jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xin Tang | Jinheng Xing | Xiang Yan | Chunlin Ye | Letian Zhang | Yu Zhang | Baoqiang Shu | Jingshan Mu | Wei Li | Jingdai Wang | Yongrong Yang
Source: Advances in Polymer Technology (article, 2022-10-19)
Field: Materials Science — Polymers and Plastics

Metallocene Polyolefins Reinforced by Low-Entanglement UHMWPE through Interfacial Entanglements By introducing low-entanglement UHMWPE, the mechanical properties of polyolefins are improved to varying degrees. For polypropylene, the lack of interaction between UHMWPE and polypropylene results in an unsatisfactory reinforcement effect, and the disentangled state makes it easier for the particles to form defects driven by a chain explosion. In contrast, regarding polyethylene and elastomer containing ethylene segments, low-entanglement UHMWPE plays a better role in reinforcement. A series of measurements including scanning electron microscopy (SEM), rheological measurements, differential scanning calorimetry (DSC), and mechanical measurement were used to investigate the mechanisms for the different enhancement effects. It originates from interdiffusion and entanglement forming of polyethylene segments across the interface, endowing the material with different aggregated and defect structures. For instance, EPDM possesses a higher optimal dosage of UHMWPE particles reflected in good interfacial interdiffusion with UHMWPE particles, leading to significant optimized mechanical performance. Materials science ; Polypropylene ; Polyethylene ; Composite material ; Elastomer ; Differential scanning calorimetry ; Scanning electron microscope ; Polymer ; Quantum entanglement ; Thermodynamics Polymer crystallization and properties ; Polymer Nanocomposites and Properties ; Tribology and Wear Analysis
Authors: V. Ya. Shevchenko | Aleksei Makogon | M. M. Sychov | Michael Nosonovsky | Ekaterina V. Skorb
Source: Langmuir (article, 2022-11-28)
Field: Materials Science — Materials Chemistry

Reaction–Diffusion Pathways for a Programmable Nanoscale Texture of the Diamond–SiC Composite The diamond-SiC composite has a low density and the highest possible speed of sound among existing materials except for diamond. The composite is synthesized by a complex exothermic chemical reaction between diamond powder and liquid Si. This makes it an ideal material for protection against impact loading. Experiments show that a system of patterns is formed at the diamond-SiC interface. Modeling of reaction-diffusion processes of composite synthesis proves a formation of ceramic materials with a regular (periodic) interconnected microstructure in a given system. The composite material with interconnected structures at the interface has very high mechanical properties and resistance to impact since its fractioning is intercrystallite. Diamond ; Composite number ; Materials science ; Exothermic reaction ; Microstructure ; Composite material ; Ceramic ; Diffusion ; Texture (cosmology) ; Nanoscopic scale ; Material properties of diamond ; Nanotechnology ; Chemistry Diamond and Carbon-based Materials Research ; Advanced materials and composites ; Advanced Surface Polishing Techniques
Authors: Hamid Rashidi | Kampbell J. Howard | Takashi Ito | Daniel A. Higgins
Source: The Journal of Physical Chemistry C (article, 2022-12-27)
Field: Materials Science — Materials Chemistry

Random Walks and Sticky Surfaces: Single-Molecule Measurements of Solute Diffusion in Ethanol/Water-Filled Anodic Alumina Nanopores Nanoporous anodic aluminum oxide (AAO) membranes are now being explored for use in advanced chemical separations, including in the dehydration of biofuels such as ethanol. Optimization of membrane performance requires an in-depth understanding of how solvent mixtures and solutes behave under nanoconfinement. In this work, the diffusion of rhodamine B (RhB) dye through 10 and 20 nm AAO nanopores filled with a series of ethanol/water mixtures (0–33% water) is explored by fluorescence correlation spectroscopy (FCS). RhB was found to diffuse through the pores by two distinct mechanisms with mean diffusion coefficients, Df and Ds, reflecting fast and slow diffusive motions, respectively, with values that differ by nearly 2 orders of magnitude. Both Df and Ds increased with pore size and were significantly smaller than Db, the RhB diffusion coefficient in bulk liquid. Mean Df values follow a composition-dependent trend that closely mimics the viscosity dependence of Db. Additional slowing of fast RhB diffusion is attributed to both hydrodynamic drag and electrostatic interactions with the nanopore surface. The mean Ds values exhibit a different trend with increasing water content, revealing an increase in Ds and a decrease in the contributions of slow diffusion to the observed dynamics. The fluorescence time transient data used in the analysis show that the slow diffusion process is strongly hindered and likely involves frequent adsorption of RhB to the pore surfaces. These results provide new insights into the detailed molecular-level mechanisms of mass transport in nanoporous AAO membranes. Nanopore ; Diffusion ; Nanoporous ; Membrane ; Rhodamine B ; Chemical physics ; Analytical Chemistry (journal) ; Chemistry ; Adsorption ; Viscosity ; Chemical engineering ; Materials science ; Nanotechnology ; Thermodynamics ; Physical chemistry ; Chromatography ; Organic chemistry ; Composite material Anodic Oxide Films and Nanostructures ; Nanopore and Nanochannel Transport Studies ; Block Copolymer Self-Assembly
Authors: Agata Radziwon | Sukhvir Kaur Bhangu | Soraia Fernandes | Christina Cortez‐Jugo | Robert De Rose | Brendan Dyett | Marcin Wojnilowicz | Petra Lázničková | Jan Frič | Giancarlo Forte | Frank Caruso | Francesca Cavalieri
Source: Nanoscale (article, 2022-01-01)
Field: Materials Science — Biomaterials

Triggering the nanophase separation of albumin through multivalent binding to glycogen for drug delivery in 2D and 3D multicellular constructs Engineered nanoparticles for the encapsulation of bioactive agents hold promise to improve disease diagnosis, prevention and therapy. To advance this field and enable clinical translation, the rational design of nanoparticles with controlled functionalities and a robust understanding of nanoparticle-cell interactions in the complex biological milieu are of paramount importance. Herein, a simple platform obtained through the nanocomplexation of glycogen nanoparticles and albumin is introduced for the delivery of chemotherapeutics in complex multicellular 2D and 3D systems. We found that the dendrimer-like structure of aminated glycogen nanoparticles is key to controlling the multivalent coordination and phase separation of albumin molecules to form stable glycogen-albumin nanocomplexes. The pH-responsive glycogen scaffold conferred the nanocomplexes the ability to undergo partial endosomal escape in tumour, stromal and immune cells while albumin enabled nanocomplexes to cross endothelial cells and carry therapeutic agents. Limited interactions of nanocomplexes with T cells, B cells and natural killer cells derived from human blood were observed. The nanocomplexes can accommodate chemotherapeutic drugs and release them in multicellular 2D and 3D constructs. The drugs loaded on the nanocomplexes retained their cytotoxic activity, which is comparable with the activity of the free drugs. Cancer cells were found to be more sensitive to the drugs in the presence of stromal and immune cells. Penetration and cytotoxicity of the drug-loaded nanocomplexes in tumour mimicking tissues were validated using a 3D multicellular-collagen construct in a perfusion bioreactor. The results highlight a simple and potentially scalable strategy for engineering nanocomplexes made entirely of biological macromolecules with potential use for drug delivery. Drug delivery ; Multicellular organism ; Albumin ; Drug ; Chemistry ; Nanotechnology ; Materials science ; Biochemistry ; Pharmacology ; Medicine Nanoparticle-Based Drug Delivery ; Advanced biosensing and bioanalysis techniques ; Microfluidic and Bio-sensing Technologies
Authors: Fei Li | Huaqiang Li | Lei Jiang | Dong Wang | Jinghui Gao | Lisheng Zhong
Source: Frontiers in Chemistry (article, 2022-04-27)
Field: Materials Science — Materials Chemistry

Phase Field Modeling on By-Product Migration in Crosslinking Polymers for HVDC Cable Insulation Applications Cross-linking by-products has been considered as one of the crucial factors for dielectric properties of cross-linked polyethylene, which plays an important role in the insulation performance of high voltage direct current (HVDC) cables. It migrates across cable insulation incorporating space charge effect, temperature variation of conductivity, etc., which makes it a long-standing puzzle of manipulating the electric field distribution for HVDC cable insulation, especially with the increasing voltage level. Nevertheless, there still lacks a theoretical model describing the migration of the by-products, especially for cable insulation with sizeable dimensions. In this article, a phase field model is established to simulate the migration of acetophenone (i.e., one of the by-products) through calculating the free energy landscape considering the competition between the diffusion driven by concentration gradient and the uphill diffusion caused by by-product aggregation. The results show that the time-dependence migration during degassing leads to an uneven distribution of acetophenone across the cable insulation, which is in good coincidence with the measured results for a full-size cable. Accordingly, the distortion of the electric field in HVDC cable insulation due to the radial distribution variation of acetophenone has been estimated regarding the relationship between by-product content and conductivity, and a method of manipulating the distribution of acetophenone is proposed to optimize the distribution of the electric field in cable insulation. Our work provides a numerical approach for the simulation of by-product migration in crosslinked polymers for insulation applications. Materials science ; Voltage ; Diffusion ; Electric field ; Polyethylene ; Conductivity ; Space charge ; Dielectric ; Composite material ; Mechanics ; Electrical engineering ; Engineering ; Physics ; Optoelectronics ; Thermodynamics High voltage insulation and dielectric phenomena ; Dielectric materials and actuators ; Power Transformer Diagnostics and Insulation
Authors: E.A. Chernova | Konstantin E. Gurianov | Dmitrii I. Petukhov | Andrei Chumakov | Р. Г. Валеев | Victor A. Brotsman | А.В. Гаршев | А. А. Елисеев
Source: Membranes (article, 2022-09-26)
Field: Materials Science — Materials Chemistry

Oxidized Carbon-Based Spacers for Pressure-Resistant Graphene Oxide Membranes In this study, we report the influence of carbon-based spacer-oxidized derivatives of fullerenes (fullerenols) C60(OH)26−32 and graphene oxide nanoribbons on the performance and pressure stability of graphene-oxide-based composite membranes. The impact of the intercalant shape and composition on the permeance of the selective layers for water vapors has been studied under pressure gradients. It is shown that the insertion of ball-shaped fullerenols between graphene oxide nanoflakes allows a suppression in irreversible permeance loss to 2−4.5% and reversible permeance loss to <25% (at 0.1 MPa), while retaining large H2O/N2 selectivities of up to ~30,000. The demonstrated approach opens avenues for the highly effective stabilization of GO membranes at elevated pressures for industrial-scale dehumidification. Permeance ; Graphene ; Oxide ; Membrane ; Materials science ; Chemical engineering ; Carbon fibers ; Composite number ; Nanotechnology ; Composite material ; Chemistry ; Permeation ; Metallurgy Graphene research and applications ; Membrane Separation Technologies ; Membrane Separation and Gas Transport
Authors: Agin Vyas | Simin Zare Hajibagher | Ulises A. Méndez‐Romero | Shameel Thurakkal | Qi Li | Mazharul Haque | R. K. Azega | Ergang Wang | Xiaoyan Zhang | Per Lundgren | Peter Enoksson | Anderson D. Smith
Source: ACS Applied Energy Materials (article, 2022-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Spin-Coated Heterogenous Stacked Electrodes for Performance Enhancement in CMOS-Compatible On-Chip Microsupercapacitors Integration of microsupercapacitors (MSCs) with on-chip sensors and actuators with nanoenergy harvesters can improve the lifetime of wireless sensor nodes in an Internet-of-Things (IoT) architecture. However, to be easy to integrate with such harvester technology, MSCs should be fabricated through a complementary-metal-oxide-semiconductor (CMOS) compatible technology, ubiquitous in electrode choice with the capability of heterogeneous stacking of electrodes for modulation in properties driven by application requirements. In this article, we address both these issues through fabrication of multielectrode modular, high energy density microsupercapacitors (MSC) containing reduced graphene oxide (GO), GO-heptadecane-9-amine (GO-HD9A), rGO-octadecylamine (rGO-ODA), and rGO-heptadecane-9-amine (rGO-HD9A) that stack through a scalable, CMOS compatible, high-wafer-yield spin-coating process. Furthermore, we compare the performance of the stack with individual electrode MSCs fabricated through the same process. The individual electrodes, in the presence of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfony)imide (EMIM-TFSI), demonstrate a capacitance of 38, 30, 36, and 105 μF cm<sup>-2</sup> at 20 mV s<sup>-1</sup> whereas the fabricated stack of electrodes demonstrates a high capacitance of 280 μF cm<sup>-2</sup> at 20 mV s<sup>-1</sup> while retaining and enhancing the material-dependent capacitance, charge retention, and power density. Materials science ; Electrode ; CMOS ; Optoelectronics ; Chip ; Spin (aerodynamics) ; Nanotechnology ; Electrical engineering ; Chemistry ; Engineering Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Lei Zhang | Linhua Jiang | Fangfang Zhi | Chunmeng Jiang | Weizhun Jin | Ming-Zhi Guo | Cheng Chen | Jianfeng Zhang
Source: Materials (article, 2022-11-26)
Field: Materials Science — Materials Chemistry

Effect of Layered Double Hydroxides on the Deterioration Process of Cement Paste under Sulfate Attack This study investigated the effect of layered double hydroxides (LDHs) on the deterioration process of cement paste in the sulfate environment. Cement pastes with the addition of original and calcined LDHs at 2.5 wt.% and 5.0 wt.% of cement were exposed to Na<sub>2</sub>SO<sub>4</sub> solution for 360 days. The macroscopic performance of the cement paste was assessed based on mass variation, porosity, compressive strength, and content of sulfate ions. Furthermore, the microhardness, microstructures, and composition of the degraded pastes were examined using Vickers hardness (HV), mercury intrusion porosimetry (MIP), scanning electron microscope (SEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). The results indicate that cement paste incorporated with LDHs can mitigate the corrosion caused by sulfate effectively, especially in the case of calcined LDHs (C-LDHs), which primarily increase the adsorption of sulfate. Compared with the control specimen, the 180 d compressive strength loss ratio of specimens with 2.5 wt.% and 5.0 wt.% of C-LDHs decreased by 63.66% and 80.51%, respectively. Moreover, LDHs can reduce the amount of ettringite crystals, densify the microstructure, and refine the pore structure to mitigate the cement paste's sulfate corrosion significantly. Compared with the control specimen, the 180 d harmful pore volume fraction of specimens laced with 2.5 wt.% and 5.0 wt.% C-LDHs decreased by 43.77% and 54.51%, respectively. In terms of the content of C-LDHs, an optimal content of C-LDHs could ensure the dominant effect of adsorption, while excessive C-LDHs could refine pores. In addition, Vickers hardness has an excellent correlation with compressive strength, which could precisely predict the compressive strength. Moreover, by combining the Vickers hardness distribution and content distribution of sulfate ions, the cross-section of the paste could be classified into four regions to evaluate the deterioration process accurately: the degraded zone, the strengthened zone, the invaded zone, and the intact zone. Ettringite ; Thermogravimetric analysis ; Materials science ; Microstructure ; Cement ; Porosity ; Compressive strength ; Sulfate ; Scanning electron microscope ; Adsorption ; Layered double hydroxides ; Calcination ; Composite material ; Chemical engineering ; Metallurgy ; Portland cement ; Chemistry ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Concrete and Cement Materials Research
Authors: Pompa Rani Ghosh | Soma Saha | Raton Kumar Bishwas | Subarna Karmaker | Tapan Saha
Source: Cellulose Chemistry and Technology (article, 2022-05-05)
Field: Chemistry — Analytical Chemistry

"ADSORPTION OF AMARANTH ONTO NATURAL PEANUT HUSK AND CATIONIC SURFACTANT-MODIFIED PEANUT HUSK FROM AQUEOUS SOLUTION: KINETIC, ISOTHERM AND THERMODYNAMIC ANALYSES " Natural peanut husk (NPH) and hexadecyltrimethylammonium bromide (CTAB)-modified peanut husk (MPH) were used to study the adsorption characteristics of amaranth in aqueous solution. NPH and MPH were characterized by Fourier transform infrared (FTIR) spectroscopy. The pHzpc values of NPH and MPH were estimated to be 5.06 and 5.96, respectively. The adsorption of amaranth onto both adsorbents was confirmed by the observations of field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray (EDX) analysis. Adsorption kinetic experiments were conducted at various contact time, solution pH, initial dye concentration, temperature, and ionic strength, respectively. Dye adsorption kinetics pursued the pseudo-second-order kinetic model. Adsorption isotherms obeyed the Langmuir model with the highest dye adsorption capacity of 20.88 µmol/g for NPH at pH 2, and 117.65 µmol/g for MPH at pH 4. The values of activation energy (Ea) for the adsorption process were determined to be 48.68 kJ/mol for NPH and 16.92 kJ/mol for MPH, respectively. Thermodynamic data confirmed that amaranth adsorption onto both adsorbents was an endothermic spontaneous physisorption process. The release of amaranth from dye-loaded adsorbents was performed in HCl solution (pH 1) and the recycled adsorbents were utilized six times without significant loss of their adsorption capacity. Chemistry ; Adsorption ; Amaranth ; Aqueous solution ; Langmuir adsorption model ; Physisorption ; Endothermic process ; Fourier transform infrared spectroscopy ; Nuclear chemistry ; Husk ; Chemical engineering ; Organic chemistry Dye analysis and toxicity ; Adsorption and biosorption for pollutant removal ; Molecular Sensors and Ion Detection
Authors: Taisen Yang | Yunhai Su | Zhiyong Dai | Yingdi Wang | Xuewei Liang | Zuyong Wei
Source: Materials (article, 2022-12-10)
Field: Materials Science — Ceramics and Composites

Corrosion Behavior of Nitrogen-Containing Low-Nickel Weld Cladding in KCl-MgCl2 Eutectic Molten Salt at 900 °C In this paper, the element nitrogen (N) is used to partially replace the element nickel (Ni) in flux-cored wire. A 44%Ni-24%Cr-0.18N nitrogen-containing low-nickel flux-cored wire with excellent corrosion resistance is prepared. The corrosion behavior of nitrogen-containing low-nickel weld cladding and Inconel 625 weld cladding in 40 KCl + 60 MgCl<sub>2</sub> (wt%) molten salt at 900 °C is studied. The results show that the selective dissolution of Cr occurs in both weld claddings. The corrosion resistance of the 44%Ni-24%Cr-0.18N nitrogen-containing low-nickel weld cladding is better than that of the Inconel 625 weld cladding. The reason is that added N can react with H<sup>+</sup> in molten salt to generate NH4+, remove corrosive impurities of MgOH<sup>+</sup> in molten salt and change the corrosion environment. N preferentially combines with Cr to form Cr<sub>2</sub>N, reduces the diffusion precipitation of Cr and improves the corrosion resistance. Corrosion ; Materials science ; Metallurgy ; Nickel ; Eutectic system ; Cladding (metalworking) ; Nitrogen ; Dissolution ; Welding ; Molten salt ; Inconel ; Alloy ; Chemical engineering ; Chemistry Advanced ceramic materials synthesis ; High-Temperature Coating Behaviors ; Advanced materials and composites
Authors: Liubov V. Toropova | Eugenya V. Makoveeva | Sergei I. Osipov | Alexey P. Malygin | Yang Yang | Dmitri V. Alexandrov
Source: Crystals (article, 2022-06-24)
Field: Materials Science — Materials Chemistry

Nucleation and Growth of an Ensemble of Crystals during the Intermediate Stage of a Phase Transition in Metastable Liquids In this paper, an analytical method of solving the integro-differential system of kinetic and balance equations describing the evolution of an ensemble of crystals during the intermediate phase of the bulk crystallization process is described. The theory is developed for kinetic equations of the first- and second order corresponding to the absence and presence of fluctuations in particle growth rates. The crystal-size distribution function as well as the dynamics of metastability reduction in a supercooled melt (supersaturated solution) are analytically found using the saddle-point and the Laplace transform methods. The theory enables us to obtain the crystal-size distribution function that establishes in a supercooled (supersaturated) liquid at the beginning of the final stage of a phase transformation process when Ostwald ripening, coagulation and fragmentation of crystals are able to occur. Ostwald ripening ; Nucleation ; Supercooling ; Metastability ; Crystallization ; Supersaturation ; Thermodynamics ; Phase transition ; Saddle point ; Crystal growth ; Distribution function ; Materials science ; Chemistry ; Physics ; Mathematics Material Dynamics and Properties ; Crystallization and Solubility Studies ; Rheology and Fluid Dynamics Studies
Authors: Fuqiang Yang | Tao Yan | Wenjuan Zhang | Haibing Zhang | Lingyan Zhao
Source: Materials (article, 2022-01-09)
Field: Materials Science — Metals and Alloys

Modeling the Hydrogen Redistribution at the Grain Boundary of Misoriented Bicrystals in Austenite Stainless Steel Hydrogen embrittlement, as one of the major concerns for austenitic stainless steel, is closely linked to the diffusion of hydrogen through the grain boundary of materials. The phenomenon is still not well understood yet, especially the full interaction between hydrogen diffusion and the misorientation of the grains. This work aimed at the development of a robust numerical strategy to model the full coupling of the hydrogen diffusion and the anisotropic behavior of crystals in 316 stainless steel. A constitutive model, which allows easy incorporation of crystal orientation, various loading conditions, and arbitrary model geometries, was established by using the finite element package ABAQUS. The study focuses on three different bicrystal models composed of misoriented crystals, and the results indicate that the redistribution of hydrogen is significant closely to the grain boundary, and the redistribution is driven by the hydrostatic pressure caused by the misorientation of two neighboring grains. A higher elastic modulus ratio along the tensile direction will lead to a higher hydrogen concentration difference in the two grains equidistant from the grain boundary. The hydrogen concentration shows a high value in the crystal along the direction with stiff elastic modulus. Moreover, there exists a large hydrogen concentration gradient in a narrow region very close to the grain boundary to balance the concentration difference of the neighboring grains. Materials science ; Misorientation ; Grain boundary ; Hydrogen ; Hydrogen embrittlement ; Metallurgy ; Austenite ; Grain boundary diffusion coefficient ; Composite material ; Chemistry Hydrogen embrittlement and corrosion behaviors in metals ; High Temperature Alloys and Creep ; Corrosion Behavior and Inhibition