Phase field study of the tip operating state of a freely growing dendrite against convection using a novel parallel multigrid approach

Alloy dendrite growth during solidification with coupled thermal-solute-convection fields has been studied by phase field modeling and simulation. The coupled transport equations were solved using a novel parallel-multigrid numerical approach with high computational efficiency that has enabled the investigation of dendrite growth with realistic alloy values of Lewis number ∼104 and Prandtl number ∼10−2. The detailed dendrite tip shape and character were compared with widely recognized analytical approaches to show validity, and shown to be highly dependent on undercooling, solute concentration and Lewis number. In a relatively low flow velocity regime, variations in the ratio of growth selection parameter with and without convection agreed well with theory

Recent advances in synchrotron X-ray studies of the atomic structures of metal alloys in liquid state

Research into the atomic structures of metal materials in the liquid state, their dynamic evolution versus temperature until the onset of crystal nucleation has been a central research topic in condensed matter physics and materials science for well over a century. However, research and basic understanding of the atomic structures of liquid metals are far less than those in the solid state of the samecompositions. This review serves as a condensed collection of the most important research literature published so far in this field, providing a critical and focused review of the historical research development and progress in this field since the 1920s. In particular, the development of powerful synchrotron X-ray sources and the associated experimental techniques and sample environments for studying in-situ the atomic structures of different metallic systems. The key findings made in numerous pure metals and metallic alloysystems are critically reviewed and discussed with the focus on the results and new understandings of structural heterogeneities found inside a bulk liquids, at the liquid surface of liquids, and or at liquid-solid interfaces. The possible future directions of research and development on the most advanced experimental and modelling techniques are envisaged and briefly discussed as well

Multi-scale characterisation of the 3D microstructure of a thermally-shocked bulk metallic glass matrix composite

Bulk metallic glass matrix composites (BMGMCs) are a new class of metal alloys which have significantly increased ductility and impact toughness, resulting from the ductile crystalline phases distributed uniformly within the amorphous matrix. However, the 3D structures and their morphologies of such composite at nano and micrometre scale have never been reported before. We have used high density electric currents to thermally shock a Zr-Ti based BMGMC to different temperatures, and used X-ray microtomography, FIB-SEM nanotomography and neutron diffraction to reveal the morphologies, compositions, volume fractions and thermal stabilities of the nano and microstructures. Understanding of these is essential for optimizing the design of BMGMCs and developing viable manufacturing methods

Characterization of ultrasonic bubble clouds in a liquid metal by synchrotron x-ray high speed imaging and statistical analysis

Quantitative understanding of the interactions of ultrasonic waves with liquid and solidifying metals is essential for developing optimal processing strategies for ultrasound processing of metal alloys in the solidification processes. In this research, we used the synchrotron X-ray high-speed imaging facility at Beamline I12 of the Diamond Light Source, UK to study the dynamics of ultrasonic bubbles in a liquid Sn-30wt%Cu alloy. A new method based on the X-ray attenuation for a white X-ray beam was developed to extract quantitative information about the bubble clouds in the chaotic and quasi-static cavitation regions. Statistical analyses were made on the bubble size distribution, and velocity distribution. Such rich statistical data provide more quantitative information about the characteristics of ultrasonic bubble clouds and cavitation in opaque, high-temperature liquid metals

Revealing in situ stress-induced short- and medium-range atomic structure evolution in a multicomponent metallic glassy alloy

Deformation behaviour of multicomponent metallic glasses are determined by the evolution/reconfiguration of the short- and medium-range order (SRO and MRO) atomic structures. A precise understanding of how different atom species rearrange themselves in different stress states is still a great challenge in materials science and engineering. Here, we report a systematic and synergetic research of using electron microscopy imaging, synchrotron X-ray total scattering plus empirical potential structure refinement (EPSR) modelling to study in situ the deformation of a Zr-based multicomponent metallic glassy alloy with 5 elements. Systematic and comprehensive analyses on the characteristics of the SRO and MRO structures in 3D and the decoupled 15 partial PDFs at each stress level reveal quantitatively how the SRO and MRO structures evolve or reconfigure in 3D space in the tensile and compressive stress states. The results show that the Zr-centred atom clusters have low degree of icosahedra and are the preferred atom clusters to rearrange themselves under the tensile and compressive stresses. The Zr-Zr is the dominant atom pair in controlling the shear band's initiation and propagation. The evolution and reconfiguration of the MRO clusters under different stress states are realised by changing the connection modes between the Zr-centred atom clusters. The coordinated changes of both bond angles and bond lengths of the Zr-centred clusters are the dominant factors in accommodating the tensile or compressive strains. While other solute-centred MRO clusters only play minor roles in the atomic structure reconfiguration/evolution. The research has demonstrated a synergetic and multimodal materials operando characterization methodology that has great application potential in design and development of high performance multiple-component engineering alloys

Synchrotron X-ray operando study and multiphysics modelling of the solidification dynamics of intermetallic phases under electromagnetic pulses

In this paper, we used synchrotron X-ray radiography and tomography to study systematically and in operando conditions the growth dynamics of the primary Al3Ni intermetallic phases in an Al-15wt%Ni alloy in the solidification process with magnetic pulses of up to 1.5 T. The real-time observations clearly revealed the growth dynamics of the intermetallics in time scale from millisecond to minutes, including phase growth instability, side branching, fragmentation and orientation alignment under different magnetic pulse fluxes. A multiphysics numerical model was also developed to calculate the alternating and cyclic Lorentz forces and stresses acting on the Al3Ni phases and the nearby melt due to the applied pulses. Combining the results of the operando experiments and modelling, for the first time, the differential forces between the growing Al3Ni phases and the nearby melt were quantified. The forces can create slip dislocations at the growing crystal front which can further develop into nm and µm crystal steps for initiating phase branching. Furthermore, the magnitudes of the shear stresses are strongly related to the size, morphological and geometric features of the growing Al3Ni phases. Dependent on the magnitude of the shear stresses, phase fragmentation could occur in a single pulse period or in multiple pulse periods via fatigue mechanism. This systematic research work elucidate some of the long-time debated hypotheses concerning intermetallic phases growth instability and phase fragmentation in pulse magnetic fields. The research establishes a robust theoretical framework for quantitative understanding of the intermetallic phase growth dynamics in solidification under pulse magnetic fields

Synchrotron X-ray imaging and ultrafast tomography in situ study of the fragmentation and growth dynamics of dendritic microstructures in solidification under ultrasound

High speed synchrotron X-ray imaging and ultrafast tomography were used to study in situ and in real time the fragmentation and growth dynamics of dendritic microstructures of an Al-15%Cu alloy in solidification under ultrasound. An ultrasound of 30 kHz with vibration amplitude of 29 µm was applied into the alloy melt and produced a strong swirling acoustic flow of ~0.3 m/s. Efficient dendrite fragmentation occurred due to the acoustic flow and the dominant mechanism is the thermal perturbation remelting plus mechanical fracture and separation effect. Acoustic flow fatigue impact and phase collision effects were found to play a minor role in causing dendrite fragmentation. Just 10 s of ultrasound application at the early stage of solidification produced ~100% more dendrite fragments compared to the case without ultrasound, resulting in 20~25% reduction in the average grain size in the solidified samples. Furthermore, the dendrite morphology and tip growth velocity were mainly affected by the initial dendrite fragment number density and their distribution. The systematic and real-time datasets obtained in near operando conditions provided valuable 4D information for validation of numerical models and assistance in developing optimisation strategy for ultrasound melt processing in industry

Synchrotron X-ray operando study and multiphysics modelling of the solidification dynamics of intermetallic phases under electromagnetic pulses

In this paper, we used synchrotron X-ray radiography and tomography to study systematically and in operando conditions the growth dynamics of the primary Al3Ni intermetallic phases in an Al-15wt%Ni alloy in the solidification process with magnetic pulses of up to 1.5 T. The real-time observations clearly revealed the growth dynamics of the intermetallics in time scale from millisecond to minutes, including phase growth instability, side branching, fragmentation and orientation alignment under different magnetic pulse fluxes. A multiphysics numerical model was also developed to calculate the alternating and cyclic Lorentz forces and stresses acting on the Al3Ni phases and the nearby melt due to the applied pulses. Combining the results of the operando experiments and modelling, for the first time, the differential forces between the growing Al3Ni phases and the nearby melt were quantified. The forces can create slip dislocations at the growing crystal front which can further develop into nm and µm crystal steps for initiating phase branching. Furthermore, the magnitudes of the shear stresses are strongly related to the size, morphological and geometric features of the growing Al3Ni phases. Dependent on the magnitude of the shear stresses, phase fragmentation could occur in a single pulse period or in multiple pulse periods via fatigue mechanism. This systematic research work elucidate some of the long-time debated hypotheses concerning intermetallic phases growth instability and phase fragmentation in pulse magnetic fields. The research establishes a robust theoretical framework for quantitative understanding of the intermetallic phase growth dynamics in solidification under pulse magnetic fields

Synchrotron x-ray total scattering and modeling study of high-pressure-induced inhomogeneous atom reconfiguration in an equiatomic Zr50Cu50 metallic glassy alloy

We studied in situ the local atomic structure evolution of an equiatomic Zr50Cu50 metallic glassy alloy under high pressure compression inside a diamond anvil cell using synchrotron x-ray total scattering. The empirical potential structure refinement method was used to reconstruct the three-dimensional atomic models at each pressure step, and to analyze the spatially averaged local atomic structure configurations. The interatomic distances of different atomic pairs are reduced at different rates with increasing pressure and the Cu-Cu pairs exhibit the highest percentage reduction. Between ambient pressure and 36.85 GPa, the atomic separation of the Cu-Cu pairs is reduced by ∼12% compared to ∼5% for Zr-Zr and Zr-Cu pairs. Such disproportional decrease in interatomic distance results in inhomogeneous atom reconfiguration in the short atomic range. With the increase of pressure, the Zr atoms move preferentially towards the Zr-Zr pairs, while the Cu atoms move preferentially towards the Cu-Cu pairs, creating inhomogeneous atom reconfiguration with positive short-range order coefficients of 0.0309 and 0.0464 for Zr-Zr and Cu-Cu respectively, but a negative value of -0.0464 for Zr-Cu pairs. Voronoi tessellation method was also used to study the evolution of the short-range atom packing versus pressure, elucidating the cause for the bimodal distribution of the bond angle distributions. The research sheds light on understanding of the atomic reconfiguration of equiatomic alloys under high pressure