular simulations are performed on a set of RNA tetramers and hexamers and combined with available nucleic-magnetic-resonance data. Within the new framework, the sampled structural dynamics can be reweighted to match experimental data while the error arising from inaccuracies in the forward models can be corrected simultaneously and consequently does not leak into the reweighted ensemble. Carefully crafted cross-validation procedure and regularization terms enable obtaining transferable Karplus parameters. Our approach identifies the optimal regularization strength and new sets of Karplus parameters balancing good agreement between simulations and experiments with minimal changes to the original ensemble. Molecular dynamics ; Dynamics (music) ; Computer science ; Statistical physics ; Physics ; Chemistry ; Computational chemistry Mass Spectrometry Techniques and Applications
Authors: Dimitrios C. Rodopoulos | Nikolaos Karathanasopoulos
Source:  (article, 2023-01-01)
Field: Materials Science — General Materials Science

A NUMERICAL TOOL FOR THE ANALYSIS OF THE THERMOMECHANICAL BEHAVIOR OF CAVITY METAMATERIALS BASED ON THE BOUNDARY ELEMENT METHOD A NUMERICAL TOOL FOR THE ANALYSIS OF THE THERMOMECHANICAL BEHAVIOR OF CAVITY METAMATERIALS BASED ON THE BOUNDARY ELEMENT METHOD - 10th ECCOMAS Thematic Conference on Smart Structures and Materials - 03-05 July 2023, Patras, Greece Metamaterial ; Boundary element method ; Finite element method ; Boundary (topology) ; Element (criminal law) ; Materials science ; Computer science ; Mechanical engineering ; Structural engineering ; Engineering ; Mathematical analysis ; Mathematics ; Optoelectronics ; Law Material Properties and Applications
Authors: Sean A. Ridout | Indrajit Tah | Andrea J. Liu
Source: arXiv (Cornell University) (preprint, 2023-08-15)
Field: Materials Science — Materials Chemistry

Building a "trap model" of glassy dynamics from a local structural predictor of rearrangements Here we introduce a variation of the trap model of glasses based on softness, a local structural variable identified by machine learning, in supercooled liquids. Softness is a particle-based quantity that reflects the local structural environment of a particle and characterizes the energy barrier for the particle to rearrange. As in the trap model, we treat each particle's softness, and hence energy barrier, as evolving independently. We show that such a model reproduces many qualitative features of softness, and therefore makes qualitatively reasonable predictions of behaviors such as the dependence of fragility on density in a model supercooled liquid. We also show failures of this simple model, indicating features of the dynamics of softness that may only be explained by correlations. Fragility ; Supercooling ; Trap (plumbing) ; Statistical physics ; Particle (ecology) ; Simple (philosophy) ; Variable (mathematics) ; Dynamics (music) ; Energy landscape ; Energy (signal processing) ; Physics ; Chemical physics ; Thermodynamics ; Mathematics ; Geology Material Dynamics and Properties
Authors: Juhyeok Lee | Hyesung Jo | Chaehwa Jeong | Tae-Gu Lee | Seunghwa Ryu | Yongsoo Yang
Source: Microscopy and Microanalysis (article, 2023-07-22)
Field: Materials Science — Surfaces, Coatings and Films

Single-Atom Level Determination of 3-Dimensional Surface/Interface Atomic Structures via Deep Learning-Assisted Atomic Electron Tomography Journal Article Single-Atom Level Determination of 3-Dimensional Surface/Interface Atomic Structures via Deep Learning-Assisted Atomic Electron Tomography Get access Juhyeok Lee, Juhyeok Lee Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Search for other works by this author on: Oxford Academic Google Scholar Hyesung Jo, Hyesung Jo Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Search for other works by this author on: Oxford Academic Google Scholar Chaehwa Jeong, Chaehwa Jeong Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Search for other works by this author on: Oxford Academic Google Scholar Taegu Lee, Taegu Lee Department of Mechanical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Search for other works by this author on: Oxford Academic Google Scholar Seunghwa Ryu, Seunghwa Ryu Department of Mechanical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Search for other works by this author on: Oxford Academic Google Scholar Yongsoo Yang Yongsoo Yang Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, South Korea Corresponding author: yongsoo.yang@kaist.ac.kr Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 29, Issue Supplement_1, 1 August 2023, Page 1384, https://doi.org/10.1093/micmic/ozad067.712 Published: 22 July 2023 Library science ; Physics ; Engineering ; Computer science Electron and X-Ray Spectroscopy Techniques ; Advanced Materials Characterization Techniques ; Advanced Electron Microscopy Techniques and Applications
Authors: Trent E. Balius | Mayukh Chakrabarti | Y. Stanley Tan
Source: ChemRxiv (preprint, 2023-06-06)
Field: Materials Science — Materials Chemistry

DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking To allow DOCK 6 access to unprecedented chemical space for screening billions of small molecules, we have implemented features from DOCK 3.7 into DOCK 6, including a search routine that traverses precomputed ligand conformations stored in a hierarchical database. We tested them on the DUDE-Z and SB2012 test sets. The hierarchical database search routine is 16 times faster than anchor-and-grow. However, the ability of hierarchical database search to reproduce the experimental pose is 16% worse than that of anchor-and-grow. The enrichment performance is on average similar, but DOCK 3.7 has better enrichment than DOCK 6, and DOCK 6 is on average 1.7 times slower. However, with post-docking torsion minimization, DOCK 6 surpasses DOCK 3.7. A large-scale virtual screen is performed with DOCK 6 on 23 million fragment molecules. We use current features in DOCK 6 to complement hierarchical database calculations, including torsion minimization, which is not available in DOCK 3.7. DOCK ; Computer science ; Docking (animal) ; Tree traversal ; Minification ; Algorithm ; Chemistry ; Programming language Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Protein Structure and Dynamics
Authors: Tej Varma Yenupuri | Safi Rafie-Zinedine | Lena Worbs | Michaël Heymann | Joachim Schulz | Johan Bielecki | Filipe R. N. C. Maia
Source: arXiv (Cornell University) (preprint, 2023-09-25)
Field: Materials Science — Materials Chemistry

Helium-Electrospray: an improved sample delivery system for single-particle imaging with X-ray lasers Imaging the structure and observing the dynamics of isolated proteins using single-particle X-ray diffractive imaging (SPI) is one of the potential applications of X-ray free-electron lasers (XFELs). Currently, SPI experiments on isolated proteins are limited by three factors: low signal strength, limited data and high background from gas scattering. The last two factors are largely due to the shortcomings of the aerosol sample delivery methods in use. Here we present our modified electrospray ionization (ESI) source, which we dubbed Helium-ESI (He-ESI). With it, we increased particle delivery into the interaction region by a factor of 10, for 26 nm-sized biological particles, and decreased the gas load in the interaction chamber corresponding to an 80% reduction in gas scattering when compared to the original ESI. These improvements will lead to a significant increase in the quality and quantity of SPI diffraction patterns in future experiments using He-ESI, resulting in higher-resolution structures. Helium ; Scattering ; Electrospray ionization ; Particle (ecology) ; Materials science ; Mass spectrometry ; Diffraction ; Ionization ; Laser ; Optics ; Analytical Chemistry (journal) ; Chemistry ; Atomic physics ; Physics ; Chromatography ; Ion Enzyme Structure and Function ; Advanced X-ray Imaging Techniques ; Advanced Electron Microscopy Techniques and Applications
Authors: CASSIANA ALVES FERREIRA | Janet Gaby Inga Guillen | Raul Huacho Buendía | Osir Daygor Vidal Alanya | Danessa Clarita Reyes Aliaga | Sthefany Madjory Moya Mateo | Benji Steve Ascue Miranda | Thonny Centeno Utos | Andres Velez | Mario Tomazello Filho
Source: LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas) (article, 2023-06-21)
Field: Chemistry — Organic Chemistry

Identification of 20 species from the Peruvian Amazon tropical forest by the wood macroscopic features: Caracterização macroscópica da madeira de 20 espécies na Amazônia Peruana Background: The biodiversity of the Peruvian Amazon tropical forests is one of the most expressive in the world, with 2500 forest species, although restricted to about 250 tree species used commercially. This species diversity indicates the challenge magnitude for research in taxonomy and timber species identification. Likewise, it implies the complexity of biodiversity conservation and restorationmeasures, which are directly related to the control of deforestation, cutting and transport of illegal wood. With this objective, the present study describes the macroscopic wood anatomical features in order to identify 20 tree species from Peruvian Amazon Forest, “Selva Central”, including an identification key and tree species botanical validation.Results: The wood species are included in 12 families commonly found in the tropical forests of Peru, highlighting the Fabaceae (25%), Moraceae (15%), Podocarpaceae and Lauraceae (10%) families and are sold as timber for several uses and applications in the internal market and for export. The wood species presented common anatomical features, such as diffuse porosity, visible axial parenchymamainly distinct, and, eventually, with ray storied, e. g: A. cearensis, M. balsamum and M. peruiferum.Conclusion: The tropical tree species identification is possible by analyzing their wood macroscopic anatomical structure. The results can be also applied in the wood trade traceability by controlling deforestation and illegal wood commerce and in proposing policies for biodiversity conservation and sustainable use of natural resources. They constitute, likewise, a database for the recent woodidentification methodologies presented in the specialized literature. Amazon rainforest ; Biodiversity ; Deforestation (computer science) ; Tropics ; Podocarpaceae ; Identification (biology) ; Biodiversity conservation ; Taxonomy (biology) ; Amazonian Wood and Agarwood Research ; Wood Treatment and Properties ; Agricultural and Food Sciences