Accepted
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Abstract +
Identifying the most influential nodes in the spreading process in complex networks is crucial in many applications, such as accelerating the diffusion of information and suppressing the spread of viruses or rumors. Existing methods for identifying influential spreaders have their limitations: classical network centrality methods rely solely on local or global topology to predict node influence; traditional machine learning and deep learning methods are not suitable for graph-structured data; and existing graph neural network-based methods neglect the dynamic characteristics of the propagation process itself. However, researches have pointed out that a node’s spreading influence does not only depend on its structural location, but is also significantly influenced by the dynamics of the spreading process itself. In this paper, we propose a Propagation Dynamics Graph Neural Network (PDGNN) that integrates the dynamic features of the propagation process and the structural features of nodes to identify influential nodes. Specifically speaking, based on the Susceptible-Infected-Recovered (SIR) propagation model, the dynamic infection features and potential infection capacity of nodes are extracted from the epidemic spreading process. Then a high-dimensional feature vector consisting of the embedding and the degree of the local transmission tree, and the dynamic sensitivity centrality of each node is constructed and used as the input to the graph neural network. To deal with the problem of imbalanced numbers between critical nodes and non-critical nodes in training the model and optimizing the output, an optimized loss function is designed, which combines Focal Loss with Mean Squared Error. Experimental results on two synthetic networks and seven real-world networks show that PDGNN outperforms classical centrality methods, traditional machine learning and deep learning-based methods, and existing graph neural network-based methods in identifying influential nodes in the spreading process in complex networks. The performance of PDGNN is robust when the infection rate and the size of the training set change. Under a wide range of infection rates, the proposed PDGNN can accurately identify influential spreaders. Even when the training set is 30% of the total dataset, the imprecision of PDGNN is small in all nine studied networks.
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Diamond coating has many excellent properties such as extreme hardness, high elastic modulus, high thermal conductivity, low friction coefficient, low thermal expansion coefficient, and good corrosion resistance that are close to natural diamond, making it an ideal new type of wear-resistant tool coating material. However, a large number of experiments have proved that during the deposition of diamond coating, the bonding phase cobalt on the surface of impregnated diamond substrate will generate a layer of graphite at the interface, seriously weakening the adhesive strength between the substrate and the coating. To thoroughly solve this problem, it is necessary to research the theory and microscopic process of graphitization caused by the Co element embedded on the substrate surface. Therefore, this article adopts the first principle theroy to simulate and analyze the interfacial adhesive strength of diamond coating when Co atom is embedded at different depths on the surface of impregnated diamond substrate, in order to explore the influence mechanism of the bonding phase Co element in the substrate on the diamond coating and the
mechanism of Co promoting diamond graphitization. The calculation results show that the interfacial binding energy decreases first and then increases with the increase of Co embedding depth in the substrate. When Co atom is embedded in the third layer, obvious graphite structures are prone to appear at the interface, and Co promotes diamond graphitization most significantly, resulting in the minimum bonding strength between the film and substrate interface. The results of structure and charge indicate that under the influence of surface effect and Co-C bond length, the C atom in the second layer of the substrate move to the first layer and the hybridization mode changes from sp3 to sp2. Meanwhile, this movement leads to an increase in the interaction space and quantity between Co and the surrounding C atoms. In addition, there are many unpaired electrons in the Co valence layer, which can easily mix and rearrange electron orbitals with the surrounding C atoms, ultimately resulting in a graphite structure on the substrate surface. When Co is embedded in the fifth layer, it no longer affects the stable configuration of the substrate surface and the interfacial adhesive strength.
Abstract +
Microinverters have been widely used in distributed photovoltaic (PV) systems in recent years due to their modularity and flexibility. However, the current development of microinverter topologies faces significant challenges, such as low voltage gain and limited reliability. To address these problems, this paper proposes an Enhanced Switched-Inductor quasi-Z-Source inverter (ESL-qZSI) based on Gallium Nitride High Electron Mobility Transistor (GaN HEMT). The proposed inverter introduces a novel topology that integrates an auxiliary boost unit with a switched-inductor quasi-Z-source network. This topology significantly enhances the voltage gain under low shoot-through duty ratios and reduces the voltage stress across the switching devices. Additionally, the use of GaN HEMT as power switching components increases the switching frequency from the conventional 10 kHz to 100 kHz, in which a specialized negative turn-off gate driver circuit is proposed to adapt the characteristics of the GaN HEMT and to ensure reliable switching operation. This increase in frequency reduces the size of passive components, such as inductors. Experimental results show that the proposed inverter achieves a boost factor of 5.75 at a shoot-through duty ratio of 0.2, which indicates a 15% improvement and a 91% improvement greater than the results of the conventional switched-inductor-capacitor quasi-Z-source inverter (SLC-qZSI) and the conventional switched-inductor Z-source inverter (SL-ZSI), respectively. These results confirm that the proposed inverter enhances the voltage gain of existing topologies. Besides, compared with SLC-qZSI, the proposed inverter could obtain a higher efficiency of 90.5%, which exhibites the advantage of efficiency. In conclusion, the proposed ESL-qZSI with GaN HEMT provides a promising solution for high-efficiency and compact microinverter systems in photovoltaic applications.
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Infrared focal plane array (IRFPA) detector, a key research focus in next-generation infrared detection technology, plays a crucial role in optoelectronic sensing. Here, we report the integration and reliability of a PbSe-based IRFPA employing a row-column scanning readout architecture. The design features a surface passivation layer and through-hole structures to ensure robust electrical connectivity, enhancing both stability and performance. The detector, with dimensions of 3.5 mm×3.5 mm, a pixel size of 200 μm x 100 μm, and a pixel pitch of 200 μm, demonstrates structural integrity validated by electro-thermal simulations. At room temperature, pixel-level and imaging assessments reveal an average detectivity of 9.86×109 Jones and a responsivity of 1.03 A/W, with a 100% effective pixel yield. Remarkably, the device retains high stability, exhibiting only a 3.6% performance decline after 150 days of air exposure, attributed to the protective effects of the passivation layer. Infrared imaging across varied light intensities shows pronounced contrast, confirming the detector’s sensitivity to illumination gradients. These results offer critical technical insights and a theoretical framework for advancing high-performance, stable PbSe-based IRFPA detectors.
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Medium-entropy alloys (MEAs), known for their outstanding strength and ductility, offer great potential for high strain-rate applications. This study focuses on a NiCoV-based MEA system, where a novel alloy design strategy was proposed by introducing 5 at.% high-melting-point tungsten through vacuum arc melting coupled with thermomechanical processing to fabricate the (NiCoV)95 W5 alloy. Split Hopkinson pressure bar (SHPB) experiments were conducted to elucidate the dynamic response mechanisms and deformation behavior under high strain rates (2000-6000 s-1). The results show that the enhanced phonon drag effect at elevated strain rates, caused by severe lattice distortion, leads to a substantial increase of 162% in yield strength from 720 MPa (10-3 s-1) to 1887 MPa (6000 s-1), accompanying with a relatively high strain-rate sensitivity (m = 0.42); Microscopic analysis revealed the multi-scale cooperative deformation mechanism of the alloy system under high strain rate. When the strain rate is 2000 s-1, the alloy exhibits a low dislocation density dominated by dislocation planar slip. As the strain rate rises to 4000 s-1, elevated flow stress and deformation promote substantial dislocation multiplication and entanglement into high-density dislocation cells. Dislocation pile-up stress induces co-deformation of precipitates and releases stress concentration at the phase interface. Upon further increasing the strain rate to 6000 s-1, severe plastic deformation induces nano-twin formation within the matrix, as prevailing strain hardening. This study illustrates the tungsten-doping mediated dynamic response mechanisms in MEAs, providing a guidance for designing novel structural materials with excellent dynamic mechanical responses.
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The transition of Ga+ ions from 4s² ¹S₀ to 4s4p ³P₀ has advantages such as a high quality factor and a small motional frequency shift, making it suitable as a reference for precision measurement experiments like optical clocks. Calculating the dynamic polarizability of 4s21S0-4s4p 3P0 transition for Ga+ ion is of great significance for exploring the potential applications of the Ga+ ion in the field of quantum precision measurement and for testing atomic and molecular structure theories. In this paper, the dynamic polarizability of the Ga+ ion 4s² ¹S₀ - 4s4p ³P₀ transition is theoretically calculated using the relativistic configuration interaction plus many-body perturbation (CI+MBPT) method. The "tune-out" wavelength for the 4s² ¹S₀ state and the 4s4p ³P₀ state, as well as the "magic" wavelength for the 4s² ¹S₀ - 4s4p ³P₀ transition, are also computed. It is observed that the resonant lines situated near a certain “turn-out” and “magic” wavelength can provide dominant contributions to the polarizability, while the remaining resonant lines generally contribute minimally. These " tune-out " and "magic" wavelengths provide theoretical guidance for precise measurements and are important for studying the atomic structure of Ga+ ions. The accurate determination of the difference in static polarizability between the 4s² ¹S₀ and 4s4p ³P₀ states is of significant importance. Additionally, based on the "polarizability scale" method, the paper discusses how the theoretical calculation errors in static polarizability measurements vary with wavelength, offering theoretical guidance for the further high-precision determination of the static polarizability of the 4s² ¹S₀ and 4s4p ³P₀ states. This is crucial for minimizing the uncertainty of the blackbody radiation (BBR) frequency shift in Ga+ optical clock and suppressing the systematic uncertainty.
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Although the molecular strong-field approximation (SFA) theory has achieved significant achievements in characterising the ultrafast dynamics of molecules in strong laser fields, there are fundamental contradictions in the system itself. On the one hand, the basic principle of SFA requires that the initial state be an eigenstate of the system in the absence of the field, and on the other hand, the spatial translation invariance of the physical process requires that the initial state of the system should be a laser-field-dressed state, and these two contradictory requirements correspond to the two forms of molecular SFA theories, namely, the undressed and the dressed states, respectively, and the two theoretical validity and applicability conditions of these are widely disputed. In this paper we investigate the ionization processes of N2 and Ne2 molecules in (elliptically) circularly polarized laser fields, with the expectation of providing an answer to the above controversies. Elliptically polarized laser can efficiently suppress the re-scattering process and the influence of various interference effects, which makes the ionization process cleaner, and thus can effectively screen the applicable conditions for the dressed and undressed states. We have calculated the photoelectron momentum distributions corresponding to different molecular orbitals in the dressed and undressed states by using the strong-field approximation (SFA) and the Coulomb-corrected strong-field approximation (CCSFA) and compared them with the previous experimental results. For molecules with large nuclear spacing such as Ne$_{2}$, we find that the dressed state is necessary to accurately characterise their ionization, whereas for molecules with small nuclear spacing such as N$_{2}$, the dressed state description is not applicable. The conclusions of this paper provide a reference for the accurate description of laser-induced molecular ultrafast processes and the further development of the corresponding theories, and provides a reference for the further development of molecular ultrafast imaging schemes.
Abstract +
Understanding the oxygen bubble evolution on the electrode surface is important to enhance the efficiency of large-scale water decomposition. In this paper, a numerical model for the growth of oxygen bubbles on the electrode surface based on the dissolved oxygen flux at the bubble boundary is proposed, and the mechanisms of the reaction area and current on the bubble growth are investigated. The results show that the bubble diameters calculated from the oxygen flux at the bubble boundary are in good agreement with the growth of the bubbles in the control phase of the chemical reaction. As the reaction region increases, the transition time from the diffusion-controlled to the chemical reaction-controlled stage becomes longer during the bubble growth. The concentration maximum on the microelectrode surface is significantly higher than that on the large electrode surface, which leads to a steeper concentration gradient between the microelectrode surface and the bubble surface. As the current increases, the bubble growth rate increases and the time coefficient decreases faster. The bubble diameter at a current of 0.06 mA agrees well with the bubble diameter at a current of 0.1 mA in the photoelectrochemical water splitting experiments. This is because the scattering of light by the growing bubbles leads to a decrease in the current density at the bottom of the bubble.
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Abstract +
The monolayer ferroelectric semiconductor Ga2S3 has drawn extensive attention because of its outstanding ductility, extremely high carrier mobility and unique out-of-plane asymmetric polarization characteristics. Utilizing out-of-plane asymmetric polarization characteristics of Ga2S3, we construct the T-NbTe2/Ga2S3ferroelectric heterojunctions. By the first-principles calculations, we systemically study structural stability, preparation possibility and electrical contact properties for various ferroelectric heterojunction T-NbTe2/Ga2S3 with the different polarization directions of Ga2S3. We find that heterojunctions T-NbTe2/Ga2S3exhibit sensitive responses to out-of-plane asymmetric polarization characteristics of Ga2S3. The most energy-stable heterojunctions PD1 ($\vec{P}$ downward) and PU2 ($\vec{P}$ upward) in the intrinsic state form N-type and P-type Schottky contacts, respectively. Changing the polarization characteristics of the ferroelectric semiconductor Ga2S3 can alter the contact type of the Schottky barrier in the ferroelectric heterojunction T-NbTe2/Ga2S3, which provide a practical approach for designing multifunctional Schottky devices. Specifically, the electrical contact depends on the external electric field. For heterojunctions PD1 (PU2), the contact can be transited from Schottky contact to Ohmic contact at electric field strength +0.5 V/Å (+0.6 V/Å). Besides electric field, the contact property of both heterojunctions PD1 and PU2 may also be tuned by external biaxial strain. For heterojunctions PD1, the contact can be transited from Schottky contact to Ohmic contact at the biaxial strain tensile 8%. And for heterojunctions PU2, the contact can be transited from P-type Schottky contact to N-type Schottky contact at the biaxial strain tensile 2%, then from N-type Schottky contact to Ohmic contact at the strain tensile 10%.These results provide a theoretical reference for two-dimensional ferroelectric nanodevices with high-performance electrical contact interfaces.
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Abstract +
Secondary hardening ultra-high-strength steel is widely utilized in aerospace and other advanced engineering applications, with the nanoscale M2C precipitates serving as the primary strengthening factor. Mo plays a crucial role in the formation of the Mo2C secondary hardening phase, which can form composite M2C precipitates with elements such as Cr, V, and W, thereby modifying the composition and properties of Mo2C. To investigate the effects of V and W doping on Mo2C, this study employs first-principles calculations to analyze the formation enthalpy, electronic structure, and mechanical properties of the doped systems. The CASTEP module is utilized in this study, with the Perdew-Burke-Ernzerhof (PBE) functional adopted within the generalized gradient approximation (GGA) framework. The results indicate that V doping reduces the lattice parameters and decreases the formation enthalpy, thereby enhancing structural stability. In contrast, W doping increases the lattice parameters and lowers the formation enthalpy but leads to reduced structural stability. In terms of mechanical properties, V doping decreases toughness while increasing hardness, whereas W doping improves the strength-toughness balance by mitigating the rate of hardness reduction. Covalent bonds are formed within the system, with V and W doping altering their characteristics: compared to the C-Mo bond, the C-V bond exhibits weaker covalency, while the C-W bond displays stronger covalency. Additionally, V doping enhances the stability of Mo-C bonds, whereas W doping reduces their stability. Charge population analysis reveals that metal atoms (Mo, V, and W) act as electron donors, while carbon atoms act as electron acceptors.
Abstract +
The energy band theory of acoustic crystal provides an important theoretical foundation for controlling the features of sound fields. By utilizing the acoustic flat bands, we can effectively modulate the sound wave to realize the acoustic localization and diffusion. In this work, we employ an artificial gauge field to design a system supporting multiple acoustic flat bands, leading to the emergence of diversified acoustic localizations. Initially, we use cavity resonators, linked with different connectivity based on the field profiles of acoustic resonators, to emulate coupled Pz-dipole modes of atomic orbitals.
According to the band order of in-phase and out-of-phase modes in two coupled cavities, we can confirm that the cross-linked and V-shaped-linked tube structures can achieve the positive coupling and negative coupling, respectively. By introducing both positive and negative couplings in a rhombic loop, a synthetic gauge field can be formed due to the π flux phase accumulation of acoustic wave in the loop. Correspondingly, the different geometric phases of acoustic wave in different paths are analogous to the Aharonov-Bohm caging effect. Due to the Aharonov-Bohm caging effect, the introduce of π-flux in a rhombic loop causes the dispersion bands to collapse into dispersionless flat bands, providing the opportunity to control the localizations of sound fields. According to the finite structures of the cases with and without gauge fluxes, we analyze the eigenmodes and energy ratios to investigate the sound field distributions. Compared with the zero-flux structure, we find that the acoustic localization can be realized at the bulk and edge of the finite rhombic sonic crystal after introducing the artificial gauge field with π flux in each plaquette. Here the localized states, induced by Aharonov-Bohm caging effect, are topologically immune to symmetrical structure disorder, indicating that the localized mode relies on the topological feature of π-flux artificial gauge field. Additionally, based on the excitation of flat band eigenstates, the acoustic flat band bound states corresponding to different eigenstates can be obtained. By superimposing acoustic flat band bound states, we can manipulate the amplitude and phase of sound wave at specific locations, realizing the composite flat band bound states with rich acoustic field patterns. Therefore, we achieve distinct types of acoustic localized states in an acoustic topological Aharonov-Bohm cage. These localized states can be excited at any primitive cell of the rhombic lattices, and possess the remarkable ability to trap sound waves at different bulk gap frequencies, which achieves the broadband sound localizations. At the eigenfrequencies of flat bands, the localized states will transform into the extended states, exhibiting acoustic filtering functionality. Therefore, the acoustic Aharonov-Bohm cage is promising for applications at both bandgap and flat band frequencies. The findings of our study offer the theoretical guidance for exploring the acoustic localized states with artificial gauge field, and may lead to potential applications on acoustic control devices.
According to the band order of in-phase and out-of-phase modes in two coupled cavities, we can confirm that the cross-linked and V-shaped-linked tube structures can achieve the positive coupling and negative coupling, respectively. By introducing both positive and negative couplings in a rhombic loop, a synthetic gauge field can be formed due to the π flux phase accumulation of acoustic wave in the loop. Correspondingly, the different geometric phases of acoustic wave in different paths are analogous to the Aharonov-Bohm caging effect. Due to the Aharonov-Bohm caging effect, the introduce of π-flux in a rhombic loop causes the dispersion bands to collapse into dispersionless flat bands, providing the opportunity to control the localizations of sound fields. According to the finite structures of the cases with and without gauge fluxes, we analyze the eigenmodes and energy ratios to investigate the sound field distributions. Compared with the zero-flux structure, we find that the acoustic localization can be realized at the bulk and edge of the finite rhombic sonic crystal after introducing the artificial gauge field with π flux in each plaquette. Here the localized states, induced by Aharonov-Bohm caging effect, are topologically immune to symmetrical structure disorder, indicating that the localized mode relies on the topological feature of π-flux artificial gauge field. Additionally, based on the excitation of flat band eigenstates, the acoustic flat band bound states corresponding to different eigenstates can be obtained. By superimposing acoustic flat band bound states, we can manipulate the amplitude and phase of sound wave at specific locations, realizing the composite flat band bound states with rich acoustic field patterns. Therefore, we achieve distinct types of acoustic localized states in an acoustic topological Aharonov-Bohm cage. These localized states can be excited at any primitive cell of the rhombic lattices, and possess the remarkable ability to trap sound waves at different bulk gap frequencies, which achieves the broadband sound localizations. At the eigenfrequencies of flat bands, the localized states will transform into the extended states, exhibiting acoustic filtering functionality. Therefore, the acoustic Aharonov-Bohm cage is promising for applications at both bandgap and flat band frequencies. The findings of our study offer the theoretical guidance for exploring the acoustic localized states with artificial gauge field, and may lead to potential applications on acoustic control devices.
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Abstract +
The W state, as a robust multipartite entangled state, plays an important role in quantum information processing, quantum network construction and quantum computing. In this paper, the three-level ladder-type Rydberg atomic system is put into the Rydberg blocking ball to form a superatom. Each superatom has many collective states including just one Rydberg excitation constrained by the Rydberg blockade effect. In the weak cavity field limit, at most one atom can be pumped into excited state, then we can describe the superatom by a three-level ladder-type system. Afterwards we encode quantum information on the effective energy levels of Rydberg superatoms and propose a fast scheme for preparing the Rydberg superatom W state based on the superadiabatic iterative technique and quantum Zeno dynamics, this scheme can be achieved in only one step by controlling the laser pulses. In the current scheme, the superatoms are trapped in spatially separated cavities connected by optical fibers, which significantly enhances the feasibility of experimental manipulation. A remarkable feature is that it does not require precise control of experimental parameters and interaction time. Meanwhile, the form of counterdiabatic Hamiltonian is the same as that of the effective Hamiltonian. Through numerical simulations, the fidelity of this scheme can reach 99.94$\%$. Even considering decoherence effects, including atomic spontaneous emission and photon leakage, the fidelity can still exceed 97.5$\%$, further demonstrating the strong robustness of the solution. In addition, the Rabi frequency can be characterized as a linear superposition of Gaussian functions, this representation significantly alleviates the complexity encountered in practical experiments. Futhermore, we also analyzed the impact of parameter fluctuations on the fidelity, the results show that this scheme is robust against parameter fluctuations. At last, the present scheme is extended to the cases of $N$ Rydberg superatoms, which shows the scalability of our scheme.
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Abstract +
Charge balances will influence the emission efficiency of exciplex-based organic light-emitting diodes (OLEDs), but physical mechanisms behind this phenomenon lack full understandings. Here, organic magnetic field effects (OMFEs) including magneto-conductance (MC), magneto-electroluminescence (MEL), and magneto-efficiency (Mh ) are used as fingerprint probing tools to study physical mechanisms of charge balances affecting the emission efficiency of exciplex-based OLEDs. Specifically, low- and high-field effects of MC traces [MCL (|B| £ 10 mT) and MCH (10 <|B|£ 300 mT)] from the unbalanced device are separately attributed to the magnetic field (B)-mediated intersystem crossing (ISC) process and the B-mediated triplet-charge annihilation (TCA) process between triplet exciplex states and excessive charge carriers, whereas those from the balanced device are respectively attributed to the B-mediated reverse intersystem crossing (RISC) process and the balanced carrier injection. As the injection current decreases from 200 to 25 mA, low-field effects of MEL traces (MELL) form the unbalanced device always reflect the B-mediated ISC process, but those from the balanced device exhibit a conversion from ISC to RISC processes. Furthermore, although low-field effects of Mh traces (Mh L) from both unbalanced and balanced devices are attributed to the B-mediated ISC process, Mh L values are ~4 times lower in the balanced device than the unbalanced one. These different MC, MEL, and Mh traces reveal that the balanced carrier injection can increase the number of triplet exciplex states via weakening the TCA process, which leads to the enhanced RISC process. Because RISC can upconvert dark triplet exciplex states to bright singlet exciplex states, the emission efficiency of the balanced device is higher than that of the unbalanced one. Obviously, this paper uses OMFEs to provide a new physical mechanism of charge balances affecting the emission efficiency of exciplex-based OLEDs.
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Abstract +
To reveal the load mechanism of wall damage induced by bubble collapse, numerical simulation of the near-wall cavitation bubble collapse evolution was conducted using an improved Multi-Relaxation-Time Lattice Boltzmann Method (MRT-LBM), and the dynamic behavior of near-wall cavitation bubble was systematically analyzed. First, the improved multi-relaxation pseudopotential model with a modified force scheme was introduced and validated through the Laplace law and thermodynamic consistency. Subsequently, the near-wall bubble collapse evolution was simulated using the improved model, and the process of the bubble collapse evolution were obtained. The accuracy of the numerical simulation results was confirmed by comparing with previous experimental results. Based on the obtained flow field information, including velocity and pressure distributions, the dynamic behaviors during the bubble collapse were thoroughly analyzed. The results show that the micro-jets released during the near-wall bubble collapse primarily originate from the first collapse, while the shock waves are generated during both the first and second collapses. Notably, the intensity of the shock waves produced during the second collapse is significantly higher than that of the first collapse. Furthermore, the distribution characteristics of pressure and velocity on the wall during the near-wall bubble collapse were analyzed, revealing the load mechanism of wall damage caused by bubble collapse. The results show that the wall is subjected to the combined effects of shock waves and micro-jets: shock waves cause large-area surface damage due to their extensive propagation range, whereas micro-jets lead to concentrated point damage with their localized high-velocity impact. In summary, this study elucidates the evolution of near-wall bubble collapse and the load mechanism of wall damage induced by bubble collapse, providing theoretical support for further utilization of cavitation effects and mitigation of cavitation-induced damage.
, , Received Date: 2024-12-13
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