jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rubel Khan | Mamunur Rashid | Sharif Ahmed | Ehsanur Rashid | Raihan Ul Haque
Source: European Scientific Journal ESJ (article, 2021-07-31)
Field: Materials Science — Polymers and Plastics

Investigation Of Fiber Length Change In Different Stages Of Ring Spinning Process Fiber length is one of the major fiber properties that influence yarn strength, evenness, product handle, product luster, and yarn hairiness. To assure yarn quality, fiber passes through a number of machinery during the spinning process, where it is subjected to various sorts of action that modifies the fiber length. As different process parameters are chosen based on fiber length, fiber length analysis throughout the spinning process will benefit in the adjustment of machine parameters to produce better quality yarn. This study will reveal the chronological change in average fiber length at different stages of the carded ring spinning process, as well as a correlation analysis of length change among different phases, using correlation and regression methods. For five distinct mixing samples, raw cotton, card mat, carded sliver, breaker drawn sliver, finisher drawn sliver, roving, and yarn (pneumafil) were examined at each stage from raw cotton to ring frame. Then, using USTER AFIS PRO, all of the samples were numerically evaluated and statistically analyzed using Microsoft Excel 2016. A positive correlation between fiber length changes at several phases was observed in the experiment, with average fiber length increasing in carding, breaker drawing, finisher drawing, and simplex but decreasing in card mat and ring. Carding ; Spinning ; Yarn ; Fiber ; Materials science ; Composite material ; Breaking strength ; Mathematics ; Engineering drawing ; Engineering Textile materials and evaluations
Authors: Florian Matz | Jordi Cirera
Source: ChemRxiv (preprint, 2021-02-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tuning the Spin-Crossover Properties of the [(Cp1-R)2Mn] Metallocenes &lt;p&gt; In this work, we present a computational study using density functional theory (DFT) on how the single functionalization of the cyclopentadienyl ligand in&lt;br&gt; [(Cp&lt;sup&gt;1-R&lt;/sup&gt;)&lt;sub&gt;2&lt;/sub&gt;Mn] systems can be used to tune the spin-crossover properties in such systems. Using the OLYP functional, accurate values for the transition temperature (&lt;i&gt;T&lt;/i&gt;&lt;sub&gt;1/2&lt;/sub&gt;) can be obtained, and our DFT methodology can be used to explore the effect that different substituents have on tuning such quantity. In particular, we show that the electronic structure of the [(Cp&lt;sup&gt;1-R&lt;/sup&gt;)&lt;sub&gt;2&lt;/sub&gt;Mn] can be tuned via the R group, allowing for a fine-tuning degree of the &lt;i&gt;T&lt;/i&gt;&lt;sub&gt;1/2&lt;/sub&gt; that expands between 0 and 400 K. Our results allow for a rational design of new manganocene based systems with tailored SCO properties.&lt;/p&gt; Spin crossover ; Density functional theory ; Chemistry ; Cyclopentadienyl complex ; Ligand (biochemistry) ; Crystallography ; Stereochemistry ; Computational chemistry ; Organic chemistry ; Receptor Magnetism in coordination complexes ; Molecular Junctions and Nanostructures ; Organic and Molecular Conductors Research
Authors: Kévin Renault | Arnaud Chevalier | Jérôme Bignon | Denis Jacquemin | Jean‐Alexandre Richard | Anthony Romieu
Source: ChemRxiv (preprint, 2021-03-26)
Field: Materials Science — Materials Chemistry

Unprecedented Coumarin-Pyronin Hybrid Dyes: Synthesis, Fluorescence Properties and Theoretical Calculations A novel class of rosamine dyes bearing a 7-substituted 4-hydroxycoumarin unit as &lt;i&gt;meso&lt;/i&gt;-heteroaryl ring is presented. The latent &lt;i&gt;C&lt;/i&gt;-nucleophilic character of 4-hydroxycoumarin derivatives (&lt;i&gt;i.e.&lt;/i&gt;, their C-3 position as nucleophilic center) has been drawn on in the designing of two unprecedented synthetic routes towards these atypical xanthene dyes. They are based on an effective formal Knoevenagel condensation with either pyronin derivatives or a mixed bis-aryl ether bearing both an aldehyde and a masked phenylogous amine, possibly applicable to a wide range of latent cyclic &lt;i&gt;C&lt;/i&gt;-nucleophiles. We also report experimental and theoretical photophysical investigations of these unique coumarin-pyronin hybrid structures and particularly their form low-lying quenching states, some of dark twisted intramolecular charge transfer (TICT) nature, depending on the medium (CHCl&lt;sub&gt;3&lt;/sub&gt; and water). Furthermore, two fluorophore compounds &lt;b&gt;9&lt;/b&gt; and &lt;b&gt;11&lt;/b&gt; have been applied for imaging in paraformaldehyde-fixed A549 cells to gain insights into their permeation and localization. Chemistry ; Knoevenagel condensation ; Nucleophile ; Xanthene ; Fluorophore ; Amine gas treating ; Aryl ; Coumarin ; Medicinal chemistry ; Photochemistry ; Fluorescence ; Stereochemistry ; Alkyl ; Organic chemistry Photochromic and Fluorescence Chemistry ; Photochemistry and Electron Transfer Studies ; Luminescence and Fluorescent Materials
Authors: Sebastian Kaule | Alper Oener | Klaus-Peter Schmitz | Stefan Siewert | Anja Kurzhals | Christoph Brandt-Wunderlich | Niels Grabow | Samuel Hing | Finja Borowski | Sabine Illner | Alper ner | Michael Stiehm
Source: Biomedizinische Technik/Biomedical Engineering (article, 2021-09-01)
Field: Materials Science — Materials Chemistry

07-1115-C11 General interest ; Medicine ; Philosophy ; Epistemology ; Contemporary philosophy Solid-state spectroscopy and crystallography
Authors: Edoardo Basilico
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2021-12-14)
Field: Materials Science — General Materials Science

Carbon steel corrosion scales protectiveness study in CO2 aqueous solution This study is concentrated on the protectiveness of the carbon steel corrosion product scales in CO2 aqueous conditions. At first, a bibliographic study is performed on the characteristics of a corrosion product layer both from the electrochemical perspective and a structural perspective dealing with its morphology and composition. A specific section is dedicated to pseudo-passivation of carbon steels, a particularly protective condition that forms spontaneously in certain environments. Finally, the effect of relevant impurities presents in industrial environments such as chlorides, calcium ions and oxygen, is analyzed in relation to the protectiveness of the scales and the corrosion processes. In order to investigate the scales protectiveness and the changes that some inputs have on them pseudo-passivation, a reference experimental condition is selected. Pseudo-passive scales are composed by siderite; magnetite is observed occasionally and never forming a continuous film between the siderite layer and the carbon steel substrate. The electrochemical reaction mechanism explaining pseudo-passivation is investigated by applying different overpotential and flow conditions on the pseudo-passivated scales. Using the observations obtained with those experiments, an electrochemical impedance model is proposed explaining the behavior of the reactions before and after pseudo-passivity. It is considered that before pseudo-passivation, a simple reduction of the active surface slows down the corrosion of the carbon steel. After the pseudo-passivation, a diffusion limitation attributed to the anodic reaction (going through an adsorbed step process) is proposed. Finally, the effect of oxygen contamination in CO2 aqueous conditions is investigated. Oxygen contamination is introduced in the hundreds of ppb range. O2 changes the corrosion morphology from a uniform corrosion type to a localized one. Inside the localized corrosion features, other phases than siderite such as chukanovite, precipitate. The propagation of the localized corrosion features depth is strongly correlated to the oxygen content of the solution. The propagation of the pits stops when O2 is not present anymore and for our experimental conditions, a protective pseudo-passive layer is rebuilt. Our results could be explained with an O2 contamination model already proposed in the literature. Aqueous solution ; Carbon steel ; Corrosion ; Carbon fibers ; Metallurgy ; Materials science ; Chemistry ; Composite material ; Physical chemistry ; Composite number Material Properties and Applications
Authors: R. J. Green | V. B. Zabolotnyy | M. Zwiebler | Zhaoliang Liao | S. Macke | Ronny Sutarto | Feizhou He | Mark Huijben | Guus Rijnders | Gertjan Koster | J. Geck | V. Hinkov | G. A. Sawatzky
Source: arXiv (Cornell University) (preprint, 2021-06-22)
Field: Materials Science — Materials Chemistry

Intrinsic versus extrinsic orbital and electronic reconstructions at complex oxide interfaces The interface between the insulators LaAlO$_3$ and SrTiO$_3$ accommodates a two-dimensional electron liquid (2DEL) -- a high mobility electron system exhibiting superconductivity as well as indications of magnetism and correlations. While this flagship oxide heterostructure shows promise for electronics applications, the origin and microscopic properties of the 2DEL remain unclear. The uncertainty remains in part because the electronic structures of such nanoscale buried interfaces are difficult to probe, and is compounded by the variable presence of oxygen vacancies and coexistence of both localized and delocalized charges. These various complications have precluded decisive tests of intrinsic electronic and orbital reconstruction at this interface. Here we overcome prior difficulties by developing an interface analysis based on the inherently interface-sensitive resonant x-ray reflectometry. We discover a high charge density of 0.5 electrons per interfacial unit cell for samples above the critical LaAlO$_3$ thickness, and extract the depth dependence of both the orbital and electronic reconstructions near the buried interface. We find that the majority of the reconstruction phenomena are confined to within 2 unit cells of the interface, and we quantify how oxygen vacancies significantly affect the electronic system. Our results provide strong support for the existence of polarity induced electronic reconstruction, clearly separating its effects from those of oxygen vacancies. Heterojunction ; Delocalized electron ; Condensed matter physics ; Oxide ; Materials science ; Electron ; Electronic structure ; Superconductivity ; Interface (matter) ; Chemical physics ; Chemistry ; Physics Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics
Authors: Ziwei Qiu | Uri Vool | Assaf Hamo | Amir Yacoby
Source: npj Quantum Information (preprint, 2021-02-19)
Field: Materials Science — Materials Chemistry

Nuclear spin assisted magnetic field angle sensing Abstract Quantum sensing exploits the strong sensitivity of quantum systems to measure small external signals. The nitrogen-vacancy (NV) center in diamond is one of the most promising platforms for real-world quantum sensing applications, predominantly used as a magnetometer. However, its magnetic field sensitivity vanishes when a bias magnetic field acts perpendicular to the NV axis. Here, we introduce a different sensing strategy assisted by the nitrogen nuclear spin that uses the entanglement between the electron and nuclear spins to restore the magnetic field sensitivity. This, in turn, allows us to detect small changes in the magnetic field angle relative to the NV axis. Furthermore, based on the same underlying principle, we show that the NV coupling strength to magnetic noise, and hence its coherence time, exhibits a strong asymmetric angle dependence. This allows us to uncover the directional properties of the local magnetic environment and to realize maximal decoupling from anisotropic noise. Magnetometer ; Magnetic field ; Physics ; Quantum sensor ; Spins ; Nitrogen-vacancy center ; Condensed matter physics ; Spin (aerodynamics) ; Sensitivity (control systems) ; Quantum entanglement ; Quantum ; Quantum network ; Quantum mechanics ; Engineering Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Atomic and Subatomic Physics Research
Authors: Igor S. Коvalev | Leila К. Sadieva | Olga S. Taniya | V. M. Yurk | Артем С. Минин | Dmitry S. Kopchuk | Grigory V. Zyryanov | Evgeny N. Ulomsky | В. Л. Русинов | Valery N. Charushin | Олег Н. Чупахин
Source: AIP conference proceedings (article, 2021-01-01)
Field: Chemistry — Spectroscopy

Pyrene-based lipophilic/biphilic chemosensors for the fluorescence “turn-off” detection of nitroanalytes in aqueous media Two approaches towards “turn off” fluorescence detection of nitroanalytes (dinitro-ortho-cresol (DNOC), 2,4,6-trinitrotoluene (TNT) and Riamilovir (Triazavirin ®) are reported such as by tuning the chemosensors structure or by changing the environment. In both cases the great response was achieved with Stern-Volmer quenching constants (KSV) as high as 2.28–3.14 × 104 M−1 (for structure modification approach) and 4.67 × 105 M−1 (for changing of environment approach). Pyrene ; Fluorescence ; Turn (biochemistry) ; Aqueous medium ; Chemistry ; Aqueous solution ; Photochemistry ; Organic chemistry ; Optics ; Biochemistry Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Advanced biosensing and bioanalysis techniques
Authors: Kang Wei Goo | Wan‐Ting Chiu | Ayano Toriyabe | Masahiro Homma | Akira Umise | Masaki Tahara | Kenji Goto | Takumi Sannomiya | Hideki Hosoda
Source: Preprints.org (preprint, 2021-05-24)
Field: Materials Science — Materials Chemistry

Mechanical Properties Enhancement of the Au-Cu-Al Alloys via Phase Constitution Manipulation To enhance the mechanical properties (i.e. strength and elongation) of the face-centered cubic (fcc) &amp;alpha;-phase in the Au-Cu-Al system, this study focused on the introduction of the martensite phase (doubled B19 (DB19) crystal structure of Au2CuAl) via the manipulation of alloy compositions. Fundamental evaluations, such as microstructure observations, phase identifications, thermal analysis, tensile behavior examinations, and reflectance analysis have been conducted. The presence of fcc annealing twins was both observed in the optical microscope (OM) and the scanning electron microscope (SEM) images. Both the strength and elongation of the alloys were greatly promoted while the DB19 martensite phase was introduced into the alloys. Amongst all the prepared specimens, the 47Au41Cu12Al and the 44Au44Cu12Al alloys performed the optimized mechanical properties. The enhancement of strength and ductility in these 2 alloys was achieved while the stress plateau was observed during the tensile deformation. A plot of the ultimate tensile strength (UTS) against fracture strain was constructed to illustrate the effects of the introduction of the DB19 martensite phase on the mechanical properties of the alloys. Regardless of the manipulation of the alloy compositions and the introduction of the DB19 martensite phase, the reflectance stayed almost identical to pure Au. Materials science ; Martensite ; Ultimate tensile strength ; Microstructure ; Alloy ; Optical microscope ; Ductility (Earth science) ; Annealing (glass) ; Phase (matter) ; Elongation ; Composite material ; Scanning electron microscope ; Metallurgy ; Chemistry ; Creep Microstructure and mechanical properties ; Metallic Glasses and Amorphous Alloys ; Quasicrystal Structures and Properties
Authors: Martin Molkenthin | Werner M. Nau | Boris J. Nachtsheim
Source: ChemRxiv (preprint, 2021-04-28)
Field: Materials Science — Materials Chemistry

Efficient Hydro- and Organogelation by Minimalistic Diketopiperazines Containing a Highly Insoluble Aggregation Induced Emission Luminophore In this manuscript we describe a 2,5-diketopiperazine (DKP) which is further functionalized with a carbazol-luminophore. Gelation properties as well as optical properties of produced organo- and hydrogels based on this small molecule are described. Luminophore ; Diketopiperazines ; Aggregation-induced emission ; Molecule ; Chemistry ; Nanotechnology ; Materials science ; Chemical engineering ; Polymer science ; Organic chemistry ; Physics ; Engineering ; Fluorescence ; Optics ; Luminescence ; Optoelectronics Luminescence and Fluorescent Materials ; Chemical Synthesis and Reactions ; Supramolecular Self-Assembly in Materials
Authors: Muhammad Zubair | Stefanie Sandlöbes-Haut | Marta Lipińska-Chwałek | Maximilian A. Wollenweber | Christoffer Zehnder | Joachim Mayer | J.S. Gibson | Sandra Korte‐Kerzel
Source: arXiv (Cornell University) (preprint, 2021-08-30)
Field: Materials Science — Biomaterials

Co-deformation Between the Metallic Matrix and Intermetallic Phases in a Creep-Resistant Mg-3.68Al-3.8Ca Alloy The microstructure of Mg-Al-Ca alloys consists of a hard intra- and intergranular eutectic Laves phase network embedded in a soft $α$-Mg matrix. For such heterogeneous microstructures, the mechanical response and co-deformation of both phases under external load are not yet fully understood. We therefore used nano- and microindentation in combination with electron microscopy to study the deformation behaviour of an Mg-3.68Al-3.8Ca alloy. We found that the hardness of the Mg$_2$Ca phase was significantly larger than the $α$-Mg phase and stays constant within the measured temperature range. The strain rate sensitivity of the softer $α$-Mg phase and of the interfaces increased while activation volume decreased with temperature. The creep deformation of the Mg$_2$Ca Laves phase was significantly lower than the $α$-Mg phase at 170 $^{\circ}$C. Moreover, the deformation zone around and below microindents depends on the matrix orientation and is influenced by the presence of Laves phases. Most importantly, slip transfer from the $α$-Mg phase to the (Mg,Al)$_2$Ca Laves phase occurred, carried by the basal planes. Based on the observed orientation relationship and active slip systems, a slip transfer mechanism from the soft $α$-Mg phase to the hard Laves phase is proposed. Further, we present implications for future alloy design strategies. Laves phase ; Materials science ; Intermetallic ; Alloy ; Eutectic system ; Microstructure ; Creep ; Slip (aerodynamics) ; Phase (matter) ; Metallurgy ; Deformation mechanism ; Deformation (meteorology) ; Crystallography ; Composite material ; Thermodynamics ; Chemistry Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Metal and Thin Film Mechanics
Authors: Preeti Jain
Source:  (preprint, 2021-09-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Non-halogenated Imidazolium and Phosphonium-based Surface-Active Ionic Liquids as Electrolytes for Supercapacitors We report a comparative analysis of three novel non-halogenated surface-active ionic liquids (SAILs), which consist of a surface-active anion, 2-ethylhexyl sulfate ([EHS]-), and phosphonium or imidazolium cations: tetrabutylphosphonium ([P4,4,4,4]+), trihexyl(tetradecyl)phosphonium ([P6,6,6,14]+), and 1-methyl-3-hexylimidazolium ([C6C1Im]+). We explored thermal properties (degradation, melting and crystallisation temperatures) of these novel SAILs and their electrochemical properties (ionic conductivity and electrochemical potential window, ECW). These SAILs were tested as electrolytes in a multi-walled carbon nanotubes (MWCNTs)-based supercapacitor at various temperatures from 253 to 373 K and their electrochemical performance as a function of temperature was compared. We found that the supercapacitor cell with [C6C1Im][EHS] as an electrolyte has shown a higher specific capacitance (Celec in F g-1), a higher energy density (E in W h kg-1), and a higher power density (P in kW kg-1) as compared to the other studied SAILs, [P4,4,4,4][EHS], [P6,6,6,14][EHS] and [N8,8,8,8][EHS] (from previous our study) at a temperature range from 253 to 373 K. The supercapacitor with an MWCNT-based electrode and [C6C1Im][EHS], [P4,4,4,4][EHS] and [P6,6,6,14][EHS] as electrolytes showed a specific capacitance of 148, 90 and 47 F g-1 (at the scan rate of 2 mV s-1) with an energy density of 82, 50 and 26 W h kg-1 (at 2 mV s-1), respectively, all at 298 K. For latter three SAILs, the temperature effect can be seen by a two to three-fold increase in the specific capacitance of the cell and the energy density values: 290, 198 and 114 F g-1 (at 2 mV s-1) and 161, 110 and 63 Wh kg-1 (at 2 mV s-1), respectively, at 373 K. The solution resistance (Rs), charge transfer resistance (Rct), and equivalent series resistance (ESR) also decreased with an increase in temperature for all SAILs in this study. These new SAILs can potentially be used for high-temperature electrochemical applications, such as supercapacitors for high energy storage due to a reasonably high specific capacitance and enhanced energy and power density, and wider ECWs as compared to molecular organic and aqueous electrolytes. Specifically, [C6C1Im][EHS] and [P4,4,4,4][EHS], are the best candidates among other “EHS”-based SAILs in this and our previous study, as electrolytes in supercapacitors. Supercapacitor ; Phosphonium ; Ionic liquid ; Electrolyte ; Electrochemistry ; Capacitance ; Materials science ; Electrochemical window ; Ionic conductivity ; Chemical engineering ; Chemistry ; Analytical Chemistry (journal) ; Electrode ; Physical chemistry ; Polymer chemistry ; Organic chemistry ; Catalysis Supercapacitor Materials and Fabrication ; Ionic liquids properties and applications ; Electrochemical sensors and biosensors
Authors: Luca Cirillo | Adriana Rosaria Farina | Adriana Greco | Claudia Masselli | Federico Scarpa | Luca A. Tagliafico
Source: TECNICA ITALIANA-Italian Journal of Engineering Science (article, 2021-07-30)
Field: Materials Science — Materials Chemistry

Toward the First Italian Elastocaloric Device: Projecting and Developing Steps Nowadays about 20% of the worldwide energy consumption is attributable to refrigeration that is almost entirely based on vapor compression refrigeration. The elastocaloric refrigeration is being considered in the recent years as one of the most promising alternatives to vapour compression cooling technology. It is based on the latent heat associated with the transformation process of the martensitic phase, found in Shape Memory Alloys (SMA) when they are subjected to uniaxial stress cycles of loading and unloading. SMAs are characterized by the mechanical property of being able to return to the initial form once the uniaxial stress has been removed. Currently the prototypes of elastocaloric cooler developed in the world are less than ten units and they are not close to the industrialization and commercialization, yet. This contribution presents the design processes and the steps of development of the first Italian elastocaloric device: SSUSTAIN-EL. This research involves part of a bigger Italian project, called SUSSTAINEBLE, that involves three research institutes: University of Naples Federico II, University of Genoa and the National Research Council. The aim of research group is the developing of a demonstrative prototype of a continuously elastocaloric cooler, which can represent a fundamental step as "proof of concept". Refrigeration ; Vapor-compression refrigeration ; Commercialization ; Mechanical engineering ; Compression (physics) ; Stress (linguistics) ; Shape-memory alloy ; Refrigerant ; Materials science ; Gas compressor ; Engineering ; Composite material ; Political science ; Law Shape Memory Alloy Transformations ; Laser and Thermal Forming Techniques