bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hyper‐viscoelastic characterization of highly filled rubber compound: Extending approach for geometrical defect analysis
Authors: Kumar Abhay , Khanra Sipra , Bansal Vidit , Goyal Sharad , Nair Sujith , Hossain Shaikh Jahangir , Chattopadhyay Santanu 
Published: December 2021

AbstractThe work provides insight into the hyper‐viscoelastic characterization of highly filled rubber compound with low structured carbon black, further examining geometrical defects using finite element (FE) simulations. The complete force‐extension behavior and stress relaxation (various strain levels [10%–100%]) in a uniaxial state of stress are reported. The extension at break is reduced by more than 42% for geometrically defective specimens. The breakage of filler–filler interaction attains equilibrium at 75% strain in stress relaxation experiment. Beyond this, the relaxation depends majorly on polymer chains. Hyperelastic material models, namely Ogden, Yeoh, and Arruda–Boyce, are chosen for the present investigation. A Prony series is used for capturing the viscoelastic properties of relaxation times. The combined utilization of the Ogden law and the Prony series in FE simulations provides an excellent match in capturing the experimental features. The effect of geometrical defects is illustrated via solving a series of numerical as well as experimental results. The simulated shape/profile changes such as necking and elliptical formation are excellently comparable with experimental results. Strain localization study shows the stress concentration zone and early prediction of failure location. The methodology presented is potentially crucial for understanding and simulating engineering rubber product's complex structures in general.
Recent advancements in synthesis, properties, and applications of conductive polymers for electrochemical energy storage devices: A review
Authors: Sumdani Md Gulam , Islam Muhammad Remanul , Yahaya Ahmad Naim A. , Safie Sairul Izwan 
Published: December 2021

AbstractConductive polymer (CP) research has exploded in popularity over the years, with applications ranging from nanoelectronics to material science. CPs are, for all sorts of purposes, Nobel Prize‐winning compounds, as their inventors received the Nobel Prize in Chemistry in 2000. Conducting polymers have sparked a lot of interest in academic and industrial sectors because they combine the electrical characteristics of semiconductors and metals with the typical benefits of ordinary polymers, such as ease of preparation and low cost production. Conducting polymers have also received a lot of attention because of their unique characteristics, which include customizable electrical properties, excellent optical and mechanical capabilities, ease of synthesis and manufacturing, and superior environmental durability to traditional inorganic materials. In this study, the molecular structures and behaviors of the most common forms of CPs, namely, polyacetylene, polyaniline, polypyrrole, and polythiophene and derivatives of polythiophene are discussed. The transport phenomenon that allow to understand the conduction process, are also described in this review. An in‐depth investigation of conducting polymer‐based binary, ternary, and quaternary composites with carbon‐based materials, metal oxides, transition metals, and inorganic particles is utilized to analyze their applications as supercapacitors and batteries. There are also explanations of recent advancements in their applications in the areas of energy storage systems including batteries and supercapacitors. The development of their applications in the energy storage devices such as supercapacitors, lithium, and other ‐ions batteries, as well as their current issues and future prospect to advance energy storage systems are broadly discussed. This review is intended to contribute to a better understanding of this conducting polymer and, as a result, to the development of new research areas.
Simulative study of polymeric core–shell foam particles for the enlargement of the material portfolio in 3‐D high‐frequency welding
Authors: Schneider Kevin , Ott Constantin , Drummer Dietmar 
Published: December 2021

AbstractThe steam chest molding process is currently state of the art concerning the generation of three‐dimensional polymeric foam components made from particle foams. An adaption of the high‐frequency welding process shows advantages regarding the required energy and the used water. Due to the low dielectric loss factors of the most common foam materials (PE, PP, and PS), they cannot be heated sufficiently by an electric field. To enable heating of these foams, the particles may be coated with a second material that shows a high dielectric loss. The possible heat development of the modified particles was simulatively investigated. To ensure a realistic simulation, the properties of the used materials are analyzed beforehand. The heating simulation shows clear dependence regarding the particle size and the shell thickness. By a suitable combination, sufficient heating is achievable. For single particles, an irregular temperature distribution is calculated, mainly caused by the difference of permittivity resulting in a local variation of electrical flux density. Bigger particles and thicker shells will result in faster heating ramps and higher overall temperatures. The additional calculation regarding a particle–particle interaction shows a homogenization of the temperature distribution across the particle surface.
Additive manufacturing of high‐performance engineering polymers: present and future
Authors: Weyhrich Cody W , Long Timothy E 
Published: December 2021

AbstractHigh‐performance engineering polymers continually challenge existing boundaries of rapidly emerging research areas including electronics, transportation, energy, defense and aerospace. Significant research attention over the past decade highlights the exceptional performance of these polymers due to their superior thermomechanical properties and stability under extreme conditions. Unfortunately, inherent structure–property relationships of high‐performance engineering polymers, which predict this unique complement of physical properties, also describe high‐viscosity melts and high melting temperatures. These processing challenges have steered researchers towards advanced processing methods, such as additive manufacturing, that allow for unprecedented control over part geometry. In addition, additive manufacturing serves to advance application–cost relationships, as part optimization and 3D printing of previous monolithic components allow for less material consumption. Currently, the additive manufacturing materials toolbox only contains a fraction of commercially available high‐performance polymers due to unique processing constraints. This review discusses recent efforts towards the successful additive manufacturing of three high‐performance polymer families, i.e. polysulfones, poly(ether ether ketone)s and polyimides. © 2021 Society of Industrial Chemistry.
Processing and rheological behavior of cross‐linked polyethylene containing disulfide bonds
Authors: Montoya‐Ospina Maria Camila , Verhoogt Henk , Osswald Tim A. 
Published: December 2021

AbstractVitrimers are a new class of materials that consist of chemically cross‐linked networks that engage in thermoactivated associative exchange reactions. These exchange reactions can impart malleability, healing, and recyclability properties to thermosets. In this study, a one‐step protocol to prepare linear low‐density polyethylene (LLDPE) vitrimer‐like materials with disulfide exchange bonds via reactive blending is presented. The cross‐linking reaction of maleic anhydride‐grafted‐linear low‐density polyethylene (LLDPE‐MAH) and 4,4′‐dithiodianiline was followed in a torque rheometer. The degree of MAH‐functionalization and its impact on the melt rheology, dynamic mechanical properties, and thermal properties of the vitrimer was studied. The cross‐linked LLDPE possessed a mostly elastic behavior, with storage modulus () higher than loss modulus () in the entire frequency range. The complex viscosity of cross‐linked LLDPE at high frequencies (>100 rad/s) was comparable to the thermoplastic LLDPE. The MAH‐groups and formation of cross‐links decreased the degree of crystallinity, which led to a decrease in the storage modulus at a temperature of 35°C. The storage modulus and dimensional stability of the materials improved with cross‐linking density, suggesting potential benefits of LLDPE vitrimers in secondary manufacturing processes. Finally, the reprocessing ability was demonstrated via internal mixing and the rheological and mechanical properties were retained.
Two projector triple products in quantum crystallography
Authors: Matta Chérif F. , Massa Lou 
Published: December 2021

AbstractConsider a projector matrixP, representing the first order reduced density matrixin a basis of orthonormal atom‐centric basis functions. A mathematical question arises, and that is, how to breakPinto its natural component kernel projector matrices, while preservingN‐representability of. The answer relies upon 2‐projector triple products,P′jPP′j. The triple product solutions, applicable within the quantum crystallography of large molecules, are determined by a new form of the Clinton equations, which—in their original form—have long been used to ensureN‐representability of density matrices consistent with X‐ray diffraction scattering factors. As such, the goal of this paper is to outline a possible pathway for the application of quantum crystallography to crystals of large molecular systems.
Separation and Recovery Process of Copper (II) and Nickel (II) from Wastewater Using Ion Exchange Fiber
Authors: Yang Xibo , Ma Nannan , Jia Yiming , Huang Jiajia , Zhang Xiang 
Published: December 2021

AbstractIn this paper, the parameters affecting the adsorption of CuII and NiII by PAN‐NHx fiber and PAN‐COONa fiber were discussed firstly, such as initial ion concentration, pH, and temperature. Secondly, influence factors toward the separation of CuII and NiII by PAN‐NHx fiber were systematically evaluated by single‐column experiments. The results showed that the PAN‐NHx fiber had good separation of CuII and NiII; NiII accounts for more than 99.00 % of total metal ion content in the initial 1000 mL effluent, while CuII is less than 1 %. With the changed from CCuII: CNiII=90 %:10 % to 95 %:5 %, the ratio of CCuII: CNiII in the treated effluent changed from 6 %: 94 % to 2 %: 98 % (fed flow rate: 0.42 BV min−1). The adsorption capacity of PAN‐NHx adsorption column was well maintained after six cycles. Finally, based on the above laboratory results, a multi‐column process was designed to separate and recover CuII and NiII from wastewater.
Synthesis of Novel 1,3‐Cyclohexadiene Derivatives Bearing 2‐Oxo‐Quinoline Moiety via a 4‐CR Strategy**
Authors: Rezvanian Atieh , Kuhzadeh Parisa , Roosta Atefeh 
Published: December 2021

AbstractHerein, we report the first example of green synthesis of hybridized 1,3‐cyclohexadiene (1,3‐CHD) scaffolds in moderate to excellent yields. The catalyst‐free sequential four‐component reaction of 2‐chloroquinoline‐3‐carbaldehydes, 1‐phenyl‐2‐(1,1,1‐triphenyl‐λ5‐phosphanylidene)ethan‐1‐one, ethyl acetoacetate and primary amine in ethanol afforded tetrasubstituted 1,3‐cyclohexadienes bearing 2‐oxo‐1,2‐dihydroquinoline moiety during 4 hours. The structure of the synthesized products was determined via X‐ray analysis. This approach is characterized by its operational simplicity, readily available precursors, green solvent, mild conditions, and moderate to excellent yields.
Syntheses and Chiroptical Properties of Optically Active V‐Shaped Molecules Based on Planar Chiral [2.2]Paracyclophane
Authors: Miki Nanami , Maeda Hazuki , Inoue Ryo , Morisaki Yasuhiro 
Published: December 2021

AbstractTwo optically active molecules were prepared using enantiopure planar chiral [2.2]paracyclophane as chiral building blocks, in which π‐electron systems were stacked at 120° to form a V‐shaped structure. The optical and chiroptical properties of the synthesized molecules were investigated experimentally and theoretically. The chiroptical properties depended strongly on the orientation of the stacked π‐electron systems; in other words, these properties could be regulated by changing the orientation of the stacked π‐electron systems.
Highly Ordered Micropores Activated Carbon from Long Fiber Biomass for High Energy Density Supercapacitors
Authors: Zhang Xiao , Li Zhe , Tian Xun , Ma Yanqing , Ma Lei 
Published: December 2021

AbstractThe electrochemical performance of carbon based supercapacitors not only depends on the specific surface area and conductivity, but also the structure of materials. In order to construct the carbon materials with effective structure, the long fibrous plant‐saussurea involucrata stalk was chosen as the new style carbon source. Highly ordered micropores activated carbon (HOMAC) materials have been successfully obtained via KOH chemical activation method. The synthesized HOMAC exhibits high specific surface area of 2692 m2 g−1 and pore volume of 1.14 cm3 g−1. The assembled HOMAC‐based electrode can deliver a high specific capacitance of 379 F g−1 at 2 mV s−1 in 1 M H2SO4 aqueous electrolyte, and show excellent cyclic stability (the capacitance retention ∼95 %) over 10000 cycles at a current density of 1 A g−1, which authenticates excellent charge storage capacity of electrode material. Moreover, the operation voltage window can be expanded to 0–1.8 V in 1 M Na2SO4 electrolyte for the 2‐electrode system. The symmetric supercapacitor can deliver a high energy density of 33.91 Wh kg−1 at power density of 180.03 W kg−1. These high performances can be ascribed to the high surface area and ordered microporous structures obtained using KOH as activator. We further discussed the relationship between fibrous plants and electrochemical performances of the final activated carbon materials. This present work can provide beneficial guidance for the preparation of high performance activated carbon electrodes from a biomass‐based carbon source. Comparing with two different biomass materials, it can be found that the ionic diffusion coefficient of saussurea involucrata is 5.074×10−13 m2 s−1, which is 2.5 times of cotton stalk (1.547×10−13 m2 s−1). This phenomenon indicates the different ion transmission rate in different pore structures.
Material Nanoarchitectonics of Functional Polymers and Inorganic Nanomaterials for Smart Supercapacitors
Authors: Na Jongbeom , Zheng Dehua , Kim Jeonghun , Gao Mengyou , Azhar Alowasheeir , Lin Jianjian , Yamauchi Yusuke 
Published: December 2021

AbstractSmart supercapacitors are a promising energy storage solution due to their high power density, long cycle life, and low‐maintenance requirements. Functional polymers (FPs) and inorganic nanomaterials are used in smart supercapacitors because of the favorable mechanical properties (flexibility and stretchability) of FPs and the energy storage properties of inorganic materials. The complementary properties of these materials facilitate commercial applications of smart supercapacitors in flexible smart wearables, displays, and self‐generation, as well as energy storage. Here, an overview of strategies for the development of suitable materials for smart supercapacitors is presented, based on recent literature reports. A range of synthetic techniques are discussed and it is concluded that a combination of organic and inorganic hybrid materials is the best option for realizing smart supercapacitors. This perspective facilitates new strategies for the synthesis of hybrid materials, and the development of material technologies for smart energy storage applications.
Ultrarobust Photothermal Materials via Dynamic Crosslinking for Solar Harvesting
Authors: Huang Xin , Liu Jize , Zhou Peng , Su Gehong , Zhou Tao , Zhang Xinxing , Zhang Chuhong 
Published: December 2021

AbstractHighly efficient and mechanically durable photothermal materials are urgently needed for solar harvesting, but their development still remains challenging. Here, inspired by the hierarchically oriented architecture of natural spider silk, an ultrarobust liquid metals (LMs)/polymer composite is presented via dynamic crosslinking based on the unique mechanical deformable characteristic of LMs. Dynamically cross‐linked core–shell structured LMs droplets can be squeezed along with the orientational crystallization of polymer chains during drawing, thus enabling LMs nanoparticles to be uniformly programmed in the rigid polyethylene nanofiber skeleton. The resultant composite exhibits an unprecedented combination of strong broad‐band light absorption (96.9–99.3%), excellent photothermal conversion ability, remarkable mechanical property (tensile strength of 283.7 MPa, which can lift 200 000 times its own weight), and long‐term structural reliability (bearing 100 000 bending cycles). A powerful and durable solar thermoelectric generator system for real‐environmental solar‐heat‐electricity conversion is further demonstrated, providing a valuable guidance for the design and fabrication of high‐performance solar‐harvesting materials.
Lithium Storage Mechanism and Application of Micron‐Sized Lattice‐Reversible Binary Intermetallic Compounds as High‐Performance Flexible Lithium‐Ion Battery Anodes
Authors: Fang Zhenhan , Duan Shaorong , Liu Haitao , Hong Zixin , Wu Hengcai , Zhao Fei , Li Qunqing , Fan Shoushan , Duan Wenhui , Wang Jiaping 
Published: December 2021

AbstractA strategy of lattice‐reversible binary intermetallic compounds of metallic elements is proposed for applications in flexible lithium‐ion battery (LIB) anode with high capacity and cycling stability. First, the use of metallic elements can ensure excellent electronic conductivity and high capacity of the active anode substance. Second, binary intermetallic compounds possess a larger initial lattice volume than metallic monomers, so that the problem of volume expansion can be alleviated. Finally, the design of binary intermetallic compounds with lattice reversibility further improves the cycle stability. In this work, the feasibility of this strategy is verified using an indium antimonide (InSb) system. The volumetric expansion and lithium storage mechanism of InSb are investigated by in situ Raman characterization and theoretical calculations. The active material utilization is significantly improved and the growth of In whiskers is inhibited in the micron‐sized ball‐milled and carbon coated InSb (bInSb@C) anode, which exhibits a reversible capacity of 733.8 mAh g−1 at 0.2 C, and provides a capacity of 411.5 mAh g−1 after 200 cycles at 3 C with an average Coulombic efficiency of 99.95%. This strategy is validated in pouch cells, illustrating the great potential of lattice‐reversible binary intermetallic compounds for use as commercial flexible LIB anodes.
Promoted NIR‐II Fluorescence by Heteroatom‐Inserted Rigid‐Planar Cores for Monitoring Cell Therapy of Acute Lung Injury
Authors: Li Yaxi , Zha Menglei , Kang Tianyi , Li Chong , Wu Xue , Wang Shuxian , Lu Song‐Bo , Lee Yi‐Shan , Wu Yun‐Rong , Ni Jen‐Shyang , Li Kai 
Published: December 2021

AbstractFluorophores with emission in the second near‐infrared (NIR‐II) window have displayed salient advantages for biomedical applications. However, exploration of new luminogens with high NIR‐II fluorescent brightness is still challenging. Herein, based on the “ring‐fusion” strategy, a series of heteroatom‐inserted rigid‐planar cores is proposed to achieve the bathochromic NIR‐II fluorophores with aggregation‐induced emission (AIE) performance. Interestingly, one of the representative fluorophores, 4,4′‐(5,5′‐([1,2,5]thiadiazolo[3,4‐i]dithieno[2,3‐a:3′,2′‐c]phenazine‐8,12‐diyl)bis(4‐octylthiophene‐5,2‐diyl))bis(N,N‐diphenylaniline) (TTQiT), enjoys a maximum emission beyond 1100 nm because of the efficiently narrowed energy bandgap by electron‐rich sulfur‐atom‐inserted core, which is verified by theoretical calculation. Taking advantage of the bright NIR‐II emission of TTQiT nanoparticles, the desirable in vivo NIR‐II imaging with high signal‐to‐background ratios is successfully performed and a long‐term stem cell tracking in the detection of acute lung injury is further realized. Therefore, it is anticipated that this work will provide a promising molecular engineering strategy to enrich the scope of NIR‐II fluorophores for catering to diverse demands in biomedical applications.
Study on the Structure‐Activity Relationship Between Single‐Atom, Cluster and Nanoparticle Catalysts in a Hierarchical Structure for the Oxygen Reduction Reaction
Authors: Li Yanyan , Zhu Xiaorong , Li Lei , Li Fayan , Zhang Xinyu , Li Yafei , Zheng Zhiping 
Published: December 2021

AbstractLiterature reports have shown that in primary structures, single‐atom catalysts exhibit better performance than cluster and nanoparticles due to their maximum atom utilization and the fine‐tuning of the electronic structure of the active sites. Hierarchical structures have recently been extensively studied because of increased active sites and orderliness of channels significantly improves the catalytic performance compare to primary structures especially in nanoparticles, however, the different sized effect of catalysts research has not been reported. Herein, a unique hollow double‐shell structure (a distinct cavity‐containing) is used as a hierarchical model to study the possible difference between single atom, cluster, and nanoparticle and to establish the corresponding structure‐activity relationship. Three Co catalysts are prepared: single atoms (Co‐Catalyst‐1), clusters (Co‐Catalyst‐2, 0.5–1 nm), and nanoparticles (Co‐Catalyst‐3, ≈5 nm) and their oxygen‐reduction capacity is evaluated. The unique electronic interactions, the strong electron‐withdrawing ability of N in Co–N4 (Co‐Catalyst‐1), attract electrons from the electrode to Co, specifically by expediting the generation and transformation of the rate‐determining step intermediates *OOH. The variant spatial structure which is caused by Co atom aggregation, and led to surface area, pore size, and carbon disorder, is a distinct, therefore significant variation in mass and charge transport efficiency, and activities.
Axial Scanning Metal‐Induced Energy Transfer Microscopy for Extended Range Nanometer‐Sectioning Cell Imaging
Authors: Hwang Wonsang , Kim Dongeun , Kim Dugyoung 
Published: December 2021

AbstractNanometer‐sectioning optical microscopy has become an indispensable tool in membrane‐related biomedical studies. Finally, many nanometer‐sectioning imaging schemes, such as variable‐angle total internal reflection fluorescence microscopy, metal‐induced energy transfer (MIET) imaging, and supercritical‐angle fluorescence microscopy have been introduced. However, these methods can measure a single layer of molecules, and the measurement ranges are below 100 nm, which is not large enough to cover the thickness of lamellipodium. This paper proposes an optical imaging scheme that can identify the axial locations of two layers of molecules with an extended measurement range and a nanometer‐scale precision by using MIET, axial focal plane scanning, and biexponential analysis in fluorescence lifetime imaging microscopy. The feasibility of the proposed method is demonstrated by measuring an artificial sample of a known structure and the lamellipodium of a human aortic endothelial cell whose thickness ranges from 100 to 450 nm with 18.3 nm precision.