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Effect of pre-existing nuclei on crystallization during laser welding of Zr-based metallic glass
摘要： In this study, experiments are carried out in laser welding of a Zr-based (Zr52.5Ti5Al10Ni14Cu17.9) bulk metallic glass (BMG), pre-existing nuclei nucleus density has significant influence on its crystallization behavior. Based on the classical nucleation/growth theory, it is concluded that a small amount of pre-existing nuclei in a BMG can shift the time-temperature-transformation (TTT) curve from a well-known ‘C-shape’ to a ‘ε-shape.’ This result provides fundamental understanding on why the shape of the TTT curve for a heating process is different from that for a cooling process for the same BMG. Two quality factors were defined as a measure of the effect of pre-existing nucleus density. By integrating the classical nucleation/growth theory with the heat transfer model, the evolution of crystalline phase during laser welding for a BMG with pre-existing nuclei was studied, and the modeling predictions compared favorably with the experimental results.
关键词： Crystallization,Nucleation and growth,Laser processing,Metallic glasses,Amorphous alloys
更新于2025-11-28 14:24:20
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Optical, structural and luminescence properties of oxyfluoride phosphate glasses and glass-ceramics doped with Yb3+
摘要： The impact of Al2O3 and Y2O3 addition on the structure, Yb3+ luminescence and crystallization is investigated for glasses in the P2O5-SrO-Na2O system. Although the addition of Al2O3 and Y2O3 leads to a more connected phosphate network as evidenced using IR and Raman spectroscopies and increases the glass transition temperature, it does not affect strongly the site of the Yb3+. The addition of Al2O3 and Y2O slightly decreases the rate of the glass crystallization. Surface crystallization occurs upon heat treatment. Crystallization was confirmed by the presence of sharp peaks in the XRD patterns of the glasses. Independently of the glass composition, multiple different crystalline phases precipitate in the glasses upon heat treatment. The precipitation of the Na1O7P2Yb1 crystal phase leads to an increase of the excited state 2F5/2 lifetime of Yb3+ and also of the bandwidth of the Yb3+ emission band centered at 1μm.
关键词： nucleation and growth,Yb3+ doped phosphate glasses,Raman & Infrared spectroscopies,Yb3+ luminescence properties,heat treatment
更新于2025-09-23 15:22:29
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The effect of pulse duration on nanoparticle generation in pulsed laser ablation in liquids: Insights from large-scale atomistic simulations
摘要： The generation of colloidal solutions of chemically clean nanoparticles through pulsed laser ablation in liquids (PLAL) has evolved into a thriving research field that impacts industrial applications. The complexity and multiscale nature of PLAL make it difficult to untangle the various processes involved in the generation of nanoparticles and establish the dependence of nanoparticle yield and size distribution on the irradiation parameters. Large-scale atomistic simulations have yielded important insights into the fundamental mechanisms of ultrashort (femtoseconds to tens of picoseconds) PLAL and provided a plausible explanation of the origin of the experimentally observed bimodal nanoparticle size distributions. In this paper, we extend the atomistic simulations to short (hundreds of picoseconds to nanoseconds) laser pulses and focus our attention on the effect of the pulse duration on the mechanisms responsible for the generation of nanoparticles at the initial dynamic stage of laser ablation. Three distinct nanoparticle generation mechanisms operating at different stages of the ablation process and in different parts of the emerging cavitation bubble are identified in the simulations. These mechanisms are (1) the formation of a thin transient metal layer at the interface between the ablation plume and water environment followed by its decomposition into large molten nanoparticles, (2) nucleation, growth, and rapid cooling/solidification of small nanoparticles at the very front of the emerging cavitation bubble, above the transient interfacial metal layer, and (3) spinodal decomposition of a part of the ablation plume located below the transient interfacial layer, leading to the formation of a large population of nanoparticles growing in a high-temperature environment through inter-particle collisions and coalescence. The coexistence of the three distinct mechanisms of the nanoparticle formation at the initial stage of the ablation process can be related to the broad nanoparticle size distributions commonly observed in nanosecond PLAL experiments. The strong dependence of the nanoparticle cooling and solidification rates on the location within the low-density metal-water mixing region has important implications for the long-term evolution of the nanoparticle size distribution, as well as for the ability to quench the nanoparticle growth or dope them by adding surface-active agents or doping elements to the liquid environment.
关键词： phase explosion,pulsed laser ablation in liquids,molecular dynamics simulations,hydrodynamic instability,atomistic simulations,nanoparticles,nucleation and growth
更新于2025-09-19 17:13:59
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Non-classical nucleation pathways revealed by scanning tunneling microscopy of epitaxy of covalent materials
摘要： Identifying atomic/molecular mechanism is crucial for understanding crystallization and epitaxial growth and to enable controlled synthesis of high-quality devices and desired crystalline structures. Using scanning tunneling microscopy, we studied early stages of Si epitaxy on a Si(111) surface mediated by a Pb monolayer. A type of highly mobile magic clusters was observed only when they were trapped at boundary or defect sites. Magic clusters also formed cluster aggregates temporarily. Adding more Si transformed the aggregates into immobile metastable or stable structures. Here we propose a scenario involving concerted chemical reactions of multiple, co-localized magic clusters with the activation energies decreasing with increasing number of clusters. This scenario may be modified to understand nucleation and growth of many covalent materials as well as crystallization in numerous synthetic and natural systems.
关键词： magic clusters,Nucleation and growth,chemical reactions,covalent materials,non-classical nucleation
更新于2025-09-12 10:27:22
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Nucleation-Limited Ferroelectric Orthorhombic Phase Formation in Hf <sub/>0.5</sub> Zr <sub/>0.5</sub> O <sub/>2</sub> Thin Films
摘要： Various possibilities have been proposed as the cause of the doped- or undoped-HfO2 thin film materials showing unusual ferroelectricity. These assumptions are based on empirical results, yet finding the origin of the unprecedented ferroelectricity within HfO2 has suffered from a serious gap between its theoretical calculation, mostly based on thermodynamic approach and the actual experimental results. To fill the gap, this study proposes to consider the kinetic energy, providing the evidence of the kinetic energy barrier upon a phase transformation from the tetragonal phase to the monoclinic phase affected by the TiN top electrode (capping layer). 10 nm thick Hf0.5Zr0.5O2 thin films are deposited and annealed with or without the TiN capping layer with subsequent annealing at different time and temperature. Arrhenius plot is constructed to obtain the activation energy for the tetragonal-to-monoclinic phase transformation by calculating the amount of the transformed phase using X-ray diffraction pattern. Johnson–Mehl–Avrami and nucleation-limited transformation models are utilized to describe the characteristic nucleation and growth time and calculate the activation energy for the monoclinic phase transformation of the Hf0.5Zr0.5O2 thin film. Both models demonstrate that the TiN capping layer provides a kinetic energy barrier for tetragonal-to-monoclinic phase transformation and enhances the ferroelectric property.
关键词： ferroelectric thin films,hafnium zirconium oxide,activation energy,nucleation-limited transformation,nucleation and growth transformation kinetics
更新于2025-09-04 15:30:14