By combining molecular dynamics (MD) simulations and density functional theory (DFT), the influence of dye structure on the optical modulation properties of negative-mode guest–host liquid crystal (GHLC) systems was systematically investigated....
Pristine graphene is one of the strongest materials known in the world, and may play important roles in structural and functional materials. In order to utilize the extraordinary mechanical properties in practical engineering structures, graphene sho...
Single crystals of new non-centrosymmetric iodate Ba(IO3)OH are synthesized hydrothermally and structurally investigated. OD topology-symmetry analysis of layers and their alternation led to conclusions about the similarity with the Bi(IO3)O nonlinea...
Intermolecular interactions of organic, inorganic, and organometallic compounds are the key to many composition–structure and structure–property networks. In this review, some of these relations and the tools developed by the Cambridge Cr...
Grafting of acrylic monomers onto the renewable feedstock starch via free radical polymerizations has been investigated for many years. Many potential applications have been studied, such as superabsorbents, flocculants, thickening agents and so fort...
Two polytypic modifications of new non-centrosymmetric iodate Rb3Sc(IO3)6 are synthesized hydrothermally. Their structures demonstrate different degrees of ordering and are solved in the same space group, Pc, with differing choice of b-axis: either 2...
Polyurethane elastomers are among the most versatile classes of industrial polymers—typically achieved through a two-step synthesis of segmented block copolymers, comprising very long and soft segments that provide elasticity and significantly...
Precise structure-property relation of a biodegradable polymer (e.g., aliphatic polyester) is anticipated only if monomer units and chiral centers are arranged in a defined primary sequence as a biomacromolecule. An emerging synthetic methodology, na...
Ionic liquids are attractive and safe electrolytes for diverse electrochemical applications such as advanced rechargeable batteries with high energy densities. Their properties that are beneficial for energy storage and conversion include negligible...
In this work, an economical modifier silane agent—KH550—was used for surface treatment of basalt fiber. Then, a biodegradable poly(butylene succinate) (PBS)/modified basalt fiber (MBF) biocomposite was successfully developed. The effects of silane tr...
Five Poly(lactic acid) (PLA) film samples were analyzed to study the gas barrier behavior, thermal stability and mechanical performance for food packaging application. O2, CO2, N2, N2O, and C2H4 pure gases; Air; and Modified Atmosphere (MA, 79% N2O/2...
We report a reproducible preparation and characterization of highly homogeneous thermoplastic starch/pol(ε-caprolactone) blends (TPS/PCL) with a minimal thermomechanical degradation and co-continuous morphology. These materials would be suita...
High entropy metal sub-lattice stabilized nitride coatings based on multicomponent refractory transition metals (TM = Ti, Nb, V, Ta, Zr, Hf) are promising candidates for extreme conditions due to their high thermal, mechanical, and corrosion properti...
Biobased polyamide 410 (PA410)/multiwall carbon nanotube (CNT) nanocomposites (NCs) were obtained by melt-mixing in a twin screw extruder a Polyamide 6 (PA6)-based masterbatch (with 15 wt % CNT content) with neat PA410. Directly mixed PA410/CNT NCs w...
High-strength crystalline/amorphous composites materials based on (Ti-Ni)-(Cu-Zr) system were developed. The optimal concentrations of additional alloying elements Al, Fe, and Cr were obtained. Structural investigations were carried out using X-ray d...
Since the 1970s and 1980s, a major effort has been made to study UHMWPE (Ultra-High Molecular Weight PolyEthylene) fibers with remarkable mechanical properties, based on a basic polymer such as PE (PolyEthylene). These performances are above all asso...
This paper describes the synthesis and characterization of new “T-type” azo poly(amide imide)s as well as guest-host systems based on the “T-type” matrices. The matrices possessed pyridine rings in a main-chain and azobenzene...
In this mini-review type of article, a brief summary of the anionic group approximation as it relates to the borate nonlinear optical (NLO) crystals, an idea firstly proposed by Professor Chen, is presented.The basic idea, calculation method, tabulat...
A series of polyaniline (PANI) salts were synthesized with the presence of a small amount of water varying from 0 to 1 mL at the beginning of solid-state polymerization. The structure and morphology of the samples were characterized by fourier transf...
The performance of carbon fibers depends on the properties of the precursor polyacrylonitrile (PAN) fibers. Stretching of PAN fibers results in improved tensile properties, while potentially reducing its compressive properties. To determine optimizat...
This study presents a molecular dynamics (MD) investigation of the evolution of local atomic environments (LAEs) in a Cu66Zr34 bulk metallic glass (BMG), both at rest and under constant shear deformation. LAEs were characterized using Voronoi polyhed...
Polyphenylene sulfide (PPS)-based separators have garnered significant attention as high-performance components for next-generation lithium-ion batteries (LIBs), driven by their exceptional thermal stability (>260 °C), chemical inertness, and...
Spread-tow woven fabrics (STWs) have attracted considerable attention owing to their thin-layered characteristics, high fiber strength utilization rate and superior designability, finding wide application in the aerospace field. To meet the applicati...
This study presents a finite element analysis (FEA)-based numerical homogenization method for evaluating the effective thermo-mechanical properties of a large-area additively manufactured particulate-filled composite using realistic periodic represen...
This work was inspired by previous experiments which managed to establish an optimal template-dealloying route to prepare ultralow density metal foams. In this study, we propose a new analytical–numerical model of hollow-structured metal foams with s...
A new modification of PbF(IO3) has been obtained as single crystals from hydrothermal synthesis, alongside the known centrosymmetric, Pb(IO3)2, as a second phase. Measured with the Kurtz-Perry SHG method, the new crystals are phase-matchable for YAG:...
We have prepared polycrystalline samples of the trimer Ir oxide BaIrO3 with face-shared Ir3O12 trimers, and have investigated the origin of the phase transition at 182 K by measuring resistivity, thermopower, magnetization and synchrotron X-ray diffr...
Tristriazolotriazines (TTTs) with a threefold alkoxyphenyl substitution were prepared and studied by DSC, polarized optical microscopy (POM) and X-ray scattering. Six pentyloxy chains are sufficient to induce liquid-crystalline behavior in these star...
The purpose of this research is to predict the material performance of large format foamed core composite structures, such as crossties or structural timbers, using only constitutive properties. These structures are fabricated from recycled post-cons...
The aim of the study was to investigate the relationship between the melting point and the supramolecular structure of three multi-component crystals of aliphatic dicarboxylic acids with 2,2′-bipyridine and to investigate the conformations of 2,2′-bi...
A family of Ruddlesden–Popper (n = 1) layered perovskite-related phases, Az2PbClxBr4−x with composition 0 ≤ x ≤ 4 were obtained using mechanosynthesis. These compounds are isostructural with K2NiF4 and therefore adopt the idealised n = 1 Ruddlesden–P...
In this paper, we report the details of the synthesis, single crystal X-ray diffraction study, comparative crystal chemical analysis, and magnetic behavior of a new phosphate variation of the arsenate mineral zubkovaite. The title compound was obtain...
The chemical structure of a drug determines its physicochemical properties, further determines its ADME/Tox properties, and ultimately affects its pharmacological activity. Medicinal chemists can regulate the pharmacological activity of drug molecule...
Vibration frequency and vibration duration are disturbance factors for the structural properties of clay. This study investigates how the vibration frequency and vibration duration from construction disturbances affect the mechanical properties of Zh...
In the framework of finitely supported atomic sets, by using the notion of atomic cardinality and the T-finite support principle (a closure property for supports in some higher-order constructions), we present some finiteness properties of the finite...
We present a comparative study (using PBE, PBE0, and HSE functionals) of electronic and atomic structure, magnetism, and phonon dispersion relations of α-Cu2P2O7. Four possible magnetic configurations are considered, FM, AFM-1, AFM-2, and AFM-3...
Glomalin-related soil protein (GRSP), a glycoprotein derived from mycorrhizal fungal hyphae, is a mixture of substances rich in various elements essential for plant growth. However, the impacts of tree diversity and forest structure on the element co...
The deformation and failure kinetics of polyamide 6 samples prepared by several thermal histories were investigated by tests at different temperatures and relative humidities. PA6 samples were produced in quiescent condition and multiple cooling proc...
The effect of processing conditions during injection on the structure formation and mechanical properties of injection molded polyamide 6 samples was investigated in detail. A large effect of the mold temperature on the crystallographic properties wa...
Every application of a substance results from the macroscopic property of the substance that is related to the substance’s microscopic structure. For example, the forged park gate in your city was produced thanks to the malleability and ductili...
Myrtaceae are a group of plants that include a number of renowned species used in ethnomedicine in many areas worldwide. Their valuable therapeutic properties have stimulated a fruitful research activity addressed to the identification of the bioacti...
A wide variety of molecules containing S–N or S–N–S cores were synthesized, and their flame retardant properties in polypropylene (PP), low density polyethylene (LDPE) and polystyrene (PS) were investigated. In addition, polymers or oligomers bearing...
A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 wa...
Experimental series of alloys for (Sm,Zr)(Co,Cu,Fe)Z permanent magnets are presented in the concentration ranges that provide wide variations of (4f)/(4d)/(3d) ratios of comprising elements. Optical metallographic analysis, observation of the surface...
Platinum-based nanomaterials have attracted much interest for their promising potentials in fields of energy-related and environmental catalysis. Designing and controlling the surface/interface structure of platinum-based nanomaterials at the atomic...
Carbon nanomaterial particles were selectively distributed in an incompatible and high-melting-temperature polymer blend interface, or in a particular phase, to obtain conductive composites. The composite products revealed poor morphology stability a...
The mechanical properties of Ti49.8Ni50.2 (at %) alloy under tension at room temperature are studied in dependence on the true strain (e = 1.84–9.55) specified during isothermal multi-axial forging (abc-pressing). It was found that the stress a...
Microalgae are an emerging source of bioactive peptides with promising therapeutic potential against lifestyle-related diseases such as oxidative stress-related conditions, hypertension, diabetes, and obesity. While numerous studies have investigated...
The mechanical properties of electrospun nanofiber membranes are critical for their applications. A clear understanding of the mechanical properties that result from the characteristics of the individual fiber and membrane microstructure is vital in...
Possible mechanisms of particle attraction providing formation of the field aligned microparticle strings in complex plasmas at elevated gas pressures are theoretically investigated in the light of the Plasmakristall-4 (PK-4) experiment on board the...
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