Tracing pore-space heterogeneities in X-type zeolites by diffusion studies

Pore-space homogeneity of zeolite NaX was probed by pulsed field gradient (PFG) NMR diffusion studies with n-butane as a guest molecule. At a loading of 0.75 molecules per supercage, a wide spectrum of diffusivities was observed. Guest molecules in the (well-shaped) zeolite crystallites were thus found to experience pore spaces of quite different properties. After loading enhancement to 3 molecules per supercage, however, molecular propagation ideally followed the laws of normal diffusion in homogeneous media. At sufficiently high guest concentrations, sample heterogeneity was thus found to be of no perceptible influence on the guest mobilities anymore.     

Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice

We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.     

Micro-Raman Spectroscopy and X-ray Diffraction Analyses of the Core and Shell Compartments of an Iron-Rich Fulgurite

Fulgurites are naturally occurring structures that are formed when lightning discharges reach the ground. In this investigation, the mineralogical compositions of core and shell compartments of a rare, iron-rich fulgurite from the Mongolian Gobi Desert were investigated by X-ray diffraction and micro-Raman spectroscopy. The interpretation of the Raman data was helped by chemometric analysis, using both multivariate curve resolution (MCR) and principal component analysis (PCA), which allowed for the fast identification of the minerals present in each region of the fulgurite. In the core of the fulgurite, quartz, microcline, albite, hematite, and barite were first identified based on the Raman spectroscopy and chemometrics analyses. In contrast, in the shell compartment of the fulgurite, the detected minerals were quartz, a mixture of the K-feldspars orthoclase and microcline, albite, hematite, and goethite. The Raman spectroscopy results were confirmed by X-ray diffraction analysis of powdered samples of the two fulgurite regions, and are consistent with infrared spectroscopy data, being also in agreement with the petrographic analysis of the fulgurite, including scanning electron microscopy with backscattering electrons (SEM-BSE) and scanning electron microscopy with energy dispersive X-ray (SEM-EDX) data. The observed differences in the mineralogical composition of the core and shell regions of the studied fulgurite can be explained by taking into account the effects of both the diffusion of the melted material to the periphery of the fulgurite following the lightning and the faster cooling at the external shell region, together with the differential properties of the various minerals. The heavier materials diffused slower, leading to the concentration in the core of the fulgurite of the iron and barium containing minerals, hematite, and barite. They first underwent subsequent partial transformation into goethite due to meteoric water within the shell of the fulgurite. The faster cooling of the shell region kinetically trapped orthoclase, while the slower cooling in the core area allowed for the extensive formation of microcline, a lower temperature polymorph of orthoclase, thus justifying the prevalence of microcline in the core and a mixture of the two polymorphs in the shell. The total amount of the K-feldspars decreases only slightly in the shell, while quartz and albite appeared in somewhat larger amounts in this compartment of the fulgurite. On the other hand, at the surface of the fulgurite, barite could not be stabilized due to sulfate lost (in the form of SO₂ plus O₂ gaseous products). The conjugation of the performed Raman spectroscopy experiments with the chemometrics analysis (PCA and, in particular, MCR analyses) was shown to allow for the fast identification of the minerals present in the two compartments (shell and core) of the sample. This way, the XRD experiments could be done while knowing in advance the minerals that were present in the samples, strongly facilitating the data analysis, which for compositionally complex samples, such as that studied in the present investigation, would have been very much challenging, if possible.     

B2O3 reinforced polylactic acid/thermoplastic polyethylene glycol shape memory composites

Recently, there has been a great demand for boron-containing compounds (BCCs) with unique biological properties. The demand for the use of these compounds not alone but as additives in composite materials is increasing day by day. In this study, the effect of adding B₂O₃ compound to the blend of PLA and PEG polymers, which is an important biocompatible shape memory polymer, was investigated. In order to examine the effect of increasing B₂O₃ additive on the thermal properties of PLA-PEG blend, it was determined by using a Differential Scanning Calorimetry (DSC) and thermogravimetric analyzer (TGA), and it was seen that while the melting temperature of PEG decreased, the melting temperature of PLA increased. In addition, when the thermal stability of the composites was examined, increasing of thermal stability was observed with the addition of B₂O₃ and a three-step degradation occurred. It was determined that the B₂O₃/PLA-PEG composite was homogeneous by taking X-ray measurements and SEM measurements. The antimicrobial property of the PLA-PEG blend improved with the increasing B₂O₃ contribution were observed from the antimicrobial activity measurements of the composite against 4 different bacteria. However, it was determined that the PLA-PEG blend preserved its shape memory effect with increasing diboron trioxide contribution.     

Equiatomic binary phases of Copper-Rare Earth Elements. An overview of monocuprides from first-principles calculations

Equiatomic binary phases of copper with rare earth (RE) elements exhibit either primitive cubic ( ) or orthorhombic (Pnma) structures and in some cases both. By using density functional theory (DFT), we calculated the enthalpies of formation along the series of RE elements combined equimolarly with copper. For RE from Sc to Lu, the calculated enthalpies of formation fall in the range −49.8 kJ/mol for LuCu to −9.1 kJ/mol for the least thermodynamically stable CeCu. Except NdCu, all the other cubic or orthorhombic compounds exhibit lattice stability. Either forms of NdCu indicated lattice instability. Along the Sc-group, the hypothetical primitive cubic and orthorhombic forms of LuCu are found thermodynamically and mechanically stable. The overall trend of the formation enthalpies as a function of the Meyer Periodic Number is consistent with the energy trend of the 4 f-orbital filling as moving from Sc to Lu monocuprides. In addition, the calculated Gibbs free energies indicate that the thermodynamic stability is largely due to the entropic contributions. All standard DFT calculations were also repeated with DFT+U to better describe the correlation between the 5d–4f and 3d shells of RECu compounds. It has been found that DFT+U slightly affects the enthalpies of formation of RECu binaries. Moreover, DFT+U shifts up the f-band energies of RECu with light RE elements (such as La, Ce and Pr) and in contrast lowers them in the case of RECu with heavy RE elements from Nd to Lu.     

Ballistic performance of novel design of bulletproof plates inspired by biomimetic approaches

Metal and polymer matrix composite materials are preferred in bulletproof applications due to their high-impact resistance and lightness. Personal/demand-specific designs that have become possible with the developing additive manufacturing technologies have brought a new perspective to armor technologies. At the same time, parts with complex structures designed with biomimetic approaches can be easily manufactured with additive manufacturing. In this study, biomimetic armors obtained from standard Carbon fiber reinforced polymer (CFRP) and Inconel 718 materials were compared with traditional armor structures. Within the scope of the study, 9 × 19 mm² parabellum and 7.62 mm NATO bullets were impacted at 275 m/s and 600 m/s speeds on biomimetic and conventional armor consisting of three and five layers. Bullet velocities during impact, deformation of bullets, deformation of armor, and harmonic behavior are discussed. The results obtained were also used to calculate the damped impact energies. In the study, it was determined that biomimetic plates could absorb 22%–38% more impact energy. It has been determined that CFRP materials can absorb 45% more impact energy compared to Inconel 718.