Switching of controlling mechanisms during the rapid solidification of a melt pool in additive manufacturing

Fusion-based metal additive manufacturing (AM) is a disruptive technology that can be employed to fabricate metallic component of near-net-shape with an unprecedented combination of superior properties. However, the interrelationship between AM processing and the resulting microstructures is still not well understood. This poses a grand challenge in controlling the development of microstructures during AM to achieve desired properties. Here we study the microstructure development of a single melt pool, the building block of AM-fabricated metallic component, using a phase-field model specifically developed for the rapid solidification of AM. It is found that during the rapid solidification of the melt pool, the solid-liquid interface is initially controlled by solute diffusion followed by a thermal diffusion-controlled stage with an undercooling larger than the freezing range. This switching of controlling mechanisms leads to the sudden changes in interfacial velocity, solute concentration, and temperature, which perfectly explains the formation of various heterogeneous microstructures observed in AM. By manipulating the processing conditions, the switching of controlling mechanisms can be controlled to form refined microstructures or layered structures for improved mechanical properties and resistance to cracking

Modeling Phase Selection And Extended Solubility In Rapid Solidified Alloys

A new phase selection model based on the time-dependent nucleation theory was developed to investigate the effect of rapid solidification on extended solubility. The model was applied to predict the solubility as a function of undercooling for several binary Al alloys. The predictions of both eutectic and peritectic systems show good agreement with experimental data. It was demonstrated that the developed model is better than the T 0-line method, which neglected the kinetic process of nucleation. Furthermore, the model can also be applied to ternary and multicomponent phases assuming the nucleation is limited by the scarcest species or the slowest diffuser. The feasibility and reliability of the new model make it a useful tool for novel alloy design for rapid solidification processes such as additive manufacturing

Switching of Control Mechanisms during the Rapid Solidification of a Melt Pool

The Solidification of Alloys is Typically Controlled by Solute Diffusion Due to the Solute Partitioning Happening at the Solid-Liquid Interface. in This Study, We Show that the Switching from Solute Diffusion-Controlled Growth to Thermal Diffusion-Controlled Growth May Happen at the Solidification Front during Rapid Solidification Processes of Alloys Such as Additive Manufacturing using a Phase-Field Model. the Switching is Found to Be Triggered by the Cooling of the Solid-Liquid Interface When It Becomes Colder Than the Solidus Temperature. the Switching Introduces a Sudden Jump of Growth Velocity, an Increase in Solute Concentration, and the Refining of the Resulting Microstructures. All Those Changes Predicted by the Phase-Field Simulations Agree with Experimental Observations Quantitatively. the Switching of Control Mechanisms Can Be Exploited by Manipulating the Processing Conditions to Form Refined Microstructures or Layered Structures for Improved Mechanical Properties

Selection of Solidification Pathway in Rapid Solidification Processes

Rapid Solidification Processing of Alloys Enables the Formation of Exotic Nonequilibrium Microstructures. However, the Interrelationship between the Processing Parameters and the Resulting Microstructure is Yet to Be Fully Understood. in Melt Spinning (MS) and Additive Manufacturing (AM) of Rapidly Solidified Alloys, Opposite Microstructure Development Sequences Were Observed. a Fine-To-Coarse Microstructural Transition is Typically Observed in Melt-Spun Ribbons, Whereas Melt Pools in AM Exhibit a Coarse-To-Fine Transition. in This Paper, the Microstructural Evolutions during These Two Processes Are Investigated using Phase-Field Modeling. the Variation of All Key Variables of the Solid-Liquid Interface (Temperature, Composition, and Velocity) throughout the Entire Rapid Solidification of AM and MS Processes Was Acquired with High Accuracy. It is Found that the Onset of Nucleation Determines the Selection of the Solidification Pathway And, Consequently, the Evolution of Temperature and Velocity of the Interface during the Rapid Solidification. the Switching of Control Mechanisms of the Solid-Liquid Interface, Which Happens in Both Processes But in Opposite Directions, is Found to Cause the Velocity Jump and Disrupt the Microstructure Development

Thermotropic Phase Boundaries in Classic Ferroelectrics

High-performance piezoelectrics are lead-based solid solutions that exhibit a so-called morphotropic phase boundary, which separates two competing phases as a function of chemical composition; as a consequence, an intermediate low-symmetry phase with a strong piezoelectric effect arises. In search for environmentally sustainable lead-free alternatives that exhibit analogous characteristics, we use a network of competing domains to create similar conditions across thermal inter-ferroelectric transitions in simple, lead-free ferroelectrics such as BaTiO3 and KNbO3. Here we report the experimental observation of thermotropic phase boundaries in these classic ferroelectrics, through direct imaging of low-symmetry intermediate phases that exhibit large enhancements in the existing nonlinear optical and piezoelectric property coefficients. Furthermore, the symmetry lowering in these phases allows for new property coefficients that exceed all the existing coefficients in both parent phases. Discovering the thermotropic nature of thermal phase transitions in simple ferroelectrics thus presents unique opportunities for the design of \u27green\u27 high-performance materials

Origin of Interfacial Polar Order in Incipient Ferroelectrics

There are ample experimental evidences indicating that the ferroelastic domain walls of incipient ferroelectrics, such as SrTiO3 and CaTiO3, are polar. The emergence of such interfacial polar order at a domain wall is exciting and believed to arise from the coupling between a primary order parameter, such as a strain or an antiferrodistortive (AFD) order parameter, and polarization. There have been several mechanisms proposed to explain the emergence of interfacial polar order, including biquadratic coupling, AFD-antiferroelectric coupling, and flexoelectric coupling. Using CaTiO3 as an example, we demonstrate, using both asymptotic analytics and numerical calculation, that the flexoelectric coupling is likely the dominant mechanism leading to the interfacial polar order

Nanoscale Mechanical Switching of Ferroelectric Polarization Via Flexoelectricity

Flexoelectric coefficient is a fourth-rank tensor arising from the coupling between strain gradient and electric polarization and thus exists in all crystals. It is generally ignored for macroscopic crystals due to its small magnitude. However, at the nanoscale, flexoelectric contributions may become significant and can potentially be utilized for device applications. Using the phase-field method, we study the mechanical switching of electric polarization in ferroelectric thin films by a strain gradient created via an atomic force microscope tip. Our simulation results show good agreement with existing experimental observations. We examine the competition between the piezoelectric and flexoelectric effects and provide an understanding of the role of flexoelectricity in the polarization switching. Also, by changing the pressure and film thickness, we reveal that the flexoelectric field at the film bottom can be used as a criterion to determine whether domain switching may happen under a mechanical force

Thermodynamics of Strained Vanadium Dioxide Single Crystals

Vanadium dioxide undergoes a metal-insulator transition, in which the strain condition plays an important role. To investigate the strain contribution, a phenomenological thermodynamic potential for the vanadium dioxide single crystal was constructed. The transformations under the uniaxial stress, wire, and thin film boundary conditions were analyzed, and the corresponding phase diagrams were constructed. The calculated phase diagrams agree well with existing experimental data, and show that the transformation temperature (and Curie temperature) strongly depends on the strain condition

Erratum: Orientations of Low-Energy Domain Walls in Perovskites with Oxygen Octahedral Tilts (Physical Review B - Condensed Matter and Materials Physics (2014) 90 (220101))

In the Acknowledgment of the original article, the Award No. DMR-0820404 should be replaced by DMR-1420620