jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bingyue Li | Hui Li | Chao Wu | Lulu Fu | Danil W. Boukhvalov | Mark G. Humphrey | Chi Zhang | Zhipeng Huang
Source: Angewandte Chemie (article, 2024-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Unlocking Giant Third‐Order Optical Nonlinearity in (MA)<sub>2</sub>CuX<sub>4</sub> through Introducing Jahn‐Teller Distortion Abstract Nonlinear absorption coefficient and modulation depth stand as pivotal properties of nonlinear optical (NLO) materials, while the existing NLO materials exhibit limitations such as low nonlinear absorption coefficients and/or small modulation depths, thereby severely impeding their practical application. Here we unveil that introducing Jahn–Teller distortion in a Mott‐Hubbard system, (MA) 2 CuX 4 (MA=methylammonium; X=Cl, Br) affords the simultaneous attainment of a giant nonlinear absorption coefficient and substantial modulation depth. The optimized compound, (MA) 2 CuCl 4 , demonstrates a nonlinear absorption coefficient of (1.5±0.08)×10 5 cm GW −1 , a modulation depth of 60 %, and a relatively low optical limiting threshold of 1.22×10 −5 J cm −2 . These outstanding attributes surpass those of most reported NLO materials. Our investigation reveals that a more pronounced distortion of the [CuX 6 ] 4− octahedron emerges as a crucial factor in augmenting optical nonlinearity. Mechanism study involving structural and spectral characterization along with theoretical calculations indicates a correlation between the compelling performance and the Mott‐Hubbard band structure of the materials, coupled with the Jahn–Teller distortion‐induced d ‐ d transition. This study not only introduces a promising category of high‐performance NLO materials but also provides novel insights into enhancing the performance of such materials. Distortion (music) ; Jahn–Teller effect ; Absorption (acoustics) ; Nonlinear system ; Modulation (music) ; Nonlinear optics ; Nonlinear distortion ; Materials science ; Attenuation coefficient ; Nonlinear optical ; Condensed matter physics ; Order (exchange) ; Absorption spectroscopy ; Optics ; Physics ; Ion ; Optoelectronics ; Quantum mechanics Crystal Structures and Properties ; Perovskite Materials and Applications ; Nonlinear Optical Materials Research
Authors: Julia Dyck | Odile Sauzet
Source: arXiv (Cornell University) (preprint, 2024-12-06)
Field: Chemistry — Analytical Chemistry

The BPgWSP test: a Bayesian Weibull Shape Parameter signal detection test for adverse drug reactions We develop the Bayesian Power generalized Weibull shape parameter (BPgWSP) test as statistical method for signal detection of possible drug-adverse event associations using electronic health records for pharmacovigilance. The Bayesian approach allows the incorporation of prior knowledge about the likely time of occurrence along time-to-event data. The test is based on the shape parameters of the Power generalized Weibull (PgW) distribution. When both shape parameters are equal to one, the PgW distribution reduces to an exponential distribution, yielding a constant hazard function. This is interpreted as no temporal association between drug and adverse event (AE). The BPgWSP test involves comparing a region of practical equivalence (ROPE) around one reflecting the null hypothesis with estimated credibility intervals (CI) reflecting the posterior means of the shape parameters. The decision to raise a signal is based on the CI+ROPE tests and the selected combination rule for these outcomes. The test development requires a simulation study for tuning of the ROPE and CIs to optimize specificity and sensitivity of the test. Samples are generated under various conditions, including differences in sample size, prevalence of adverse drug reactions (ADRs), and the proportion of AEs. We explore prior assumptions reflecting the belief in the presence or absence of ADRs at different points in the observation period. Various types of ROPE, CIs, and combination rules are assessed, and optimal tuning parameters are identified based on the area under the curve. The tuned BPgWSP test is illustrated in a case study in which the time-dependent correlation between the intake of bisphosphonates and four AEs is investigated. Weibull distribution ; Bayesian probability ; Test (biology) ; Drug reaction ; Statistics ; Computer science ; Detection theory ; Econometrics ; Reliability engineering ; Drug ; Mathematics ; Medicine ; Engineering ; Pharmacology ; Geology ; Detector ; Telecommunications Spectroscopy and Chemometric Analyses ; Computational Drug Discovery Methods ; Crystallization and Solubility Studies
Authors: Helmi Wasoh | Nur Ain Syaqirah Sapian | Ahmad Muhsin Mohammad Fatin | Murni Halim | Nor’Aini Abdul Rahman | Mohamad Zulfazli Mohd Sobri | Amalia Mohd Hashim | Mohd Termizi Yusof | Mohd Sabri Pak‐Dek | Yanty Noorzianna Abdul Manaf | Mohd Nasir Mohd Desa | Firdaus Mohamad Hamzah
Source: Journal of Environmental Microbiology and Toxicology (article, 2024-12-23)
Field: Chemistry — Analytical Chemistry

Clustering Analysis and Differentiation of Lard from Palm Oil and Soybean Oil Based on N-Alkane and Triacylglycerides Profiles Using Chemometric Analysis This investigation focused on analyzing lard derived from pig adipose tissue and two different vegetable oils (crude palm oil and soybean oil) through triacylglycerides (TAGs) and n-alkane profiling, employing chemometrics techniques. Unsaponifiable palm and soybean oils were isolated and examined using gas chromatography-mass spectrometry (GC-MS) to assess their n-alkane profiles. The identified n-alkane profiles were verified by comparing them with n-alkane standards (nC08–nC27). The experimental design incorporated several multivariate techniques, including Hierarchical Clustering Analysis (HCA), Principal Component Analysis (PCA), Random Forest (RF), and Partial Least Squares-Discriminant Analysis (PLS-DA). According to PLS-DA findings, nC25, nC27, and PPL are suggested as key TAG and n-alkane markers for the clustering analysis of lard from crude palm and soybean oils. These results indicate that further research is necessary to refine and validate these distinctions, especially when using chemometrics techniques. Palm oil ; Cluster analysis ; Soybean oil ; Alkane ; Chemistry ; Food science ; Chromatography ; Mathematics ; Statistics ; Organic chemistry ; Hydrocarbon Spectroscopy and Chemometric Analyses
Authors: Mehmet Korkmaz | Melih Korkmaz
Source: Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi (article, 2024-08-07)
Field: Materials Science — Polymers and Plastics

The Effects of Weaving Process on the Damage Formation of the E- Glass Yarn The woven fabric production can be executed in the weaving machine by the using of different mechanisms, which are working simultaneously. Because of the weaving mechanisms, the yarn has under tension and changed between the determined range within the repetitive cycles. The mechanisms and unsteady tension cause to damage on the yarns in the woven fabric production process. The breakable fibers like carbon or glass are more sensitive to degrade in the weaving machine because of their low friction resistance in comparison with the traditional fibers. The several of studies had been carried out to determine the tension of yarns and their damage mechanisms in the weaving process. However, they focused on the damage evolutions of warp yarns in the weaving process. In addition to the warp yarns, the damage evolution of weft yarns was investigated for industrial production in this study. The prevalent weft tensioning systems were evaluated, and the spring yarn tensioning system shown the best performance. Moreover, the yarn- to- machinery part type of friction was determined as the main reason to degrade warp yarns in the industrial production of glass woven fabric. Weaving ; Yarn ; Composite material ; Woven fabric ; Tension (geology) ; Materials science ; Process (computing) ; Textile ; LOOM ; Glass fiber ; Mechanical engineering ; Engineering ; Computer science ; Ultimate tensile strength Textile materials and evaluations ; Mechanical Behavior of Composites ; Additive Manufacturing and 3D Printing Technologies
Authors: Dinisha Govender | Robert Goetti | Young‐Jun Kim | Nicole Graf
Source: Neuro-Oncology (article, 2024-06-18)
Field: Materials Science — Surfaces, Coatings and Films

PATH-14. A CLINICAL CONUNDRUM - INFANTILE POSTERIOR FOSSA EPENDYMOMA WITH YAP1:MAML FUSION? Abstract BACKGROUND Ependymomas of infancy (0-18months) have been reported to comprise distinct clinical, pathological and genetic entities. Young age is typically associated with posterior fossa group A (PF-A) tumours and therefore a poor prognosis. Treatment of these infants is challenging with limited therapeutic options that have significant long-term sequelae. METHOD We report a single case of a 4-month old baby girl who presented with obstructive hydrocephalus and a presumed posterior fossa mass. RESULTS Imaging demonstrated a large fairly well-defined solid lesion with multiple T1 high and corresponding T2 intermediate signal intensity foci scattered throughout the lesion and marked mass effect on the cerebellum and fourth ventricle. The lesion was inseparable from the pineal gland, habenula and tectum and only mild diffusion restriction. Whilst initially considered to be a posterior fossa tumour, the presence of a claw sign with the tectal plate, favoured a tectal origin. Histological appearances, together with immunohistochemistry findings (GFAP positive and EMA patchy perinuclear dot expression) were consistent with classic ependymoma. Grading was difficult as mitotic activity was relatively low, although focal areas of high ki67 proliferation index were noted suggesting at least focal grade 3 areas. Retained expression of tumour cells for H3K27me3 on immunohistochemistry suggested the likely posterior fossa group B (PF-B) ependymoma. Local SNP chromosome microarray found no acquired clonal abnormality; with no detection of gain chromosome 1q; loss/LOH 6q; Loss/LOH 9p21.3 [CDKN2A, CDKN2B], chromothripsis 11q [ZFTA::RELA], Loss/LOH 17p13 [TP53] or Loss/LOH 22q [NF2]. Additional NGS sequencing identified a YAP1::MAML2 fusion (confirmed with targeted RT-PCR followed by subsequent Sanger sequencing). CONCLUSION This case highlights the challenges with overlapping clinical, pathological and radiological features in an infant with ependymoma, necessitating a molecular diagnosis. After 21months, the patient remains in complete remission following surgery alone. Ependymoma ; Posterior fossa ; Path (computing) ; Medicine ; Anatomy ; Radiology ; Computer science ; Programming language Electron and X-Ray Spectroscopy Techniques ; Nuclear Physics and Applications
Authors: Weifeng Lyu | Wenwang Ran | Runchun Guo | Yaoyi Gao | Jun Xiong
Source: Science and Technology of Nuclear Installations (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Proposal and Validation of a Diagnosis Method of Fuel Failures in Pressurized Water Reactor Nuclear Power Plants Based on research into the diagnosis methods for fuel failures in pressurized water reactor nuclear power plants and an analysis of existing problems, this paper proposes an enhanced fuel failure diagnosis method, addressing three key improvements: identification of the occurrence of fuel failure, diagnosis of the number of failed fuel rods, and the size of fuel rod failure. Other factors that may influence the diagnosis results are also identified and discussed. The proposed method is then verified using operational data from in‐service nuclear power plants in China. The verification results demonstrate that the improved diagnosis method accurately identifies fuel failures and exhibits broader applicability. Nuclear power ; Nuclear engineering ; Pressurized water reactor ; Reliability engineering ; Nuclear power plant ; Power (physics) ; Engineering ; Environmental science ; Waste management ; Nuclear physics ; Physics Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear Engineering Thermal-Hydraulics
Authors: Xuekang Lv | Rongrong Hu | Jiacheng Li | Salamat Ali | Gengjin Li | Jing Qi
Source: Research Square (preprint, 2024-02-22)
Field: Materials Science — Materials Chemistry

Influence of thermal conductivity and emissivity of heat shield surface material on the thermal field of Czochralski silicon crystal growth <title>Abstract</title> Silicon crystal for solar cells are mainly produced by the Czochralski (CZ) method, in which the quality and production cost of silicon crystal are mainly affected by the thermal field of the crystal growth furnace. While the thermal field is significantly influenced by the heat shield material, in this study, the effect of thermal conductivity and emissivity of the heat shield material on the global thermal field was investigated by numerical simulation in Ansys Fluent software. The heat shield surface is divided into two parts, the high-temperature side part (close to the crucible and melt) and the low-temperature side part (close to the crystal), which are named as Hot-Side-Material and Cold-Side-Material, respectively. The results show that the same material can be chosen for both parts and the smaller the thermal conductivity and the emissivity of the material, the better the thermal field. As the thermal conductivity and emissivity of the heat shield surface material decrease, the melt-crystal (m-c) interface deflection decreases; the maximum thermal stress of the crystal and the required heater power are also reduced, while the crystal axial temperature gradient increases. Therefore, it is recommended to select material with low emissivity and low thermal conductivity as heat shield surface material. Emissivity ; Materials science ; Thermal conductivity ; Shield ; Silicon ; Thermal ; Field (mathematics) ; Crystal (programming language) ; Composite material ; Surface (topology) ; Thermal conduction ; Condensed matter physics ; Optoelectronics ; Optics ; Thermodynamics ; Geology ; Geometry ; Physics Solidification and crystal growth phenomena ; Radiative Heat Transfer Studies ; Combustion and flame dynamics
Authors: Jannis Eckhoff | Vincent Adomat | Christian Kober | Marc Fette | Robert Weidner | Jens P. Wulfsberg
Source: Machines (article, 2024-08-27)
Field: Materials Science — Materials Chemistry

Towards a Framework for the Industrial Recommissioning of Residual Energy (IRRE): How to Systematically Evaluate and Reclaim Waste Energy in Manufacturing The extensive body of research dedicated to optimizing energy consumption and efficiency in the manufacturing sector demonstrates a significant and well-established legacy. Despite a peak of publications in this field over recent years, the subject of reusing residual energy is only infrequently discussed. Where authors target this topic, research is often exclusively directed towards specialized applications or industries. In this article, an initial attempt of approaching residual energy reclamation in industrial manufacturing in a structured and universal manner is made. By employing a systematic literature review and design science research, a universal tool chain for decomposing individual industrial manufacturing systems to successfully reclaim and reintegrate residual energy is developed. A comprehensive overview of technologies available for energy conversion in industrial scenarios and their corresponding efficiency ranges are presented in the form of a table, called the energy conversion overview (ECO) table. The main contribution poses a multistep sequential framework guiding through identifying, assessing, harnessing, reusing, and validating residual energy in manufacturing systems. As a universal tool, the Industrial Recommissioning of Residual Energy (IRRE) framework is empowering its adopters to systematically approach residual energy recovery in their individual context by a universal tool. The application of both tools is showcased in a case study from the large-aircraft carbon fiber manufacturing industry. Energy (signal processing) ; Residual ; Environmental science ; Waste management ; Computer science ; Engineering Graphite, nuclear technology, radiation studies ; Recycling and Waste Management Techniques ; Extraction and Separation Processes
Authors: Nur Anggraeni | Muslimin Muslimin | Vika Rizkia | Muhammad Abdul Ghofur
Source: TNI Angkatan Udara (article, 2024-06-11)
Field: Materials Science — Materials Chemistry

7. ANALISIS TENSILE STRENGTH PADA KOMPOSIT HYBRID SERAT SINTETIS, SERAT ALAM PELEPAH SALAK, FILLER SIC DAN AL2 O3 DENGAN METODE VACUUM ASSISTED RESIN TRANSFER MOLDING Penelitian ini bertujuan untuk mengetahui dan meningkatkan usaha pertahanan keamanan terhadap ancaman yang terjadi terutama didaerah-daerah konflik menuntut kelengkapan persenjataan dan perlindungan balistik yang lebih baik bagi pasukan-pasukan keamanan khusunya Tentara Nasional Indonesia. Salah satu bahan yang digunakan dalam perlindungan balistik adalah komposit yang biasa digunakan untuk rompi tahan peluru. Penelitian ini adalah bagian dari penelitian besar dalam menguji coba manufaktur bahankomposit resin epoxy berpenguat serat pelepah salak, serat karbon, serat kevlar menggunakanfiller SiC dan Al2O3 dengan metode Vacuum Assisted Resin Transfer Molding (VARTM) yang melakukan analisis pada uji kekerasan, kekuatan impak, kekuatan tarik, mikrostruktur, dan kemampuan balistik. Tetapi, penelitian ini hanya akan fokus menganalisis kekuatan tarik dari bahan komposit tersebut. Variasi volume serat yang diterapkan dalam komposit adalah variasiI (10% serat pelepah salak dan 10% serat kevlar), variasi II (5% serat pelepah salak dan 15% serat kevlar), variasi III (7,5% filler SiC, 7,5% filler Al2O3 dan 20% serat kevlar) dan variasi IV (5% filler SiC, 5% filler Al2O3 dan 25% serat kevlar). Spesimen dianalisis dengan menggunakan uji tarik menurut ASTM D 3039/D 3039M. Kekuatan tarik yang dihasilkan variasi II lebih besar 39,8% dari variasi I, sedangkan variasi IV lebih besar 9,41% dari variasi III. Composite material ; Materials science ; Filler (materials) ; Composite number ; Molding (decorative) Material Selection and Properties ; Innovative concrete reinforcement materials
Authors: Ziyi Cheng | Xiao Wu | Yudong Zhang | Wei Peng | Mingfu Zhu | Tianshui Liang | Shijiao Li | Yilin Hao | Zheyuan Zhang | Ronghan Wei
Source: Advanced Theory and Simulations (article, 2024-09-09)
Field: Materials Science — Surfaces, Coatings and Films

Wetting and Dewetting Behaviors of Droplets on the Nanoring Surface Abstract This study uses molecular dynamics simulations to investigate the wetting behavior of water droplets on a gold substrate with annular grooves. The research finds that droplet size and substrate hydrophilicity similarly affect wetting behavior. Enhanced hydrophilicity changes the velocity trend of droplet contact line movement, while droplet size impacts the magnitude of velocity change. Contact angle fluctuations are observed and analyzed theoretically based on Young's equation. The results provide insights into the relationship between droplet dynamics and surface structure, contributing to a better understanding of wetting processes at the microscopic level. Dewetting ; Nanoring ; Wetting ; Materials science ; Surface (topology) ; Nanotechnology ; Composite material ; Geometry ; Mathematics Surface Modification and Superhydrophobicity ; Fluid Dynamics and Heat Transfer ; Fluid Dynamics and Thin Films
Authors: Lap Yan Lennon Chan | Chenxin Li | Yixuan Yuan
Source: arXiv (Cornell University) (preprint, 2024-09-12)
Field: Materials Science — Surfaces, Coatings and Films

AutoPET Challenge: Tumour Synthesis for Data Augmentation Accurate lesion segmentation in whole-body PET/CT scans is crucial for cancer diagnosis and treatment planning, but limited datasets often hinder the performance of automated segmentation models. In this paper, we explore the potential of leveraging the deep prior from a generative model to serve as a data augmenter for automated lesion segmentation in PET/CT scans. We adapt the DiffTumor method, originally designed for CT images, to generate synthetic PET-CT images with lesions. Our approach trains the generative model on the AutoPET dataset and uses it to expand the training data. We then compare the performance of segmentation models trained on the original and augmented datasets. Our findings show that the model trained on the augmented dataset achieves a higher Dice score, demonstrating the potential of our data augmentation approach. In a nutshell, this work presents a promising direction for improving lesion segmentation in whole-body PET/CT scans with limited datasets, potentially enhancing the accuracy and reliability of cancer diagnostics. Computer science ; Programming language Electron and X-Ray Spectroscopy Techniques ; Semiconductor materials and devices ; Machine Learning in Materials Science
Authors: M.A. Moskalenko | Vitaliy Pavlovich Gvozdev
Source:  (article, 2024-12-11)
Field: Materials Science — General Materials Science

FEATURES OF STAINLESS STEEL PROPELLER BLADES FOR MARINE VESSELS () "" (homoeconomicus) "" (homo sociologies) "" (homosocial-economicculture) RES " " (homoeconomicus) "" (homosocialological) " " (homoeconomicus) -- Propeller ; Marine engineering ; Metallurgy ; Materials science ; Engineering Material Properties and Applications ; Engineering Diagnostics and Reliability ; Mechanical and Thermal Properties Analysis
Authors: Kristi Doleh | Leonard Humphrey | Chandler M. Linseisen | Michael D. Kitcher | Joanna M. Martin | Can Cui | Jean Anne C. Incorvia | Felipe García‐Sánchez | Naimul Hassan | Alexander J. Edwards | Joseph S. Friedman
Source: arXiv (Cornell University) (preprint, 2024-05-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Kinematic Model of Magnetic Domain Wall Motion for Fast, High-Accuracy Simulations Domain wall (DW) devices have garnered recent interest for diverse applications including memory, logic, and neuromorphic primitives; fast, accurate device models are therefore imperative for large-scale system design and verification. Extant DW motion models are sub-optimal for large-scale system design either over-consuming compute resources with physics-heavy equations or oversimplifying the physics, drastically reducing model accuracy. We propose a DW model inspired by the phenomenological similarities between motions of a DW and a classical object being acted on by forces like air resistance or static friction. Our proposed phenomenological model predicts DW motion within 1.2% on average compared with micromagnetic simulations that are 400 times slower. Additionally our model is seven times faster than extant collective coordinate models and 14 times more accurate than extant hyper-reduced models making it an essential tool for large-scale DW circuit design and simulation. The model is publicly posted along with scripts that automatically extract model parameters from user-provided simulation or experimental data to extend the model to alternative micromagnetic parameters. Kinematics ; Domain (mathematical analysis) ; Motion (physics) ; Computer science ; Physics ; Mathematics ; Classical mechanics ; Mathematical analysis Magnetic Properties of Alloys ; Magnetic Properties and Applications ; Electric Motor Design and Analysis