jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Maria Grazia Izzo | John Russo | G. Pastore
Source: Proceedings of the National Academy of Sciences (article, 2024-11-15)
Field: Materials Science — Materials Chemistry

The interplay between liquid–liquid and ferroelectric phase transitions in supercooled water The distinctive characteristics of water, evident in its thermodynamic anomalies, have implications across disciplines from biology to geophysics. Considered a valid hypothesis to rationalize its unique properties, a liquid-liquid phase transition in water below the freezing point, in the so-called supercooled regime, has nowadays been observed in several molecular dynamics simulations and is being actively researched experimentally. The hypothesis of ferroelectric phase transition in supercooled water can be traced back to 1977, due to Stillinger. In this work, we highlight intriguing and far-reaching implications of water: The ferroelectric and liquid-liquid phase transitions can be designed as two facets of the same underlying phenomenon. Our results are based on the analysis of extensive molecular dynamics simulations and are explained in the context of a classical density functional theory in mean-field approximation valid for a polar liquid, where dipolar interaction is treated perturbatively. The theory underpins the potential role of ferroelectricity in promoting the liquid-liquid phase transition, being the density-polarization coupling inherent in the dipolar interaction potential. The existence of ferroelectric order in supercooled low-density liquid water is confirmed by the observation in molecular dynamics simulations of collective modes in space-time polarization correlation functions, traceable to spontaneous breaking of continuous rotational symmetry. Our work sheds light on water's supercooled behavior and opens the door to experimental investigations of the static and dynamic behavior of water's polarization. Supercooling ; Ferroelectricity ; Phase transition ; Condensed matter physics ; Dipole ; Molecular dynamics ; Polarization (electrochemistry) ; Water model ; Context (archaeology) ; Chemical physics ; Materials science ; Physics ; Dielectric ; Chemistry ; Thermodynamics ; Computational chemistry ; Physical chemistry ; Quantum mechanics ; Geology Material Dynamics and Properties ; Spectroscopy and Quantum Chemical Studies ; Theoretical and Computational Physics
Authors: M. I. Rodríguez | U. Lisenfeld | S. Duarte Puertas | D. Espada | Jesús Domínguez-Gómez | M. Sánchez-Portal | Á. Bongiovanni | Manuel Alcázar-Laynez | M. Argudo–Fernández | Bahar Bidaran | Simon B. De Daniloff | J. Falcón‐Barroso | E. Florido | R. García-Benito | Andoni Jiménez | Kathryn Kreckel | R. F. Peletier | Isabel Pérez | T. Ruiz-Lara | L. Sánchez-Menguiano | G. Torres-Ríos | P. Villalba-González | S. Verley | A. Zurita
Source: Astronomy and Astrophysics (article, 2024-11-05)
Field: Chemistry — Spectroscopy

CO-CAVITY project: Molecular gas and star formation in void galaxies Context. Cosmic voids, distinguished by their low-density environment, provide a unique opportunity to explore the interplay between the cosmic environment and the processes of galaxy formation and evolution. Nevertheless, few data on the molecular gas have been obtained so far. Aims. In this paper, we continue the research performed in the CO-CAVITY pilot project to study the molecular gas content and properties in void galaxies in order to search for possible differences compared to galaxies that inhabit denser structures. Methods. We used the IRAM 30 m telescope to observe the CO(1–0) and CO(2–1) emission of 106 void galaxies selected from the CAVITY survey. Together with data from the literature, we obtained a sample of 200 void galaxies with CO data. We conducted a comprehensive comparison of the specific star formation rate (sSFR = SFR/ M ⋆ ), the molecular gas fraction ( M H 2 / M ⋆ ), and the star formation efficiency (SFE = SFR/ M H 2 ) between the void galaxies and a comparison sample of galaxies in filaments and walls selected from the xCOLD GASS survey. Results. We find no statistically significant difference between void galaxies and a comparison sample in the molecular gas fraction as a function of stellar mass for galaxies on the star-forming main sequence (SFMS). However, for void galaxies, the SFE is found to be constant across all stellar mass bins, while there is a decreasing trend with M ⋆ , for the comparison sample. Finally, we find some indications for a smaller dynamical range in the molecular gas fraction as a function of distance to the SFMS in void galaxies. Conclusions. Overall, we find that the molecular gas properties of void galaxies are not very different from those of denser environments. The physical origin of the most significant difference that we find – a constant SFE as a function of stellar mass in void galaxies – is unclear and further investigation and higher-resolution data are required to gain further insight. Physics ; Astrophysics ; Galaxy ; Star formation ; Void (composites) ; Astronomy Spectroscopy and Laser Applications ; Astrophysics and Star Formation Studies ; Cold Atom Physics and Bose-Einstein Condensates
Authors: Lorenzo Olivieri | Rannveig Marie Færgestad | Cinzia Giacomuzzo | Stefano Lopresti | G. Pitacco | Alessandro Francesconi | Tiziana Cardone | Jens Kristian Holmen | Tore Børvik
Source: Acta Astronautica (article, 2024-03-07)
Field: Materials Science — Materials Chemistry

Investigation of aluminium Whipple Shield response to hypervelocity impacts close to ballistic limit between 2.5 and 5 km/s For impact velocities larger than a threshold velocity of 3 km/s, aluminium Whipple Shields present an enhanced protection capability with respect to monolithic protections with the same areal density. In particular, in the range between 3 and 7 km/s the projectile partially fragments and melts after impacting the bumper; modelling this transition might be complex due to the high number of parameters affecting the collision. In particular, limited data is available in literature with a systematic evaluation of such parameters. In this context, a campaign of 22 experiments was performed to assess the response of aluminium Whipple Shields to normal impacts of aluminium projectiles in the transition range up to 5 km/s. In the tests, the projectile diameter was fixed at 2.9 mm and the bumper thickness and impact velocity were systematically varied respectively at 1, 1.5, and 2 mm and between 2.6 and 5 km/s. Collected data included high-velocity videos of the debris cloud generated by the impacts at both low resolution (for all shots) and high resolution (for 19 out of 22 tests); in addition, for 10 experiments high-resolution images of both the bumper and the wall were acquired after the tests. In this paper, the experimental campaign is described and the main collected results are presented; in particular, the influence of the different impact parameters is discussed. Experimental results are finally compared with numerical simulations conducted with a smoothed particle hydrodynamics method available in IMPETUS Solver. Projectile ; Hypervelocity ; Ballistic limit ; Shields ; Context (archaeology) ; Smoothed-particle hydrodynamics ; Shield ; Aluminium ; Range (aeronautics) ; Mechanics ; Debris ; Materials science ; Aerospace engineering ; Geology ; Physics ; Engineering ; Meteorology ; Composite material ; Metallurgy High-Velocity Impact and Material Behavior ; Structural Response to Dynamic Loads ; Fluid Dynamics Simulations and Interactions
Authors: Yusuf Durmuş | Ayşe Dilek Atasoy | Ahmet Ferit Atasoy
Source: Scientific Reports (article, 2024-08-07)
Field: Chemistry — Analytical Chemistry

Mathematical optimization of multilinear and artificial neural network regressions for mineral composition of different tea types infusions The objective of this study was to investigate the change in mineral composition depending on tea variety, tea concentration, and steeping time. Four different tea varieties, black Ceylon (BC), black Turkish (BT), green Ceylon (GC), and green Turkish (GT), were used to produce teas at concentrations of 1, 2, and 3%, respectively. These teas were produced using 7 different steeping times: 2, 5, 10, 20, 30, 45, and 60 min. It was also aimed to optimize the regression equations utilizing these factors to identify parameters conducive to maximizing Zn, K, Cu, Mg, Ca, Na, and Fe levels; minimizing Al content, and maintaining Mn level at 5.3 mg/L. The optimal conditions for achieving a Mn content of 5.3 mg/L in black Turkish tea entailed steeping at a concentration of 1.94% for 11.4 min. Variations in K and Mg levels across teas were inconsistent with those observed for other minerals, whereas variations in Al, Cu, Fe, Mn, Na, and Zn levels exhibited a close relationship. Overall, mineral levels in tea can be predicted through regression analysis, and by mathematically optimizing the resultant equations, the requisite conditions for tea production can be determined to achieve maximum, minimum, or target mineral values. Multilinear map ; Artificial neural network ; Composition (language) ; Computer science ; Mineral ; Regression ; Artificial intelligence ; Mathematics ; Chemistry ; Statistics ; Organic chemistry Heavy Metals in Plants ; Tea Polyphenols and Effects ; Phytochemicals and Antioxidant Activities
Authors: Gabriela Schneider | Alagammai Kaliappan | Nathan Joos | Laura M. Dooley | Brian S. Shumway | Jonathan B. Chaires | Wolfgang Zacharias | Jeffrey M. Bumpous | Nichola C. Garbett
Source: Cancers (article, 2024-12-18)
Field: Chemistry — Physical and Theoretical Chemistry

Evaluation of Thermal Liquid Biopsy Analysis of Saliva and Blood Plasma Specimens as a Novel Diagnostic Modality in Head and Neck Cancer Our findings support the feasibility of saliva-based TLB for HNC diagnostics, with further refinement in sample collection and the incorporation of additional patient variables anticipated to enhance accuracy, ultimately advancing non-invasive diagnostic strategies for HNC detection and monitoring. Saliva ; Head and neck cancer ; Liquid biopsy ; Biopsy ; Medicine ; Cancer ; Pathology ; Chromatography ; Oncology ; Nuclear medicine ; Chemistry ; Internal medicine thermodynamics and calorimetric analyses ; Heat shock proteins research ; ATP Synthase and ATPases Research
Authors: Manuel Gascón-Pérez
Source: Journal of Theoretical and Computational Acoustics (article, 2024-07-12)
Field: Materials Science — General Materials Science

Acoustic Radiation Characteristics of a Forced Vibrating Elastic Panel Under Thermal Environments This paper presents the thermo-acoustic frequency response of an un-baffled rectangular panel subjected to an external excitation load. A boundary element method BEM has been employed taking into account the Kirchhoff-Helmholtz K-H integral equation for the acoustic pressure and with the fluid-plate interface boundary condition the acoustic pressure jump over the panel is calculated. The thermal effects are considered regarding in the form of a uniform increment of temperature of the panel and are analysed in order to prevent the buckling phenomena. The excitation force considered is in the form of a concentrated load at some point of the panel and the deformation modes correspond to the vacuum case. Applying a collocation method for the panel equation, a frequency transfer function is obtained that relates the deflexion of the panel with the applied load. The effect of several geometric parameters, different thermal loads and location of the load applied on the acoustic radiated power and the acoustic efficiency spectrum are evaluated. Furthermore, the influence of the excitation frequency on the sound directivity is evaluated. The verification of the method is proven with other works. Thermal ; Radiation ; Acoustics ; Acoustic radiation ; Materials science ; Physics ; Optics ; Meteorology Material Properties and Applications
Authors: Efekan Kökcü | Roeland Wiersema | A. F. Kemper | Bojko Bakalov
Source: arXiv (Cornell University) (preprint, 2024-09-29)
Field: Chemistry — Spectroscopy

Classification of dynamical Lie algebras generated by spin interactions on undirected graphs We provide a classification of all dynamical Lie algebras generated by 2-local spin interactions on undirected graphs. Building on our previous work where we provided such a classification for spin chains, here we consider the more general case of undirected graphs. As it turns out, the one-dimensional case is special; for any other graph, the dynamical Lie algebra solely depends on whether the graph is bipartite or not. An important consequence of this result is that the cases where the dynamical Lie algebra is polynomial in size are special and restricted to one dimension. Lie algebra ; Mathematics ; Undirected graph ; Spin (aerodynamics) ; Pure mathematics ; Physics ; Combinatorics ; Algebra over a field ; Graph Molecular spectroscopy and chirality ; Advanced Topics in Algebra ; Algebraic structures and combinatorial models
Authors: Farkhodbek Umarov | Utkir Nasirov | D.R. Маkhmudоv | Ш.А. Очилов | Islomitdin Kudratov | S.M. Raimkulova
Source: E3S Web of Conferences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Justification of the Value of Well Drilling During Explosion of Leads The article considers the influence of the strength of rocks, the type of explosive height, the diameter and length of the charge in the drilling of wells on the quality of crushing rocks. It has been established that about 50% or more of the length of the drilled well is used irrationally, and only 50% is used for its intended purpose for destroying the explosive charge in order to destroy the massif by explosion. To determine the effect of the distance between the charges on the value of the resistance overcome along the sole, industrial experiments were carried out at the quarries of the NMMC and AGMK. Petroleum engineering ; Drilling ; Value (mathematics) ; Geology ; Computer science ; Engineering ; Mechanical engineering Material Properties and Failure Mechanisms ; Geotechnical and Geomechanical Engineering ; Engineering Diagnostics and Reliability
Authors: Dianxiang Sun | Wei Ma | Liming Nie | Yang Liu
Source: arXiv (Cornell University) (preprint, 2024-03-24)
Field: Materials Science — Materials Chemistry

SoK: Comprehensive Analysis of Rug Pull Causes, Datasets, and Detection Tools in DeFi Rug pulls pose a grave threat to the cryptocurrency ecosystem, leading to substantial financial loss and undermining trust in decentralized finance (DeFi) projects. With the emergence of new rug pull patterns, research on rug pull is out of state. To fill this gap, we first conducted an extensive analysis of the literature review, encompassing both scholarly and industry sources. By examining existing academic articles and industrial discussions on rug pull projects, we present a taxonomy inclusive of 34 root causes, introducing six new categories inspired by industry sources: burn, hidden owner, ownership transfer, unverified contract, external call, and fake LP lock. Based on the developed taxonomy, we evaluated current rug pull datasets and explored the effectiveness and limitations of existing detection mechanisms. Our evaluation indicates that the existing datasets, which document 2,448 instances, address only 7 of the 34 root causes, amounting to a mere 20% coverage. It indicates that existing open-source datasets need to be improved to study rug pulls. In response, we have constructed a more comprehensive dataset containing 2,360 instances, expanding the coverage to 54% with the best effort. In addition, the examination of 14 detection tools showed that they can identify 25 of the 34 root causes, achieving a coverage of 73.5%. There are nine root causes (Fake LP Lock, Hidden Fee, and Destroy Token, Fake Money Transfer, Ownership Transfer, Liquidity Pool Block, Freeze Account, Wash-Trading, Hedge) that the existing tools cannot cover. Our work indicates that there is a significant gap between current research and detection tools, and the actual situation of rug pulls. Data science ; Computer science Nuclear Materials and Properties ; VLSI and Analog Circuit Testing ; Fault Detection and Control Systems
Authors: Atsushi Machida | Kenji Nagata | Ryo Murakami | Hiroshi Shinotsuka | Hayaru Shouno | Hideki Yoshikawa | Masato Okada
Source: Journal of Electron Spectroscopy and Related Phenomena (article, 2024-05-29)
Field: Materials Science — Surfaces, Coatings and Films

Bayesian inference method utilizing SESSA in quantitative layer structure estimation from XPS data X-ray photoelectron spectroscopy (XPS) is a surface analysis technique for the nondestructive identification of elemental species and chemical states of solid samples, and the measured spectra are affected by not only sample-specific information but also factors dependent on the measurement environment. This feature makes it difficult to analyze the data for the chemical state identification of mixed samples when referring to the data measured with different models or in different environments. In a previous study, Bayesian inference was successfully applied to the analysis of XPS narrow-scan spectra, but the challenge was to apply Bayesian inference to XPS spectra of samples that are nonuniform in the depth direction. We propose a method to infer the layer structure of a sample from XPS spectra by incorporating Bayesian inference into the simulation of electron spectra for surface analysis (SESSA). SESSA can simulate XPS spectra of samples with specified composition and microstructure, and is already in use as a simulator with highly reproducible results. By utilizing the proposed method, one can estimate the layer structure of a sample from XPS data on the basis of the posterior probability distribution. In a typical XPS measurement, wide-scan data are acquired to qualitatively identify elemental species, and narrow-scan data are acquired to the estimate detailed composition and chemical state information of a sample. In this study, we have shown that given wide-scan or narrow-scan data without angle resolution, Bayesian inference can be applied to quantitatively analyze the layer structure information. Inference ; Bayesian probability ; Bayesian inference ; Computer science ; Layer (electronics) ; Estimation ; Data mining ; Artificial intelligence ; Materials science ; Engineering ; Nanotechnology Electron and X-Ray Spectroscopy Techniques ; Advancements in Photolithography Techniques ; Advanced X-ray and CT Imaging
Authors: Xin Yu | Ling Zhao | Zongbin Liu | Yiqing Zhang
Source: Journal of Agricultural Engineering (article, 2024-02-16)
Field: Chemistry — Analytical Chemistry

Distinguishing tea stalks of Wuyuan green tea using hyperspectral imaging analysis and Convolutional Neural Network Wuyuan green tea is a famous agricultural product in China and a product protected by national geo-graphical indications. The processed green tea also needs to remove impurities, such as stones, tea stalks, etc. However, tea stalks cannot be classified from Wuyuan green tea using photoelectric sorting and 2D image recognition technology since they have similar colors. This paper adopts hyperspectral imaging technology to solve the problem of inaccurate sorting caused by their similar colors. Green tea containing tea stalks was imaged using a visible and near-infrared camera with a wavelength of 400nm-1000nm. What’s more, Principal Component Analysis (PCA) was adopted to reduce the dimension of the col-lected hyperspectral image. And the Convolutional Neural Network (CNN) was used constructively to identify tea stalks in hyperspectral image, the CNN can automatically learn the corresponding features, avoid the complex feature extraction process. The experimental results showed that the recognition accuracy for tea stalks reaches 98.53%. The method has a high recognition rate and can meet the actual production requirements. After field testing, the selection rate is as high as 97.05%. Hyperspectral imaging ; Convolutional neural network ; Mathematics ; Biology ; Pattern recognition (psychology) ; Artificial intelligence ; Computer science Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Remote Sensing and Land Use
Authors: Panyi Li | Jiwei Zhao | Caofei Luo | Zhicheng Pei | Hui Jin | Yitian Huang | Wei Zhou | Bin Zheng
Source: Materials (article, 2024-10-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Self-Adaptive Intelligent Metasurface Cloak System with Integrated Sensing Units Metasurfaces, which are ultrathin planar metamaterials arranged in certain global sequences, interact uniquely with the surrounding light field and exhibit unusual effects of light modulation. Many interesting applications have been discovered based on metasurfaces, particularly in invisibility cloaks. However, most invisibility cloaks are limited to working in specific directions. Achieving effectiveness in multiple directions requires the metasurface to be designed with both perception and modulation capabilities. Current multi-directional metasurface cloak systems are implemented with discrete components rather than an integrated sensing component. Here, we propose an intelligent metasurface cloak system that integrates sensing units, resulting in the cloaking effect with the help of a real-time direction sensor and an adaptive feedback control system. A reconfigurable reflective meta-atom based on phase modulation is presented. Sensing units replace parts of the meta-atoms in the designed tunable metasurface, integrating with an FPGA responsible for measuring the direction and frequency of the incident wave, constituting a closed-loop system together with the feedback parts. Experimental results demonstrate that the metasurface cloak system can recognize the different directions of the incoming wave, and can adaptively manipulate the reflected phase of EM waves to conceal objects without any human participation. Cloaking ; Cloak ; Metamaterial ; Invisibility ; Computer science ; Modulation (music) ; Planar ; Optics ; Component (thermodynamics) ; Physics ; Acoustics ; Computer graphics (images) Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Junmin Wang | Steven Novick
Source: Bioinformatics (article, 2024-04-17)
Field: Chemistry — Spectroscopy

Peptide set test: a peptide-centric strategy to infer differentially expressed proteins Peptide set test (PepSetTest) is publicly available at https://github.com/JmWangBio/PepSetTest. Peptide ; Proteomics ; Proteome ; Computational biology ; Computer science ; Set (abstract data type) ; Bioinformatics ; Biology ; Biochemistry ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Biotin and Related Studies