Local Relaxation Research Articles

Luxury or Cultural Tourism Activities? The Role of Narcissistic Personality Traits and Travel-Related Motivations.

This study aimed to examine the role of travel-related motivations and preferences for activities (such as learning about local culture, relaxation and entertainment, status and social recognition, escape and curiosity, and experience) in the relationship between narcissistic personality traits and the preference for luxury tourism versus cultural tourism. A sample of 1342 Israeli community members was analyzed. The methodology utilized parallel mediation analyses to assess how different forms of narcissism (extraverted, antagonistic, neurotic, and communal) were associated with the desire for luxury tourism over cultural tourism, as mediated by various travel-related motivations. The results indicated that narcissistic personality traits were generally associated with a preference for luxury tourism, primarily through indirect associations via travel motivations such as relaxation and entertainment, status and social recognition, and experience. The conclusion highlights the implications for understanding how specific travel-related motivations influence tourism preferences among individuals with varying levels of narcissistic traits, suggesting that tourism management strategies could benefit from a nuanced approach to personality in marketing.

Stretching vibration driven adiabatic transfer kinetics for photoexcited hole transfer from semiconductor to adsorbate

Interfacial hole transfer from a photoexcited semiconductor to surface adsorbates is pivotal for initiating solar-to-chemical energy conversion, yet the atomic-level transfer kinetics remains elusive. Using the methoxy/TiO2(110) system as an archetype, here we elucidate the hole transfer mechanism from hole-trapping lattice oxygen to the methoxy adsorbate at gas/solid and liquid/solid interfaces through molecular dynamics simulations and static minimum energy path calculations. Instead of direct nonadiabatic hopping, we uncover an adiabatic migration pathway adapted to local substrate relaxation, driven by a bond-stretching mechanism supported by stronger Ti-O stretching vibrations. Notably, this mechanism persists at the aqueous methoxy/TiO2(110) interface, albeit hindered by interfacial water and coadsorbates. Surprisingly, the hole transfer barriers across various photoexcited adsorbate/TiO2 interfaces correlate more closely with the vertical excitation energies of the adsorbates rather than their redox potentials, indicating an early-type transition-state nature. These insights deepen our understanding of elementary hole transfer kinetics in surface photochemistry.

Multi-scale structural regulation of negative temperature coefficient effect and electrical conduction mechanism of xSm2O3-(1-x) CaCu3Ti4O12 ceramics

In this work, a series of xSm2O3-(1-x) CaCu3Ti4O12 (xSm2O3-(1-x)CCTO, x = 0.00-0.05) negative temperature coefficient (NTC) ceramics were prepared by a solid-state method. The influence of Sm2O3 content on electrical properties was examined using microstructural, band gap, morphological, Direct Current (DC) resistivity, and impedance spectroscopy analysis. The increase in Sm2O3 content resulted in a gradual decrease of the resistivities (ρ25), thermal constants (B25/75), activation energies for electrical conduction (Ea) and activation energies of the relaxation process (Erelax) from 1.16×107 Ω•cm, 6387 K, 0.5456 eV and 0.5592 eV to 3.43×105 Ω•cm, 4149 K, 0.4088 eV and 0.4115 eV respectively. First-principles calculations revealed a reduction in the band gap by adding Sm2O3, partially explaining the decrease in electrical resistivity. In-situ XPS analysis elucidated a relationship between conduction mechanism of Sm2O3-doped CCTO ceramics and electron hopping. Impedance analyses showed that both grains and grain boundaries contributed to the NTC effect of ceramics. The electrical inhomogeneity arose from grains and grain boundaries, while local relaxation was due to the short-range motion of charge carriers.

Conduction mechanisms and dielectric relaxations in ternary ZnO/Zn2SiO4/SiO2 composites for energy storage systems

In this paper, ZnO-based composite (ZnO/Zn2SiO4/SiO2) powders were prepared and investigated as a function of SiO2 added amount. Indeed, the X-ray diffraction patterns (XRD) confirm the formation of ternary ZnO/Zn2SiO4/SiO2 composites. The structural defects are shown to increase with the SiO2 amount. In addition, the SEM observations reveal agglomerated and heterogenic grain shape distribution. Furthermore, dielectric properties were investigated as a function of SiO2 added amount. The Nyquist plots are simulated by an electric circuit formed by a parallel distribution of resistance (R), capacitance (C), and a constant phase element (CPE), in all composites. Moreover, using the Jonscher's law, we demonstrate a change in conduction mechanism as a function of SiO2 content. Indeed, for the 10% SiO2 doping, the conduction process is ensured by defects such as Zn interstitial and the oxygen vacancies, consistent with the Correlated Barrier Hopping (CBH) model. Whereas, for the 20% SiO2 doping, the conduction is dominated by grain boundaries contribution, according to the Non-Overlapping Small Polaron Tunneling (NSPT) model. Besides, the 10% SiO2-doped composite exhibits localized relaxation process, while the 20% SiO2-doped sample reveals simultaneously long-range and localized relaxations. These variations, caused by the increase of SiO2 percent, can be explained by the influence of the growth of Zn2SiO4 phase, and subsequently the development of further interfacial defects. Accordingly, the composites display capacitive behavior, high permittivity, and low dielectric losses, which make them good candidates for energy storage systems.

Molecular Structures of Poly(methyl methacrylate) at Different Buried Interfaces Revealed by Sum Frequency Generation Vibrational Spectroscopy.

Silica or calcium fluoride (CaF2) substrate-supported poly(methyl methacrylate) (PMMA) thin films as insulating layers are commonly used in photoelectric/photovoltaic devices to improve the efficiency or stability of these devices. However, a comparative investigation of molecular structures at buried PMMA/silica and PMMA/CaF2 interfaces under thermal stimuli remains unexplored. In this study, we qualitatively and quantitatively revealed different molecular orderings and orientations of PMMA at two interfaces before and after annealing using sum frequency generation (SFG) vibrational spectroscopy. SFG vibrations were carefully assigned by using various deuterated PMMAs. SFG results indicated that, at the buried PMMA/silica interface, the side OCH3 groups were prone to lie down before annealing and tended to stand up after annealing. In contrast, the case was the opposite at the buried PMMA/CaF2 interface. The relative hydrophobicity/hydrophilicity of the two substrates and the developed hydrogen bonds upon annealing at the buried PMMA/silica interface, which is absent at the CaF2 surface, are believed to be the driving forces for different interfacial molecular structures. This study benefits the molecular-level understanding of the interfacial local structural relaxation of polymers at buried interfaces and the rational design of photoelectric/photovoltaic devices from the molecular level.

Kinetics of the bcc to hcp phase transition in [formula omitted]-oriented single crystal iron under ramp compression

Non-Equilibrium Molecular Dynamics simulations have been used to investigate the kinetics of the bcc to hcp phase transition in ramp-compressed [001]-oriented single crystal iron in the presence of defects consisting in micro-voids. Depending on the ramp maximum pressure, the microstructure of the daughter hcp phase is observed to be strongly affected by the plastic activity in the parent bcc phase. The hcp phase is first nucleated around the pre-existing microvoids, then it grows along preferential crystal directions and the subsequent volume reduction induces a local relaxation of the pressure. The velocity of the bcc-hcp phase boundary is shown to increase gradually with maximum pressure up to supersonic values. For high over-compression beyond the transition onset pressure, the phase transformation becomes almost instantaneous and essentially independent of the initial defects. Meanwhile, the ramp wave steepens with propagation distance and evolves into a shock front, up to the over-driven regime classically observed in both experiments and hydrodynamic, macro-scale simulations.

Finding the best frequency dependent performance of 3d transition metals (Co, Ni, and Mn) substituted nano magnetite for miniaturizing device applications

Ferrite samples with enhanced magneto-dielectric properties are more essential in electromagnetic applications. Therefore, a parent composition of Fe3O4 has been modified by substituting 3d transition metal elements (Co, Ni, Mn) at a single Fe atom using the co-precipitation synthesis method. The structural properties of the synthesized Fe3O4, NiFe2O4, CoFe2O4, and MnFe2O4 samples have been evaluated from the X-ray diffraction patterns. The surface morphology and microstructures of the studied samples were studied by field emission scanning electron microscopy and the average grain size of all the studied samples varied from 60.11 to 106.03 nm. The magneto-dielectric properties were analyzed by frequency dependent permeability (μ) and permittivity (ε) measurements for the range of 100 Hz to 100 MHz. The conduction process for the synthesized ferrites has been noticed from the ac conductivity (σac). The localized relaxation mechanism for the studied ferrites has been observed from the variation of imaginary portion of the electric modulus (M") and the impedance (Z"). Moreover, the mismatch (Z/ηο) between the impedance of the antenna substrates (Z) made of the studied samples and air (ηο) has been evaluated from the permeability and permittivity. Finally, NiFe2O4 has been derived as a suitable ferrite for miniaturizing devices over a frequency range of 10 kHz-6.5 MHz.

Non-apical mitoses contribute to cell delamination during mouse gastrulation

During the epithelial-mesenchymal transition driving mouse embryo gastrulation, cells divide more frequently at the primitive streak, and half of those divisions happen away from the apical pole. These observations suggest that non-apical mitoses might play a role in cell delamination. We aim to uncover and challenge the molecular determinants of mitosis position in different regions of the epiblast through computational modeling and pharmacological treatments of embryos and stem cell-based epiblast spheroids. Blocking basement membrane degradation at the streak has no impact on the asymmetry in mitosis frequency and position. By contrast, disturbance of the actomyosin cytoskeleton or cell cycle dynamics elicits ectopic non-apical mitosis and shows that the streak region is characterized by local relaxation of the actomyosin cytoskeleton and less stringent regulation of cell division. These factors are essential for normal dynamics at the streak and favor cell delamination from the epiblast.

PREDICTIONS AND VERIFICATIONS OF UNIVERSAL COOPERATIVE RELAXATION AND DIFFUSION IN MATERIALS

ABSTRACT Since its inception in 1979, the coupling model has predictions on the dynamic properties of relaxation and diffusion that should be universal in materials with many-body interactions. The verifications of this bold prediction require studies of many different relaxation and diffusion processes in diverse kinds of material. These tasks, performed over the past four decades, have culminated in the overwhelming confirmation of the predictions as reported in my previous extensive review (Prog. Mater. Sci.139, 101130 [2023]). A large variety of relaxation and diffusion processes in widely different classes of materials are shown to have the predicted universal properties. In particular for polymers, the local segmental relaxation responsible for glass transition conforms to the universal properties. However, not known is whether diffusion of the entangled chains in high molecular weight polymers also follows the same properties. Published data of the diffusion of entangled polymer chains from experiments and simulations are reexamined and reevaluated to show indeed that they are in conformity with the universal properties. The same conclusion holds also for diffusion and rheology of entangled cyclic polymers. This paper is written as a tribute to C. Michael Roland for his scientific collaborations and camaraderie with me over many years.

Novel Biobased Copolymers Based on Poly(butylene succinate) and Cutin: In Situ Synthesis and Structure Properties Investigations.

The present work describes the synthesis of poly(butylene succinate) (PBSu)-cutin copolymers by the two-stage melt polycondensation method, esterification and polycondensation. Cutin was added in four different concentrations, 2.5, 5, 10, and 20 wt%, in respect to succinic acid. The obtained copolymers were studied using a variety of techniques such as Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), polarized light microscopy (PLM), as well as diffuse reflectance spectroscopy (DRS). A series of results, in agreement between different techniques, revealed the formation of PBSu-cutin interactions, confirming indirectly the successful in situ synthetic route of copolymers. DSC and XRD combined with PLM results provided indications that the crystallization temperature increases with the addition of small amounts of cutin and gradually decreases with increasing concentration. The crystallization process was easier and faster at 2.5%, 5%, and 10% concentrations, whereas at 20%, it was comparable to neat PBSu. The presence of cutin, in general, leads to the facilitated crystallizability of PBSu (direct effect), whereas a moderate drop in the glass transition temperature is recorded, the latter being an indirect effect of cutin via crystallization. The thermal stability improved in the copolymers compared to neat PBSu. Water contact angle measurements confirmed that the addition of cutin decreased the hydrophilicity. The local and segmental relaxation mapping is demonstrated for PBSu/cutin here for the first time. Enzymatic hydrolysis and soil degradation tests showed that, overall, cutin accelerated the decomposition of the polymers. The copolymers may be proven useful in several applications.

Correlation Between Local and Bulk Relaxation Phenomena in Glassy Polystyrene

AbstractThe intermolecular forces are of great importance to scientists in a wide field of disciplines as the progress of interactions between molecules determines the bulk properties of substances. It is a matter of fact that the approximation of thermodynamic and transport properties of polymers requires a realistic intermolecular potential associated with the topological constraints of the matter, namely the specific one‐to‐one secondary interactions between molecular groups. The out‐of‐equilibrium volume relaxation in glassy polymers remains confined to the phenomenological observation of bulk properties. The Lennard‐Jones (LJ)‐type potentials and the Tait equation are compared in this communication. It is shown that the subtle relaxation responses observed in glassy polymers can be suitably described using both the local (LJ) interactions and the phenomenological Tait equation for bulk behavior. The approach is based on the oversimplified assumption that the volume relaxation phenomena are the isotropic manifestation of random relaxations of local directional interactions of secondary bonds. The results appear surprisingly appealing, given the straightforward approach.

The chemical ordering and local pressure dependence for truncated octahedron PdAuRh nanoalloys

The optimal chemical ordering configurations of 38-atom trimetallic Pd n Au(32−n)Rh6 nanoalloys with truncated octahedron (TO) geometry were determined through Monte Carlo Basin-Hopping algorithm employing the Gupta potential, followed by local relaxations. Variations in mixing energy were assessed to compare relative stability, revealing the lowest excess energy at Pd16Au16Rh6 composition at the Gupta level. Furthermore, a comprehensive analysis of local atomic pressure was conducted, exploring the factors influencing these pressures.

Unifying the temperature dependent dynamics of glass formers.

Strong changes in bulk properties, such as modulus and viscosity, are observed near the glass transition temperature, Tg, of amorphous materials. For more than a century, intense efforts have been made to define a microscopic origin for these macroscopic changes in properties. Using transition state theory (TST), we delve into the atomic/molecular level picture of how microscopic localized unit relaxations, or "cage rattles," evolve to macroscopic structural relaxations above Tg. Unit motion is broken down into two populations: (1) simultaneous rearrangement occurs among a critical number of units, nα, which ranges from 1 to 4, allowing a systematic classification of glass formers, GFs, that is compared to fragility; and (2) near Tg, adjacent units provide additional free volume for rearrangement, not simultaneously, but within the "primitive" lifetime, τ1, of one unit rattling in its cage. Relaxation maps illustrate how Johari-Goldstein β-relaxations stem from the rattle of nα units. We analyzed a wide variety of glassy materials and materials with a glassy response using literature data. Our four-parameter equation fits "strong" and "weak" GFs over the entire range of temperatures and also extends to other glassy systems, such as ion-transporting polymers and ferroelectric relaxors. The role of activation entropy in boosting preexponential factors to high "unphysical" apparent frequencies is discussed. Enthalpy-entropy compensation is clearly illustrated using the TST approach.

Measurement of the depth-dependent local dynamics in thin polymer films through rejuvenation of ultrastable glasses

The depth dependence of structural relaxation dynamics is a key part of understanding thin glassy films. Despite this importance and decades of research, a method to provide this information has proved elusive. We measure the isothermal rejuvenation of stable glass films of poly(styrene), and demonstrate that the propagation of the front responsible for the transformation to a supercooled-liquid state serves as a highly localized probe of the local dynamics of the supercooled liquid. We use this connection to probe the depth-dependent relaxation rate with nanometric precision for a series of polystyrene films over a range of temperatures near the bulk glass transition temperature. The analysis shows the spatial extent of enhanced surface mobility and reveals the existence of an unexpected large dynamical length scale in the system. The results are compared with the cooperative-string model for glassy dynamics. The data reveals that the film-thickness dependence of whole film properties arises mainly from the volume fraction of the near-surface region. While the dynamics farthest from the free surface shows the expected bulk-like temperature dependence, the dynamics in the near-surface region shows very little dependence on temperature. This technique can be used in a broad range of thin film materials to gain previously unattainable information about localized structural relaxation.

Different or the same? exploring the physicochemical properties and molecular mobility of celecoxib amorphous forms

The influence of different preparation methods on the physicochemical properties of amorphous solid forms have gained considerable attention, especially with recent publications on pharmaceutical polyamorphism. In the present study, we have investigated the possible occurrence of polyamorphism in the drug celecoxib (CEL) by investigating the thermal behavior, morphology, structure, molecular mobility and physical stability of amorphous CEL obtained by quench-cooling (QC), ball milling (BM) and spray drying (SD). Similar glass transition temperatures but different recrystallization behaviors were observed for CEL-QC, CEL-BM and CEL-SD using modulated differential scanning calorimetry analysis. A correlation between the different recrystallization behaviors of the three CEL amorphous forms and the respective distinct powder morphologies, was also found. Molecular dynamics simulations however, reveal that CEL presents similar molecular conformational distributions when subjected to QC and SD. Moreover, the obtained molecular conformational distributions of CEL are different from the ones found in its crystal structure and also from the ones found in the lowest-energy structure obtained by quantum mechanical calculations. The type and strength of CEL hydrogen bond interactions found in CEL-QC and CEL-SD systems are almost identical, though different from the ones presented in the crystal structure. Pair distribution function analyses and isothermal microcalorimetry show similar local structures and structural relaxation times, respectively, for CEL-QC, CEL-BM and CEL-SD. The present work shows that not only similar physicochemical properties (glass transition temperature, and structural relaxation time), but also similar molecular conformational distributions were observed for all prepared CEL amorphous systems. Hence, despite their different recrystallization behaviors, the three amorphous forms of CEL did not show any signs of polyamorphism.

Local Structure-Preserving Relaxation Method for Equilibrium of Charged Systems on Unstructured Meshes

Local Structure-Preserving Relaxation Method for Equilibrium of Charged Systems on Unstructured Meshes

Local strain heterogeneity associated with Al/Si ordering in anorthite, CaAl2Si2O8, with implications for thermodynamic mixing behavior and trace element partitioning in plagioclase feldspars

Abstract Hard Mode IR powder absorption spectroscopy has been used to characterize local strain relaxation associated with Al/Si ordering in a suite of synthetic anorthite samples with structural states that vary from a high degree of Al/Si order through a metastable incommensurate structure at intermediate states of order to long-range order with I1 symmetry. The dominant feature accompanying the changing structural states is line broadening, which has been quantified by autocorrelation analysis and is attributed to local heterogeneous strain variations on a length scale of at least 1–5 unit cells. The autocorrelation results are consistent with contributions to the line broadening as being due to order parameters for both the C1 → I1 and I1 → P1 transitions, which couple biquadratically, λQod2Qdispl2. Close correlation with enthalpy variations from previously published calorimetric data indicates that the driving force for ordering can be understood in terms of elimination of strain fields arising from accommodating more or less rigid AlO4 and SiO4 tetrahedra in the feldspar framework. The metastable incommensurate structure of anorthite is closely analogous to the stable incommensurate structure that develops at intermediate compositions in the plagioclase solid solution, confirming that the same strain relaxation mechanism dominates the properties and behavior of all structural states across the solid solution. Elimination of strain heterogeneity by ordering on the basis of I1 symmetry determines the form of non-ideal mixing shown by the solid solution at high temperatures, and changes in elastic properties may contribute to a break in the slope of partitioning of trace elements between crystals and melt.

Distributed Single-Source Shortest Path with Only Local Relaxation

Finding the shortest path from a source vertex to any other vertices on a graph (single-source shortest path, SSSP) is used in a wide range of applications. With the rapid expansion of graph data volume, graphs are too large to be stored and processed in a standalone machine. Therefore, performing SSSP distributively in the computer clusters becomes an inevitable way. We found that the performance of existing distributed SSSP algorithms is limited by the communication cost between workers, which is caused by global relaxation. To eliminate the expensive communication cost, we propose an efficient distributed SSSP algorithm LR-SSSP that replaces global relaxation with local relaxation. Furthermore, we propose two optimizations, i.e., lazy synchronization and forward relaxation, to reduce invalid synchronization and communication. Our results show that LR-SSSP can achieve up to 6–20× speedup over the state-of-the-art Δ-stepping++ algorithm.

The use of botulinum toxin in aesthetic procedures

Introduction: Botulinum toxin is a protein produced by the bacterium Clostridium botulinum. When administered orally in large quantities, it blocks nerve signals from the brain to the muscle, causing generalized paralysis, called botulism. However, by injecting very small amounts into a specific facial muscle, only the impulse that guides this muscle will be blocked, causing local relaxation. In this way, botulinum toxin acts as a blockade of the underlying muscles of the unwanted lines. In recent years, there has been an increase in the use of botulinum toxin in aesthetic procedures and knowledge about it is of great importance. Aim: The aim of this study was to demonstrate the use of botulinum toxin in aesthetic procedures. Methodology: This is a literature review study. Results: Botulinum toxin has been widely used in aesthetic procedures to temporarily reduce painful wrinkles, such as expression lines on the forehead, around the eyes (crow's feet) and between the eyebrows (glabella). Botulinum toxin is also used to treat gummy smiles, hyperhidrosis (excessive sweating) and facial asymmetry. Its aesthetic use provides a rejuvenated appearance and softens the marks of facial ageing. Clinical studies have shown positive results in terms of improved facial appearance and increased patient satisfaction with botulinum toxin procedures (CARRUTHERS, A., & CARRUTHER, J 2009). Conclusion: Botulinum toxin is extremely important in aesthetic procedures and requires a great deal of attention from professionals, as it brings great benefits if used correctly and in the correct dose.

Local relaxation of residual stress in high-strength steel welded joints treated by HFMI

This research studies the influence of high-peak loads on local relaxation of residual stress and fatigue damage in high-strength steel welded joints treated by high-frequency mechanical impact (HFMI) treatment. The joint behavior is simulated with elastic–plastic finite element analyses that account for the combined effect of geometry, residual stress, and material properties. This simulation uses two treated geometry models: with or without surface roughness on HFMI groove, and two material properties: S690QL and AH36 structural steels. The results show that surface roughness and load history, including high-peak loads, significantly influence fatigue response. It is revealed that the model neglecting the surface roughness cannot represent the amount of residual stress change and fatigue damage at less than 100 µm depth from the surface. In addition, the local yield strength in the HFMI-treated zone affects the plasticity behavior near the surface imperfection under the high-peak loads, which provides comparatively different fatigue damage between S690QL and AH36 in some cases. As a result, this study provides the further understanding needed to develop a robust modeling approach to the fatigue life estimation of HFMI-treated welds subjected to high-peak loads.