jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Stanislav Južnič
Source: Acta Baltica Historiae et Philosophiae Scientiarum (article, 2018-06-10)
Field: Chemistry — Physical and Theoretical Chemistry

Divisible Atoms Are Not Atoms the aim of the article is to help change the self-contradictory term 'atom'. in this project, the support of modern chinese scientists is expected. the contributions of chinese to some researches in sciences are focused on finding out the preferences and most frequent stages of (European) paradigms involved in chinese networks. some predictions of future interests of chinese sciences are provided. the chinese holistic confucian distrust in atoms is discussed as a possible new paradigm which could rename atoms as the destructible divisible entities of future physics, and with more difficulties also of chemistry. Physics History and advancements in chemistry ; Quantum Mechanics and Applications
Authors: Allison Enright | Chris T. Parsons | M. Glamoclija
Source:  (preprint, 2018-05-16)
Field: Chemistry — Electrochemistry

Metabolite cycling indicated by long-range correlation in a sediment bioreactor mixed microbial community Geophysical surveys add value to biogeochemical studies because of their ability to characterize systems remotely, and their precise time resolution. One limitation, however, is their lack of biogeochemical process specificity. Here, electrochemical time series from an oxic-anoxic cyclical bioreactor experiment were reanalyzed with detrended fluctuation analysis (DFA) to distinguish dominant biogeochemical processes. Measurements of EH, pH, dissolved oxygen (DO) were recorded every 20 minutes for 74 days. The time series were divided by geochemical environment (aerobic respiration, NO3- reduction, mixed Fe(III), Mn(IV), SO42- reduction, and anoxic-oxic transition), and analyzed for correlation strength using DFA. Correlation strength varied systematically by environment over five oxic-anoxic cycles. This repetition makes it clear that electrode fluctuations are not random, nor are they noise. In fact, electrode fluctuations are a system-specific measurement of dominant geochemical conditions. The results of this study in a well-constrained environment with a complex microbial community support the potential to use galvanic and electrochemical approaches to remediation as a viable, cost-effective, and simple long-term monitoring strategy. The information provided by time series analysis requires no special sensors or additional data collection, just a short computational analysis for new, valuable information about ongoing geochemical reactions. This approach could be valuable in any application where remote, long-term monitoring of ongoing biogeochemical processes is desirable, such as agriculture, bioreactors, or in long-term remediation and monitoring programs where inexpensive, consistent data sets could provide valuable insight into degradation and environmental stability. Biogeochemical cycle ; Anoxic waters ; Environmental science ; Environmental remediation ; Sediment ; Cycling ; Environmental chemistry ; Soil science ; Chemistry ; Contamination ; Ecology ; Geology ; Biology Electrochemical Analysis and Applications
Authors: 敬之 本間 | 康博 福中 | 雅宏 國本 | ジギー ヴォダルツ | Takayuki Homma | Yasuhiro Fukunaka | Masahiro Kunimoto | Siggi Wodarz
Source: Institutional Repositories DataBase (IRDB) (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Review Article---Gravitational Effects to Electrochemical Interfacial Phenomena during Charging/Discharging Operation-----Modeling Study with Cu-Electrodes Symmetry Cell----- Space Utilization Research (January 15-16, 2018. Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency(JAXA)(ISAS)), Sagamihara, Kanagawa Japan Aerospace ; Space (punctuation) ; Symmetry (geometry) ; Astronautics ; Electrochemistry Silicone and Siloxane Chemistry ; Space Satellite Systems and Control ; Ionosphere and magnetosphere dynamics
Authors: Hiroyuki Kagami
Source:  (article, 2018-09-11)
Field: Materials Science — Polymers and Plastics

A mathematical model of spray drying granulation process in formulation In this study, we apply the drying model of polymer solution coated on a flat substrate to the spray drying granulation process in formulation. In order to apply the former model to the drying of this spherical object, we consider this spherical object to be a stack of solution films applied on the spherical shell and discuss the drying process of each solution film. As a result, we see that the smaller the radius of curvature of the droplet, the more the fine particles tend to be unevenly distributed on the surface of the droplets during drying. Keywords: model, numerical simulation, spray drying granulation, spherical, droplets Granulation ; Spray drying ; Materials science ; Stack (abstract data type) ; Spherical shell ; Curvature ; Process (computing) ; RADIUS ; Radius of curvature ; Mechanics ; Shell (structure) ; Composite material ; Chemical engineering ; Mathematics ; Computer science ; Geometry ; Mean curvature ; Physics ; Engineering Textile materials and evaluations
Authors: Michael Reyes
Source: eScholarship (California Digital Library) (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Multilayer Interface Tracking Model of Zircaloy Corrosion Under Irradiation A one dimensional numerical model is presented to predict oxide scale growth and failure in zirconium clad exposed to water in out-of-pile as well as in-pile conditions. A Stefan model coupled to diffusion kinetics tracks the interfaces between the two oxide sublayers formed on top of the metal clad. The model involves a temperature dependence to account for the thermal gradient inside the clad. A mechanical failure criterion incorporates the accumulation of compressive stresses in the oxide near the metal interface. In Chapter 2, the results of oxygen diffusion spanning the clad, time-dependent oxide formation and stress induced oxide fragmentation are presented. The results show that the oxide grows as the cubic root of time due to a charge distribution near the oxide interface. Alloying is capable of suppressing this charge distribution which accounts for square root growth in certain Zr alloys. A sensitivity study has shown that Ã¯Â¿Â½ 15% variations on relevant model parameters produce Ã¯Â¿Â½ 5% changes in model predictions.\t\t In Chapter 3, the oxidation model adds the effect of radiation enhanced diffusion (RED). The RED assumes a linear formulation for low dose rates due to defect recombination while it assumes a quadratic formulation for high damage rates due because of defect annihilation. The results have found that the corrosion is accelerated and the oxide growth rate increases fivefold as a function of dose rate.\t In Chapter 4, the effects of hydride formation are incorporated to the oxidation model. The hydride extension is coupled to the oxidation interface tracking model to follow hydrogen diffusion in the oxide and the metal. The terminal solid solubility for precipitation (TSSP) criterion accounts for hydride growth since hydrogen diffusion in the oxide is the rate-limiting step. The flux boundary condition in the water-oxide interface is incorporated to account for the ability of the oxide to impede hydrogen diffusion. This set of results found that hydride formation is possible above the TSSP while hydride growth is instantaneous in the metal. A desorption analysis has shown that effect of hydrogen resorption is minimal for hydride nucleation. Oxide ; Materials science ; Diffusion ; Corrosion ; Zirconium alloy ; Metal ; Stress (linguistics) ; Metallurgy ; Composite material ; Zirconium ; Thermodynamics ; Physics Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Fusion materials and technologies
Authors: 昌也 松木
Source: Kyushu University Institutional Repository (QIR) (Kyushu University) (article, 2018-03-20)
Field: Chemistry — Spectroscopy

Studies on the Condensed Chiral Ionic Systems Chemistry ; Ionic bonding ; Ion ; Organic chemistry Molecular spectroscopy and chirality ; Chemical Thermodynamics and Molecular Structure ; Thermodynamic properties of mixtures
Authors: Ravi Agarwal
Source: IDEALS (University of Illinois Urbana-Champaign) (article, 2018-05-16)
Field: Materials Science — Biomaterials

Solute transport in magnesium and their uncertainty quantification using density functional theory and green function approach Predictive control of alloy processing requires an accurate knowledge of the thermodynamic and the kinetic information of the system for microstructure simulation. Phenomena such as solute segregation or growth of precipitates occur regularly during alloy processing which involves transport or diffusion of solutes. We investigate interstitial and vacancy-mediated solute transport in the hexagonal close-packed Mg. We utilize density functional theory calculations to determine the energies of interstitials and solute-vacancy configurations, which inform our diffusion model. The diffusion of light elemental solutes B, C, N, and O is investigated by determining their stable interstitial sites and the interpenetrating network formed by these sites. We employ the elastodiffusion tensor to determine the effect of strains on diffusion and find that B, C, and N diffusivity increases with volumetric crystal expansion, while O diffusivity decreases. The vacancy-mediated solute diffusion requires the jump network of vacancy near and away from the solute but the existing diffusion models oversimplify this jump network, severely affecting the accuracy of the transport coefficients. We identify all the symmetry-unique vacancy jumps in the Mg lattice and use our Green function approach to generate the transport database for 61 solutes. Our predictions of solute diffusion coefficients agree well with the available experimental measurements. We also study drag ratios which quantify the drag of solutes by vacancies, and the ring network topologies elucidate their mechanisms. We develop a Bayesian framework to quantify uncertainties in transport coefficients and use it to study uncertainties in transport coefficients due to approximate treatment of electronic exchange and correlation in DFT computed energies. Magnesium ; Function (biology) ; Density functional theory ; Statistical physics ; Mathematics ; Biological system ; Econometrics ; Physics ; Chemistry ; Computational chemistry ; Biology Magnesium Alloys: Properties and Applications ; Hydrogen Storage and Materials ; Magnesium Oxide Properties and Applications
Authors: Bibin Jose | Dhiraj Nandyala | Thomas Cubaud | Carlos E. Colosqui
Source: Scientific Reports (preprint, 2018-09-17)
Field: Materials Science — Materials Chemistry

Physical ageing of spreading droplets in a viscous ambient phase In this work, we study the spontaneous spreading of water droplets immersed in oil and report an unexpectedly slow kinetic regime not described by previous spreading models. We can quantitatively describe the observed regime crossover and spreading rate in the late kinetic regime with an analytical model considering the presence of periodic metastable states induced by nanoscale topographic features (characteristic area ~4 nm<sup>2</sup>, height ~1 nm) observed via atomic force microscopy. The analytical model proposed in this work reveals that certain combinations of droplet volume and nanoscale topographic parameters can significantly hinder or promote wetting processes such as spreading, wicking, and imbibition. Metastability ; Materials science ; Kinetic energy ; Nanoscopic scale ; Wetting ; Chemical physics ; Work (physics) ; Phase (matter) ; Capillary action ; Mechanics ; Nanotechnology ; Thermodynamics ; Composite material ; Chemistry ; Physics ; Classical mechanics Pickering emulsions and particle stabilization ; Surfactants and Colloidal Systems ; Material Dynamics and Properties
Authors: Куркин Евгений Игоревич | Спирина Мария Олеговна | Шапошников Сергей Николаевич | Макурин Николай Михайлович
Source:  (article, 2018-01-01)
Field: Materials Science — General Materials Science

Применение многоуровневого подхода при проектировании пространственных конструкций из короткоармированных композитов В работе представлена методика проектирования трехмерных пространственно-нагруженных конструкций аэрокосмического назначения из короткоармированных композиционных материалов. Силовая схема конструкции получена с помощью топологической оптимизации. Проведен учет технологических ограничений, накладываемых изготовлением изделия с помощью литья. Представлено проектирование литьевой оснастки и доработки конструкции с помощью параметрической оптимизации. Поверочный расчет напряженно-деформированного состояния проведен в ANSYS Workbench с подключением Digimat CAE для учета анизотропии свойств материала в каждом элементе сетки. Computer science Material Properties and Applications ; Polymer Science and Applications ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry
Authors: Tarachand Nargawe | Avinash Kumar | Jayesh Bhatt | Rakshit Ameta | Suresh C. Ameta | C Kuo | C Wu | J Wu | Y Yao | F Xu | M Chen | Z Xu | Z Zhu | B Royer | N Cardoso | E Lima | T Macedo | C Airoldi | D Brookstein | R De Lima | A Bazo | D Salvadori | C Rech | D Oliveira | M Dehghani | A Mesdaghinia | S Nasseri | A Mahvi | K Azam | P Carneiro | G Umbuzeiro | M Zanoni | L Ji | G Wang | C.-P Zeng | C.-G Yang | Q.-Y Niu | W.-J Niu | Y Zhou | Liang | J Jaafari | A Alghasi | G Porkar | M Sulak | C Yatmaz | C Eng | T Siew | T Sie | E Guibal | J Roussy | W Zhao | Z Wu | D Wang | K Dutta | S Mukhopadhyaya | S Bhattacharjee | B Chaudhuri | G Capar | U Yetis | L Yilmaz | C Liu | H Chiu | S Suen | K Chu | M Muruganandham | M Swaminathan | R Lisi | G Lazzara | S Milioto | N Muratore | X.-H Xu | M.-L Li | Y Yuan | X Wang | H Lin | G Crini | M Trojanowicz | A Naghizadeh | S Nazmara
Source: Asian journal of biochemical and pharmaceutical research (article, 2018-09-30)
Field: Chemistry — Organic Chemistry

Adsorption of Reactive Basic Fuchsine Dye from Aqueous Solution by Multiwalled Carbon Nanotubes/Montmorillonite Composite The feasibility for removal of basic fuchsine dye from aqueous solutions using multiwalled carbon nanotubes (MWCNTs) and montmorillonite was examined. Effect of parameters like pH, concentration of dye and amount of composite was observed to achieve the optimum adsorption. Adsorption isotherms and kinetics were studied for this dye on to carbon nanotubes-MMT composite. Thermodynamics studies were carried out to determine activation energy, feasibility and spontaneity of the adsorption process. Adsorption ; Composite number ; Aqueous solution ; Montmorillonite ; Carbon nanotube ; Chemical engineering ; Materials science ; Chemistry ; Composite material ; Organic chemistry Synthesis of Tetrazole Derivatives
Authors: João P. K. Abal
Source: Lume (Universidade Federal do Rio Grande do Sul) (article, 2018-01-01)
Field: Materials Science — Biomaterials

Estudo de viabilidade de membranas à base de nanoestruturas para dessalinização da água Neste trabalho fora analisado o potencial de otimização de um sistema de osmose reversa a partir do aumento da permeabilidade da membrana. Por meio do melhoramento em uma ordem de grandeza na permeabilidade, fora reportado a possibilidade de redução de até 15% (SWRO - água marinha) e 24% (BWRO - água salobra) no custo energético da planta ou de 60% (SWRO) a 68% (BWRO) no número de vasos de pressão necessários para uma mesma produção de água filtrada. Em paralelo, estudos computacionais e experimentais recentes demonstram que uma nova descoberta científica pode levar ao aprimoramento do processo: o efeito do superfluxo da água quando confinada em nanotubos de carbono, nanoporos de grafeno e dissulfeto de molibdênio. As membranas nanoestruturadas reportadas possuem permeabilidades específicas muito superiores as membranas de osmose reversa convencionais e geram novas oportunidades para a redução dos custos de operação de dessalinização. A estrutura de multicamadas de folhas de MoS2 e grafeno oxidado se anunciam como as mais promissoras constituintes dessa membrana. Environmental science Electrospun Nanofibers in Biomedical Applications
Authors: Iman Saefuloh | Hadi Wahyudi | Erni Listijorini | Ipick Setiawan
Source: Journals & Books Hosting (International Knowledge Sharing Platform) (article, 2018-01-01)
Field: Chemistry — Organic Chemistry

Kinetic Study of Drying and Oil Intake During Deep-Fat Vacuum Frying of Blanched Snake Fruit Slices In this work, an experimental study of deep-fat vacuum frying of pre-treated original fruit from South-East Asian, i.e., snake fruit, is conducted. Then the kinetics of drying and oil intake under vacuum frying conditions are investigated by using constant effective diffusivity of water and logistic oil content models. Its comparison to those on atmospheric condition based on the thermal-driven concept is also discussed. It is demonstrated that the constant effective water diffusion and logistic oil content models are fitted very well with the experimental data. The effective diffusivity increases with the increase of oil temperature under vacuum condition and its values are smaller than those under atmospheric frying. On the other hand, the specific rate of oil content (k) has no specific trend. Moreover, the specific rates of oil content for atmospheric conditions are larger than those corresponding values for vacuum conditions. Keywords: Deep-fat, vacuum frying, oil temperature, drying rate, oil absorption, snake fruit chips Thermal diffusivity ; Chemistry ; Diffusion ; Food science ; Reaction rate constant ; Pulp and paper industry ; Thermodynamics ; Kinetics Edible Oils Quality and Analysis ; Fermentation and Sensory Analysis ; Essential Oils and Antimicrobial Activity
Authors: Sergij Bobyr
Source: Juniper Online Journal Material Science (article, 2018-04-10)
Field: Materials Science — Materials Chemistry

Development of Diffusion Models of Solid-Phase Transformations in Iron-Carbon Alloys Diffusion ; Phase (matter) ; Carbon fibers ; Materials science ; Metallurgy ; Thermodynamics ; Chemistry ; Physics ; Composite material Material Properties and Failure Mechanisms ; Metal Alloys Wear and Properties ; Microstructure and Mechanical Properties of Steels
Authors: Sergij Bobyr
Source: Juniper Online Journal Material Science (article, 2018-04-10)
Field: Materials Science — Materials Chemistry

Development of Diffusion Models of Solid-Phase Transformations in Iron-Carbon Alloys Diffusion ; Phase (matter) ; Materials science ; Carbon fibers ; Metallurgy ; Thermodynamics ; Chemistry ; Composite material ; Physics ; Organic chemistry Material Properties and Failure Mechanisms ; Metal Alloys Wear and Properties ; Microstructure and Mechanical Properties of Steels
Authors: Sara Garti | Jonathan Dumazert | Romain Coulon | P. Filliatre | C. Jammes
Source:  (article, 2018-11-01)
Field: Materials Science — Materials Chemistry

A new model to predict Fission Product diffusion &amp; release in (Pu,U)O<sub>2</sub> matrix for SFR clad failure detection This work aims at proposing ways to robustly predict gaseous fission product behavior in fast spectrum and subsequently improve the nuclear instrumentation dedicated to clad failure detection. The goal is, first to estimate concentrations and expected activities in the fuel at any time and second, the fraction released through the clad when a failure takes place. Nuclear fission product ; Fission products ; Nuclear engineering ; Product (mathematics) ; Fission ; Diffusion ; Matrix (chemical analysis) ; Fraction (chemistry) ; Instrumentation (computer programming) ; Materials science ; Reliability engineering ; Chemistry ; Nuclear physics ; Computer science ; Radiochemistry ; Physics ; Engineering ; Chromatography ; Thermodynamics ; Mathematics ; Neutron Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear Physics and Applications
Authors: Yi Zheng
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2018-12-19)
Field: Materials Science — Materials Chemistry

Modélisation compacte multi-échelle de nano-transistors à base de Carbone Among emerging carbon materials, graphene has rapidly become an ideal candidate for nano-electronics. In this context, different methods have been proposed to transform its electric properties and remove the Dirac degeneracy point, leading to application to nano-transistors. In this thesis we apply a semi-analytical compact model to study two kinds of graphene-based nanotransistors: nanoribbon graphene transistor and nanomesh transistor. A tight-binding model is used to determine analytical expressions for the energy bands of a graphene nanoribbon. Comparisons are shown with ab-initio approaches and with measurements done on larger-scale transistors of the same kind. In the context of flexible electronics, mechanical stresses on circuits and subsequent geometric deformations of graphene-based components is an important issue. We investigate these effects on the conduction properties of nanoribbon transistors (both in ballistic and partially ballistic regimes). By assuming the presence of small deformations, a spectral scaling and a spectral shift due to the presence of a deformation can be taken into account analytically. This model leads to define in closed form effective quantities (masses, densities of states) used to numerically calculate potentials and currents in the nano-device. Numerical results are shown both in a ballistic and partially-ballistic regime, with and without the presence of Schottky contacts. The proposed results in Chapter 2 illustrate in a very simple way how the deformation of graphene nanoribbon influences the I-V characteristics of transistor. Another solution to realize graphene nanotransistor is the etching of nanoholes in a graphene sheet (thus realizing a nanomesh). If graphene nanomesh is properly shaped, the On/Off current ratio of transistor is expected to be enhanced. In Chapter 3, the semi-analytic method is used to evaluate the performance of nanomesh transistor with nanoribbon ones. The results are again compared with an ab-initio method. I-V characteristics of graphene nanomesh transistor are presented and compared with experimental results. The proposed results show how graphene nanomesh size influences the I-V characteristics of transistor. Given the simplicity and the reduced computation time of the approach, these results can lead to perform parametric analyses, optimizations and characterization of graphene nano-transistor when applied in larger-scale circuits. Physics ; Humanities ; Graphene ; Philosophy ; Quantum mechanics Carbon Nanotubes in Composites ; Graphene research and applications ; Force Microscopy Techniques and Applications
Authors: Sven Brück | Volker Schippl | Hans‐Jürgen Christ | Claus‐Peter Fritzen
Source: MATEC Web of Conferences (article, 2018-01-01)
Field: Materials Science — Metals and Alloys

Hydrogen Embrittlement Mechanism in Fatigue Behaviour of Austenitic and Martensitic Stainless Steels In the present study, the influence of hydrogen on the fatigue behaviour of the high strength martensitic stainless steel X3CrNiMo13-4 and the metastable austenitic stainless steels X2Crni19-11 with various nickel contents was examined in the low and high cycle fatigue regime. The focus of the investigations was the changes in the mechanisms of short crack propagation. The aim of the ongoing investigation is to determine and quantitatively describe the predominant processes of hydrogen embrittlement and their influence on the short fatigue crack morphology and crack growth rate. In addition, simulations were carried out on the short fatigue crack growth, in order to develop a detailed insight into the hydrogen embrittlement mechanisms relevant for cyclic loading conditions. Materials science ; Hydrogen embrittlement ; Metallurgy ; Austenite ; Paris' law ; Martensite ; Embrittlement ; Hydrogen ; Austenitic stainless steel ; Crack closure ; Fracture mechanics ; Composite material ; Microstructure ; Corrosion Hydrogen embrittlement and corrosion behaviors in metals ; Fatigue and fracture mechanics ; Material Properties and Failure Mechanisms