jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohanraj Nandakumar | Sankaran Ramalingam | Subashini Nallusamy | Shriram S. Rangarajan
Source: Electronics (article, 2020-06-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Novel Efficacious Utilization of Fuzzy-Logic Controller-Based Two-Quadrant Operation of PMBLDC Motor Drive Systems for Multipass Hot-Steel Rolling Processes This study investigates the rough steel-rolling process, which requires repeated and rapid bidirectional hot-rolling operations and proposes a fuzzy-logic-controller-based brushless electric DC (BLDC) motor drive system for the same. We present a modeling of the hot-steel rough-rolling process using a set of metallurgical parameters and mechanical equations based on their operating conditions, specific features and characteristics, all obtained from actual data. The above equations and related parameters were modeled in MATLAB/Simulink schematic under variations in temperature and slab thickness corresponding using three different hot-rolled (HR) steel specimens. This led to the creation of a pair of speed and torque- profiles with alternate polarities for successive passes covering the entire rolling process for each steel specimen. A fuzzy logic controller utilized the above profiles on the motor shaft by incorporating speed and current feedback loops to attain reference speed and calculation of instantaneous stator currents of the BLDC motor with respective phase sequences, so as to satisfy the torque-profile. Simulation results showing the detailed performance of the drive system are presented. Further, experimental work on a BLD-motor-drive system is presented, along with loading arrangements and an arm controller embedded with control algorithm for the multi-loop feedback system used for the closed loop speed control. The efficacy of the new applications proposed in this study for the first time can be seen from the validation of the results from the BLDC motor with its fuzzy-based controller in terms of simulation and hardware, thereby serving to be an attractive alternative to conventional induction motor drive systems for steel rolling. Control theory (sociology) ; Torque ; Fuzzy logic ; Stator ; Controller (irrigation) ; Process (computing) ; MATLAB ; Computer science ; Electronic speed control ; Control engineering ; Engineering ; Mechanical engineering ; Control (management) ; Artificial intelligence Magnetic Properties and Applications ; Metallurgy and Material Forming ; Electric Motor Design and Analysis
Authors: Simeng Song | Yong Qian | Hui Wang | Yiming Zang | Gehao Sheng | Xiuchen Jiang
Source: Energies (article, 2020-08-07)
Field: Materials Science — Materials Chemistry

Partial Discharge Pattern Recognition Based on 3D Graphs of Phase Resolved Pulse Sequence Partial discharge (PD) is an important phenomenon that reflects the insulation condition of electrical equipment. In order to protect the safety of power grids, it is of significance to diagnose the type of insulation defects inside the equipment accurately and early through PD pattern recognition. In this article, phase resolved pulse sequence (PRPS) graphs in 3D were constructed by the PD pulse data of the gas-insulated switchgear (GIS) acquired, then the histogram of oriented gradient (HOG) features were extracted directly from the 3D PRPS graphs, and finally the attribute selective Naïve Bayes classifier was used to recognize the discharge pattern. In addition, this method was compared with two traditional methods, i.e., the statistical method and the grayscale gradient co-occurrence matrix method, from three aspects. The result shows that 3D PRPS graphs have different morphology characteristics in vision under different defects, and the similarity among different voltages applied is higher than among different defects, so it is reasonable to use them as the basis for PD pattern recognition. The contrast indicates that the HOG method not only has the highest accuracy with the least requirement for pretreatment and training, but it also has robustness when the voltage applied changes. Consequently, this method has the universality for PD pattern recognition that is based on 3D PRPS graphs. Partial discharge ; Switchgear ; Pattern recognition (psychology) ; Artificial intelligence ; Grayscale ; Histogram ; Computer science ; Naive Bayes classifier ; Voltage ; Computer vision ; Support vector machine ; Engineering ; Electrical engineering High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Geophysical Methods and Applications
Authors: Jayati Tripathi | B. Vasu | Ankita Dubey | Rama Subba Reddy Gorla | P. V. S. N. Murthy | O. Anwar Bég | P. Saikrishnan
Source: Nanoscience and Technology An International Journal (review, 2020-01-01)
Field: Materials Science — Biomaterials

A REVIEW ON RECENT ADVANCEMENTS IN THE HEMODYNAMICS OF NANO-DRUG DELIVERY SYSTEMS Social cues, such as eye gaze and pointing fingers, can increase the prioritisation of specific locations for cognitive processing. A previous study using a manual reaching task showed that, although both gaze and pointing cues altered target prioritisation (reaction times [RTs]), only pointing cues affected action execution (trajectory deviations). These differential effects of gaze and pointing cues on action execution could be because the gaze cue was conveyed through a disembodied head; hence, the model lacked the potential for a body part (i.e., hands) to interact with the target. In the present study, the image of a male gaze model, whose gaze direction coincided with two potential target locations, was centrally presented. The model either had his arms and hands extended underneath the potential target locations, indicating the potential to act on the targets (Experiment 1), or had his arms crossed in front of his chest, indicating the absence of potential to act (Experiment 2). Participants reached to a target that followed a nonpredictive gaze cue at one of three stimulus onset asynchronies. RTs and reach trajectories of the movements to cued and uncued targets were analysed. RTs showed a facilitation effect for both experiments, whereas trajectory analysis revealed facilitatory and inhibitory effects, but only in Experiment 1 when the model could potentially act on the targets. The results of this study suggested that when the gaze model had the potential to interact with the cued target location, the model's gaze affected not only target prioritisation but also movement execution. Drug delivery ; Medicine ; Nanomedicine ; Drug ; Intensive care medicine ; Pharmacology ; Biomedical engineering ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Computational Drug Discovery Methods
Authors: Li Li | Xiaojie Guo | Jin Yang | Chaogui Chen | Abdullah M. Asiri | Hadi M. Marwani | Qingzhou Zhao | Sheng Guo-dong
Source: Journal of Inorganic Materials (article, 2020-01-01)
Field: Chemistry — Organic Chemistry

Distinguished Cd(II) Capture with Rapid and Superior Ability using Porous Hexagonal Boron Nitride: Kinetic and Thermodynamic Aspects In present work, a systematical and comprehensive understanding for the adsorption of Cd(II) on porous hexagonal boron nitride (p-BN) was studied. The chemical compositions, morphology and surface functional groups of p-BN before and after adsorption were characterized by SEM, HRTEM, BET, XRD, and FT-IR. The effects of pH, adsorbent dosage, contact time and temperature on Cd(II) adsorption were investigated. The maximum adsorption capacity for Cd(II) achieves 184 mgg -1 at pH 7.0 and 313 K. The kinetic data fitted well with pseudo-second-order model and intra-particle diffusion model, indicating that the adsorption is mainly controlled by chemisorption, and the rate-limiting step is the molecular diffusion. The adsorption isotherms are in accordance with Freundlich and Langmuir model respectively, suggesting Cd(II) adsorbed on the heterogeneous surface through multilayer and monolayer adsorption. The thermodynamic parameters are calculated to confirm the spontaneous and endothermic process of Cd(II) sorption. Spectroscopic results from XPS imply that p-BN adsorbent had substantial functional groups and bonding sites, which is propitious to uptake Cd(II) from wastewater. These results revealed that p-BN is a promising candidate for Cd(II) scavenging. Materials science ; Hexagonal boron nitride ; Kinetic energy ; Boron nitride ; Porosity ; Boron ; Hexagonal crystal system ; Nitride ; Chemical engineering ; Nanotechnology ; Crystallography ; Composite material ; Organic chemistry ; Chemistry Nanomaterials for catalytic reactions ; Extraction and Separation Processes ; Graphene research and applications
Authors: Naser Al Amery | Hussein Rasool Abid | Shaobin Wang | Shaomin Liu
Source: Journal of Applied Materials and Technology (article, 2020-11-19)
Field: Chemistry — Inorganic Chemistry

Removal of methylene blue (MB) by bimetallic- metal organic framework In this study, three improved versions of UiO-66 metal organic frameworks (MOFs) were synthesised successfully: Different ratios of Ca+2/Zr+4 were used to synthesise UiO-66, UiO-66-10%Ca and UiO-66-30%Ca. Batch adsorption experiments were achieved to remove MB from wastewater by UiO-66-Ca. UiO-66-10%Ca exhibited the highest adsorption capacity with maximum MB adsorption capacity of 15 mg. g–1 in UiO-66-30%Ca while UiO-66 demonstrated lower MB loading. Langmuir and Freundlich models have been employed to describe isotherms. A kinetics study indicated pseudo first-order and pseudo second-order equations. In addition, an intraparticle diffusion model was utilised. The results presented here may facilitate the further enhancement of UiO-66 MOFs and advance the synthesis of multimetal MOFs in future research. Bimetallic strip ; Adsorption ; Metal-organic framework ; Freundlich equation ; Methylene blue ; Langmuir ; Chemistry ; Kinetics ; Diffusion ; Metal ; Wastewater ; Chemical engineering ; Inorganic chemistry ; Nuclear chemistry ; Materials science ; Environmental engineering ; Organic chemistry ; Thermodynamics ; Catalysis ; Environmental science Metal-Organic Frameworks: Synthesis and Applications ; Dendrimers and Hyperbranched Polymers ; Adsorption and biosorption for pollutant removal
Authors: Andreas Drexler | Shuang He | V. G. Razumovskiy | Lorenz Romaner | Werner Ecker | Reinhard Pıppan
Source: Philosophical Magazine Letters (article, 2020-09-09)
Field: Materials Science — Metals and Alloys

Verification of the generalised chemical potential for stress-driven hydrogen diffusion in nickel Hydrogen embrittlement leads to time-dependent failure of structural components. Hydrogen absorption and diffusion contribute to the time dependency and are often treated by thermodynamic diffusion models, which consider the ideal-solution approach and spherical distortion of the lattice. The interaction of spherical lattice distortions with hydrostatic stress fields causes stress-driven hydrogen diffusion. In the present work, ab-initio calculations are used to verify and parametrise the stress dependency of the generalised chemical potential for hydrogen in nickel. Therefore, the partial molar volume for hydrogen in nickel is introduced. The assumption of linear elasticity and a linear dependency on the hydrostatic stress is sufficient to describe hydrogen diffusion on the macroscopic and mesoscopic scale. The work is concluded with hydrogen diffusion simulations, which reveal a minor influence of stress-driven hydrogen diffusion on the overall hydrogen distribution in nickel. Hydrogen ; Hydrogen embrittlement ; Hydrostatic stress ; Thermodynamics ; Nickel ; Materials science ; Diffusion ; Chemistry ; Metallurgy ; Physics ; Finite element method Hydrogen embrittlement and corrosion behaviors in metals ; Nuclear Materials and Properties ; Corrosion Behavior and Inhibition
Authors: Mohammad Mahdi Khataei | Yadollah Yamini | Hamid Asiabi | Maryam Shamsayei
Source: Journal of Environmental Health Science and Engineering (article, 2020-10-27)
Field: Materials Science — Materials Chemistry

Covalent organic framework and montomorillonite nanocomposite as advanced adsorbent: synthesis, characterization, and application in simultaneous adsorption of cationic and anionic dyes Cationic polymerization ; Adsorption ; Nanocomposite ; Covalent bond ; Characterization (materials science) ; Covalent organic framework ; Chemistry ; Chemical engineering ; Polymer chemistry ; Materials science ; Organic chemistry ; Nanotechnology Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal
Authors: Maryam Parhizkar | Philip James Thomas Reardon | A. H. Harker | Richard J. Browning | Eleanor Stride | RB Pedley | Jonathan C. Knowles | Mohan Edirisinghe
Source: Nanoscale Advances (article, 2020-01-01)
Field: Materials Science — Biomaterials

Enhanced efficacy in drug-resistant cancer cells through synergistic nanoparticle mediated delivery of cisplatin and decitabine There are several limitations with monodrug cancer therapy, including poor bioavailability, rapid clearance and drug resistance. Combination therapy addresses these by exploiting synergism between different drugs against cancer cells. In particular, the combination of epigenetic therapies with conventional chemotherapeutic agents can improve the initial tumour response and overcome acquired drug resistance. Co-encapsulation of multiple therapeutic agents into a single polymeric nanoparticle is one of the many approaches taken to enhance therapeutic effect and improve the pharmacokinetic profile. In this study, different types of poly(lactic-<i>co</i>-glycolic acid) (PLGA) nanoparticles (NPs), matrix and core-shell (CS), were investigated for simultaneous encapsulation of a demethylating drug, decitabine, and a potent anticancer agent, cisplatin. It was shown that by altering the configuration of the CS structure, the release profile could be tuned. In order to investigate whether this could enhance the anticancer effect compared to cisplatin, human ovarian carcinoma cell line (A2780) and its cisplatin resistant variant (A2780cis) were exposed to free cisplatin and the CS-NPs. A better response was obtained in both cell lines (11% and 51% viability of A2780 and A2780cis, respectively) using CS-NPs than cisplatin alone (27%, 82% viability of A2780 and A2780cis, respectively) or in combination with decitabine (22%, 96% viability of A2780 and A2780cis, respectively) at equivalent doses (10 μM). Decitabine ; Drug ; Cisplatin ; Pharmacology ; Drug resistance ; Bioavailability ; Combination therapy ; Drug delivery ; Medicine ; Cancer therapy ; Cancer cell ; Cancer ; Chemotherapy ; Chemistry ; Nanotechnology ; Materials science ; Internal medicine ; Biology ; DNA methylation Nanoparticle-Based Drug Delivery ; Histone Deacetylase Inhibitors Research ; Graphene and Nanomaterials Applications
Authors: Qian Wang | Liping Liang | Fenfen Xi | Gangliang Tian | Qiaole Mao | Xu Meng
Source: Advances in Materials Science and Engineering (article, 2020-01-01)
Field: Chemistry — Analytical Chemistry

Adsorption of Azo Dye Acid Red 73 onto Rice Wine Lees: Adsorption Kinetics and Isotherms The adsorption properties of rice wine lees for acid red 73 in aqueous solution were studied in order to explore the recyclability of rice wine lees and to solve the pollution of dye‐contaminated wastewater. Hence, the azo dye acid red 73 was selected as the model pollutant. Effects of parameters including pH, rice wine lees dosage, and initial concentration of acid red 73 on the adsorption activity were investigated to determine the optimal conditions for removal of acid red 73. The experimental results showed that acid red 73 removal by rice wine lees decreased with increasing pH and initial concentration of acid red 73 and increased with increasing rice wine lees dosage. The adsorption reaction was consistent with pseudo‐first‐order kinetic models, and the adsorption process was physisorption. The adsorption isotherm could be described well with the Freundlich equation, and the maximum adsorption capacity was 18.74 mg·g −1 . Lees ; Adsorption ; Wine ; Kinetics ; Materials science ; Chemical engineering ; Organic chemistry ; Food science ; Chemistry Dye analysis and toxicity ; Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal
Authors: Thorsten Roth | Lukas Uhlenbrock | Jochen Strube
Source: Processes (article, 2020-05-16)
Field: Chemistry — Analytical Chemistry

Distinct and Quantitative Validation for Predictive Process Modelling in Steam Distillation of Caraway Fruits and Lavender Flower Following a Quality-By-Design (QbD) Approach A quality by design (QbD) approach as part of process development in the regulated, pharmaceutical industry requires many experiments. Due to the large number, process development is time consuming and cost intensive. A key to modern process development to reduce the number of required experiments is a predictive simulation with a validated physico-chemical model. In order to expand the process expertise of steam distillation through maximum information, a model development workflow is used in this paper, which focuses on implementation, verification, parametrization and validation of a physico-chemical model. Process robustness and sensitivity of target values can be determined from the developed general model and design of experiments with statistical evaluations. The model validation is exemplified by two different types of plant systems, caraway fruits (Carum Carvi) and lavender flowers (Lavandula). Quality by Design ; Computer science ; Process modeling ; Workflow ; Process (computing) ; Robustness (evolution) ; Process validation ; Process engineering ; Biochemical engineering ; Work in process ; Engineering ; Chemistry ; Mathematics ; Verification and validation ; Statistics Spectroscopy and Chemometric Analyses ; Computational Drug Discovery Methods ; Essential Oils and Antimicrobial Activity
Authors: Peng Du | Qianli Chen | Zhijun Fan | Huizhu Pan | Frederick G. Haibach | Maria A. Gomez | Artur Braun
Source: Communications Physics (article, 2020-11-04)
Field: Materials Science — Materials Chemistry

Cooperative origin of proton pair diffusivity in yttrium substituted barium zirconate Abstract Proton conduction is an important property for fuel cell electrolytes. The search for molecular details on proton transport is an ongoing quest. Here, we show that in hydrated yttrium doped barium zirconate using X-ray and neutron diffraction that protons tend to localize near the dopant yttrium as a conjugated superstructure. The proton jump time measured using quasi-elastic neutron scattering follows the Holstein-Samgin polaron model, revealing that proton hopping is weakly coupled to the high-frequency O-H stretching motion, but strongly coupled to low-frequency lattice phonons. The ratio of the proton polaron effective mass, m * , and the proton mass is m * / m = 2, when coupled to the Zr-O stretching mode, giving experimental evidence of proton pairing in perovskites, as a result of proton-phonon coupling. Possible pathways of a proton pair are provided through Nudge Elastic Band calculations. The pairing of protons, when jumping, is discussed in context of a cooperative protonic charge transport process. Proton ; Polaron ; Yttrium ; Proton transport ; Materials science ; Neutron diffraction ; Phonon ; Atomic physics ; Condensed matter physics ; Molecular physics ; Chemistry ; Chemical physics ; Crystal structure ; Physics ; Crystallography ; Nuclear physics Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Solid-state spectroscopy and crystallography
Authors: Kelly Etherson | Claire Dunn | W. Stephen Matthews | Henrik Pamelund | Camille Barragat | Natalie Sanderson | Toshiko Izumi | Claudia da Costa Mathews | Gavin Halbert | Clive Wilson | Mark McAllister | James Mann | Jesper Østergaard | James Butler | Ibrahim Khadra
Source: European Journal of Pharmaceutics and Biopharmaceutics (article, 2020-02-13)
Field: Materials Science — Materials Chemistry

An interlaboratory investigation of intrinsic dissolution rate determination using surface dissolution Dissolution ; Pharmaceutical technology ; Chemistry ; Chromatography ; Mineralogy ; Analytical Chemistry (journal) ; Physical chemistry Crystallization and Solubility Studies ; Drug Solubulity and Delivery Systems ; X-ray Diffraction in Crystallography
Authors: A. von Reppert | Maximilian Mattern | Jan‐Etienne Pudell | Steffen Peer Zeuschner | K. Dumesnil | Matias Bargheer
Source: Structural Dynamics (article, 2020-03-01)
Field: Materials Science — Materials Chemistry

Unconventional picosecond strain pulses resulting from the saturation of magnetic stress within a photoexcited rare earth layer Optical excitation of spin-ordered rare earth metals triggers a complex response of the crystal lattice since expansive stresses from electron and phonon excitations compete with a contractive stress induced by spin disorder. Using ultrafast x-ray diffraction experiments, we study the layer specific strain response of a dysprosium film within a metallic heterostructure upon femtosecond laser-excitation. The elastic and diffusive transport of energy to an adjacent, non-excited detection layer clearly separates the contributions of strain pulses and thermal excitations in the time domain. We find that energy transfer processes to magnetic excitations significantly modify the observed conventional bipolar strain wave into a unipolar pulse. By modeling the spin system as a saturable energy reservoir that generates substantial contractive stress on ultrafast timescales, we can reproduce the observed strain response and estimate the time- and space dependent magnetic stress. The saturation of the magnetic stress contribution yields a non-monotonous total stress within the nanolayer, which leads to unconventional picosecond strain pulses. Picosecond ; Excitation ; Femtosecond ; Saturation (graph theory) ; Materials science ; Excited state ; Condensed matter physics ; Ultrashort pulse ; Phonon ; Laser ; Optics ; Atomic physics ; Physics Thermal Expansion and Ionic Conductivity ; High-pressure geophysics and materials ; Magnetic and transport properties of perovskites and related materials
Authors: Pierre-Antoine Geslin | Chih‐Hung Chen | Amirhossein Molavi Tabrizi | Alain Karma
Source: Acta Materialia (article, 2020-10-15)
Field: Materials Science — Materials Chemistry

Dendritic needle network modeling of the Columnar-to-Equiaxed transition. Part I: two dimensional formulation and comparison with theory Equiaxed crystals ; Materials science ; Dendrite (mathematics) ; Statistical physics ; Kinetics ; Network model ; Thermodynamics ; Mechanics ; Chemical physics ; Microstructure ; Metallurgy ; Computer science ; Geometry ; Mathematics ; Classical mechanics ; Physics ; Artificial intelligence Solidification and crystal growth phenomena ; Aluminum Alloy Microstructure Properties ; Metallurgy and Material Forming