Search Results (21)

Voltage-gated sodium channels are central to electrical excitability, and Nav1.7 is a major therapeutic target implicated in pain disorders and sensory signaling. Within the channel pore, permeating Na⁺ ions experience dynamically fluctuating hydration and coordination environments that may influence local ion–protein interactions. Identifying chemically distinct coordination states from molecular dynamics (MD) simulations is an important prerequisite for future higher-level electronic structure investigations. In this study, we present a reproducible workflow for identifying and classifying Na⁺ hydration–coordination microstates in the Nav1.7 pore using explicit-solvent molecular dynamics simulations. A geometrically defined pore region was used to quantify pore hydration and Na⁺ inner-shell coordination based on a 3.2 Å Na–O distance criterion. Na⁺ configurations were classified according to ligand identity into water-only (W), mixed protein–water (PW), and protein-only (P) microstates. Analysis of a 2 ns proof-of-principle simulation revealed a persistently hydrated pore environment, with Na⁺ coordination dominated by water-rich states and a smaller but distinct population of protein-contact configurations. These observations demonstrate that local coordination environments are chemically heterogeneous and cannot be fully described by hydration number alone. Representative structures from each microstate class were extracted to provide candidate configurations for future quantum mechanical, Quantum Mechanics/Molecular Mechanics (QM/MM), or density functional theory investigations of ion–ligand interactions in confined pore environments. The present work establishes a transparent and reproducible microstate-selection framework and does not report quantum mechanical energies, free-energy landscapes, or converged microstate populations. More broadly, the workflow provides a practical strategy for reducing complex MD ensembles into chemically interpretable coordination states suitable for subsequent higher-level analysis. Full article

This paper develops an analytical treatment of vibro-acoustic wave propagation in a cylindrical waveguide containing two clamped elastic membranes and a central flexible-shell segment. The acoustic field obeys the time-harmonic Helmholtz equation, the shell motion is described by Donnell–Mushtari thin-shell theory under axisymmetric loading, and the membrane response is governed by classical membrane theory and incorporated through a tailored Galerkin scheme. The resulting coupled fluid–structure boundary-value problem is solved by the Mode-Matching Method: the acoustic potentials are expanded in orthogonal radial eigenfunctions within each subregion, and continuity of pressure, normal velocity, and structural displacement are enforced at every interface. The mirror symmetry of the configuration is exploited by an exact decomposition into symmetric and anti-symmetric sub-problems, each of which reduces to a truncated linear algebraic system of dimension $4N+4$ for the unknown modal amplitudes. Acoustic power-balance identities provide a quantitative consistency check on the numerical implementation and diagnose convergence with respect to the truncation order; structural damping is accommodated through complex-modulus substitutions for the shell and the membrane tension without altering the algebraic structure of the system. The numerical results demonstrate that the dual-membrane configuration delivers transmission-loss values exceeding $25\mathrm{dB}$ across the low-frequency band relevant to HVAC and automotive applications, with a representative plateau near $13\mathrm{dB}$ at the reference geometry, through resonance-driven modal coupling between the acoustic field and the compliant interfaces. Parametric studies identify the excitation frequency, the inner-membrane radius, the shell radius, and the chamber length as effective design parameters for tuning the attenuation. The formulation furnishes a unified and computationally efficient analytical tool for predicting and optimising noise attenuation in flexibly coupled cylindrical duct systems. Full article

Conventional quantum mechanics treats the electron as a point-like particle endowed with intrinsic properties—mass, charge, and spin—that are inserted as axioms rather than derived from first principles. Here, we propose a thermodynamic reformulation of the electron grounded in entropy field dynamics, based on S-Theory. In this framework, the electron is composed of three distinct entropic components: S_core (a collapsed entropy core from configurational mass), S_EM (a structured electromagnetic entropy field from charge), and S_thermal (a diffuse entropy component from ambient interactions). We show that spin emerges as a rotating S_EM shell around S_core, and that electron collapse—as in quantum measurement—can be modeled as a Recursive Amplification of Sfield (RAS) process driven by entropic feedback. Through mathematical formulation and high-resolution simulations, we demonstrate how the S-field components evolve under entropic excitation, culminating in a collapse threshold defined by local entropy density matching. This model not only explains the emergence of quantum properties but also offers a thermodynamic mechanism for electron–photon interaction, wavefunction collapse, and spin generation, revealing the inner structure and dynamics of one of nature’s most fundamental particles. Full article

We report experimental measurements of the absolute photoionization cross sections for chlorine ions in different stages of ionization, over photon energy ranges corresponding to the L-shell (2s and 2p subshells) excitations. Single, double and triple photoionization channels were investigated for the ions Cl⁺, Cl²⁺, Cl³⁺ and Cl⁴⁺. The measurements were performed on the PLéIADES beamline at the SOLEIL radiation storage ring facility, using the Multi-Analysis Ion Apparatus (MAIA). Resonance energies and line strengths are provided for the isonuclear sequence and the evolution of the inner shell photoionization behaviour is demonstrated for the chlorine ions as the degree of ionization is increased. While dominated by photoionization from the corresponding ground state ions, the photoion yields may also contain contributions from low-lying metastable states. The results provide useful data on these ions for plasma modelling and can serve as benchmarking experimental data for future atomic theoretical calculations. Full article

Lately the nonlinear optical third-harmonic generation (THG) microscopy is starting to emerge as a laboratory standard for label-free studies in biological samples. In this study, the THG signals produced from corn starch granules are investigated. In particular, the polarization-dependent THG (P-THG) signals emerging from the outer layer (shell) of the starch granules are compared with the P-THG signals originating from their inner portion (core). By rotating the linear polarization of the excitation beam, two distinct P-THG modulation patterns are revealed within single granules, corresponding to their shells and to their structurally different cores. These patterns are analyzed using a theoretical framework that describes THG from an orthorhombic crystal symmetry, characteristic of corn starch. This allows us to extract point-by-point in the granules the ratios of the ${\chi }^{\left(3\right)}$ susceptibility tensor elements and the average molecular orientations. Then, the anisotropy ratio (AR = ${\chi }_{xxxx}^{\left(3\right)}$/${\chi }_{yyyy}^{\left(3\right)}$) is defined and used as a quantitative descriptor of the local molecular arrangements. Our results show that the shells and cores exhibit distinct AR values, probing the anisotropy in the molecular arrangements between the two regions. This study establishes P-THG as a powerful contrast mechanism for probing structural anisotropy in biological samples beyond conventional THG intensity-only microscopy. Full article

Low-frequency acoustic logging transducers are pivotal to far-acoustic imaging logging technology and permeability logging technology. This study presents a monopole acoustic transducer driven by electromagnetic force, exploiting the low-frequency vibration characteristics of a flextensional shell. Finite element simulations were employed to evaluate multiple magnetic circuit configurations under dimensional constraints typical of logging tools. An inner magnet circuit was selected and optimized through parametric analysis. Concurrently, the vibration shell was designed and simulated under borehole conditions, accompanied by the development of a dedicated excitation circuit. The fabricated prototype (64 mm outer diameter, 154 mm height, 100 mm shell height) demonstrated operation frequency at 1300 Hz with a sound pressure level of approximately 150 dB and uniform circumferential radiation, satisfying the requirements of logging applications. Full article

Auger decay of all levels of the double core-hole states $4d^{-2}$ of Xe²⁺, including collective Auger decay (CAD) pathways, is investigated using the relativistic distorted-wave approximation. Large-scale configuration interaction calculations were performed to obtain level-to-level Auger decay rates. In addition to the typical Auger decay final levels associated with the configurations of $4d^{-1}5s^{2}5p^4$, $4d^{-1}5s^{1}5p^5$, and $4d^{-1}5s^{0}5p^6$, evident contributions are identified from excited channels, leading to configurations such as $4d^{9}4f^{1}5s^{2}5p^3$, $4d^{9}5s^{2}5p^{3}5d^1$, $4d^{9}5s^{2}5p^{3}6s^1$, and $4d^{9}5s^{2}5p^{3}6p^1$. These contributions arise from strong electron correlation between the valence electronic orbitals and the $4d$ inner-shell orbital. The CAD rates and branching ratios (BRs) are determined for each double core-hole level with a minimum CAD BR of 1.28% and a maximum of 4.08% among all CAD channels. The configuration-averaged CAD BR is predicted to be 1.93%, which helps explain recent unexplained experimental findings. The inclusion of CAD processes enriches Auger electron spectroscopy, thereby extending potential applications of this important experimental tool in both fundamental and applied research. Full article

Acoustic scattering is a highly effective tool for non-destructive control and structural analysis. In many real-world applications, understanding acoustic scattering is essential for accurately detecting and characterizing defects, assessing material properties, and evaluating structural integrity without causing damage. One of the most critical aspects of characterizing targets—such as plates, cylinders, and tubes immersed in water—is the analysis of the phase and group velocities of antisymmetric circumferential waves (A₁). Phase velocity helps identify and characterize wave modes, while group velocity allows for tracking energy, detecting, and locating anomalies. Together, they are essential for monitoring and diagnosing cylindrical shells. This research employs a Sugeno fuzzy inference system (SFIS) combined with a Fuzzy Subtractive Clustering (FSC) identification technique to predict the velocities of antisymmetric (A₁) circumferential signals propagating around an infinitely long cylindrical shell of different b/a radius ratios, where a is the outer radius, and b is the inner radius. These circumferential waves are generated when the shell is excited perpendicularly to its axis by a plane wave. Phase and group velocities are determined by using resonance eigenmode theory, and these results are used as training and testing data for the fuzzy model. The proposed approach demonstrates high accuracy in modeling and predicting the behavior of these circumferential waves. The fuzzy model’s predictions show excellent agreement with the theoretical results, as confirmed by multiple error metrics, including the Mean Absolute Error (MAE), Standard Error (SE), and Mean Relative Error (MRE). Full article

As a pivotal component of the single-gear reducer, the casing of the miniature car reducer not only safeguards the internal transmission system but also interfaces seamlessly with the external structure. Currently, the structural design of domestic single-stage reducers primarily leans on experience and standardized specifications. To guarantee the reliable and stable operation of the casing, a high safety factor is often incorporated, which inevitably results in increased weight and necessitates secure bolting connections. This study presents an innovative scheme to design the flange with the box and realize the lightweight nature of the box by finite element analysis to reduce the manufacturing cost. Based on the working state of maximum torque and maximum speed, this study obtains the stress distribution of each bearing seat under different working conditions and carries out static and dynamic analysis combined with other coupling constraints. The analysis results show that the structure has high stiffness and strength, which is suitable for lightweight design, and that the first ten spontaneous vibration frequencies are far away from the excitation frequency of the inner and outer boundary, avoiding the resonance phenomenon. Moreover, this study proposes a new structure design method, which effectively improves the stiffness of the structure. Through the calculation of volume ratio before and after three optimizations, the optimal volume ratio of 30% is selected, unnecessary materials around the bearing seat are removed, and the layout of ribs is determined. After structural optimization, the weight of the shell is reduced by 10.2%, and both the static and dynamic characteristics meet the design requirements. Full article

Simulated (or measured) photoabsorption spectra often provide the first indication of how matter interacts with light when irradiated by some radiation source. In addition to the direct, often slowly varying photoabsorption cross-section as a function of the incident photon frequency, such spectra typically exhibit numerous resonances and edges arising from the interaction of the radiation field with the subvalence or even inner-shell electrons. Broadly speaking, these resonances reflect photoexcitation, with its subsequent fluorescence, or the autoionization of bound electrons. Here, a (relativistic) cascade model is developed for estimating the photoabsorption of (many) atoms and multiply charged ions with a complex shell structure across the periodic table. This model helps distinguish between level- and shell-resolved, as well as total photoabsorption, cross-sections, starting from admixtures of selected initial-level populations. Examples are shown for the photoabsorption of C⁺ ions near the 1s − 2p excitation threshold and for Xe²⁺ ions in the photon energy range from 10 to 200 eV. While the accuracy and resolution of the predicted photoabsortion spectra remain limited due to the additive treatment of resonances and because of missing electronic correlations in the representation of the levels involved, the present implementation is suitable for ions with quite different open-shell structures and may support smart surveys of resonances along different isoelectronic sequences. Full article

Mineral fluorescence under different portions of the visible and invisible light spectrum has a long history of scientific study. In our study of marine sediments from the Georgia Bight, we have utilized the blue portion of the light spectrum in the 445 nanometer (nm) range. The use of fluorescence has proven very useful in microscopic analyses of carbonate minerals. While the sediment prism of the inner-to-mid continental shelf in the southeastern Atlantic is predominantly siliceous, the dissolution and deterioration of marine shell contribute a significant amount to the fabric of any sediment sample. Together with carbonate minerals such as dolomite, eroded from basement rock and redeposited on the shelf, a potentially robust fluorescent response was expected and observed in samples. In marine sediments, blue light illumination has produced an easily observed fluorescent response in both underwater and in laboratory settings. This fluorescence can be attributed to carbonate minerals—calcite/aragonite. Feldspars are major accessory minerals in the sediment prism of the Georgia Bight, and much of the observed fluorescence in our samples can be attributed to their presence. To identify specific minerals responsible for any observed fluorescence, X-ray diffraction and energy dispersive spectroscopy were utilized. This combined methodology of luminescent excitation, X-ray diffractometry and spectroscopy has produced the results reported herein. Full article

This research examines a semi-analytical approach for analyzing the nonlinear vibration (NV) characteristics of oblique-stiffened multilayer functionally graded (OSMFG) cylindrical shells (CSs) under external excitation. The material’s properties are continuously graded along the thickness direction. The CSs are made up of three layers: an inner metal-rich layer, an exterior ceramic-rich layer, and a functionally graded (FG) layer in between. The stiffeners’ constitutive material is graded constantly throughout their thicknesses. von Kármán equations, the smeared stiffener technique, and the Galerkin approach are used to address the NV problem. The vibration behavior is investigated via the method of multiple scales (MMSs). The analysis considers an internal resonance of 1:1/3:1/9 as well as a superharmonic resonance of order 3/1. The impacts of various material and geometric characteristics on the NV of OSMF-CSs are thoroughly investigated. Full article

The generally accepted pathway to Local Thermodynamic Equilibrium (LTE) in atomic physics, where collision rates need to be much larger than radiative decay rates, is extended to complex autoionizing states. It is demonstrated that the inclusion of the non-radiative decay (autoionization rate) on the same footing, like radiative decay, i.e., the LTE criterion $n_{e,crit}\times C\gg A+\Gamma$ ($n_{e,crit}$ is the critical electron density above which LTE holds, $C$ is the collisional rate coefficient, and $A$ is the radiative decay rate) is inappropriate for estimating the related critical density. An analysis invoking simultaneously different atomic ionization stages identifies the LTE criteria as a theoretical limiting case, which provides orders of magnitude too high critical densities for almost all practical applications. We introduced a new criterion, where the critical densities are estimated from the non-autoionizing capture states rather than from the autoionizing states. The new criterion is more appropriate for complex autoionizing manifolds and provides order of magnitude reduced critical densities. Detailed numerical calculations are carried out for Na-like states of aluminum, where autoionization to the Ne-like ground and excited state occurrences are in excellent agreement with the new criterion. In addition, a complex multi-electron atomic-level structure and electron–electron correlation are identified as simplifying features rather than aggravating ones for the concept of thermalization. Full article

The acoustic radiation characteristics of pipeline structures caused by turbulent fluctuating pressure are among the most important acoustic radiation sources in vessel cabins. Studying the vibro-acoustic characteristics of pipeline structures is of great relevance to engineering. The turbulence fluctuation pressure of pipeline structures’ inner surfaces was numerically analyzed by using the large eddy simulation (LES) method. At first, the vibro-acoustic differential equation of the pipeline structure system was derived by defining the fluctuation pressure as the excitation loading. According to the acoustic radiation characteristic in the quarter-infinite space, which had a combination of two rigid wall interfaces at the same time for the pipeline structures in the vessel cabins, the double reflection method, mirror image method and elastic wave Graf addition principle were applied, and the analytical function of the acoustic radiation for the cylindrical shell was derived. For the pipeline structures in the quarter-infinite acoustic space, for example, the numerical calculation for the acoustic radiation of cylindrical shell was carried out, which was excited by the turbulent pulsating pressure. Finally, the influence of inner flow velocity, frequency, and pipeline installation position were compared using numerical analysis. The results can provide technical support for the acoustic design of pipeline structure systems with complex acoustic boundaries. Full article

β-Ga₂O₃ nanostructures are attractive wide-band-gap semiconductor materials as they exhibit promising photoelectric properties and potential applications. Despite the extensive efforts on β-Ga₂O₃ nanowires, investigations into β-Ga₂O₃ nanotubes are rare since the tubular structures are hard to synthesize. In this paper, we report a facile method for fabricating β-Ga₂O₃ nanotubes using pre-synthesized GaSb nanowires as sacrificial templates. Through a two-step heating-treatment strategy, the GaSb nanowires are partially oxidized to form β-Ga₂O₃ shells, and then, the residual inner parts are removed subsequently in vacuum conditions, yielding delicate hollow β-Ga₂O₃ nanotubes. The length, diameter, and thickness of the nanotubes can be customized by using different GaSb nanowires and heating parameters. In situ transmission electron microscopic heating experiments are performed to reveal the transformation dynamics of the β-Ga₂O₃ nanotubes, while the Kirkendall effect and the sublimation process are found to be critical. Moreover, photoelectric tests are carried out on the obtained β-Ga₂O₃ nanotubes. A photoresponsivity of ~25.9 A/W and a detectivity of ~5.6 × 10¹¹ Jones have been achieved with a single-β-Ga₂O₃-nanotube device under an excitation wavelength of 254 nm. Full article