Pil-Ryung Cha

Superplastic Deformation of Defect-Free Au Nanowires via Coherent Twin Propagation

We report that defect-free Au nanowires show superplasticity on tensile deformation. Evidences from high-resolution electron microscopes indicated that the plastic deformation proceeds layer-by-layer in an atomically coherent fashion to a long distance. Furthermore, the stress-strain curve provides full interpretation of the deformation. After initial superelastic deformation, the nanowire shows superplastic deformation induced by coherent twin propagation, completely reorientating the crystal from <110> to <100>. Uniquely well-disciplined and long-propagating atomic movements deduced here are ascribed to the superb crystallinity as well as the radial confinement of the Au nanowires.

Atomic Layer Deposition of Dielectrics on Graphene Using Reversibly Physisorbed Ozone

Integration of graphene field-effect transistors (GFETs) requires the ability to grow or deposit high-quality, ultrathin dielectric insulators on graphene to modulate the channel potential. Here, we study a novel and facile approach based on atomic layer deposition through ozone functionalization to deposit high-κ dielectrics (such as Al(2)O(3)) without breaking vacuum. The underlying mechanisms of functionalization have been studied theoretically using ab initio calculations and experimentally using in situ monitoring of transport properties. It is found that ozone molecules are physisorbed on the surface of graphene, which act as nucleation sites for dielectric deposition. The physisorbed ozone molecules eventually react with the metal precursor, trimethylaluminum to form Al(2)O(3). Additionally, we successfully demonstrate the performance of dual-gated GFETs with Al(2)O(3) of sub-5 nm physical thickness as a gate dielectric. Back-gated GFETs with mobilities of ~19,000 cm(2)/(V·s) are also achieved after Al(2)O(3) deposition. These results indicate that ozone functionalization is a promising pathway to achieve scaled gate dielectrics on graphene without leaving a residual nucleation layer.

A phase field model for isothermal solidification of multicomponent alloys

With the ability to model the kinetics and the pattern formation for solidification, a phase field model has been studied by many scientists. Currently available models, however, are restricted not only to binary alloys but also to those with substitutional solute elements. In this work, a new phase field model is developed to study solidification of a multicomponent alloy containing substitutional as well as interstitial solute elements. By employing the number of moles per unit volume as the concentration variable, the evolution equations of both the phase field and the concentration fields are derived from the free energy functional in the thermodynamically consistent way. In the model, the interfacial region is assumed to be a mixture of solid and liquid with the same composition, but with different chemical potentials. Based on this assumption, the phase field parameters are matched to the alloy properties and an interface thickness limitation is also deduced. Using the chemical rate theory, the phase field mobility is determined at a thin-interface limit condition under the assumption of negligible diffusivity in the solid phase. Another advantage of the model is that any thermodynamic database available in the literature can be directly ported to the model such that quantitative results for solidification of the real alloy systems could be made. As an example, a dendritic growth in an Fe-Mn-C ternary alloy is examined with the thermodynamic data from the commercial software Thermo-Calc code.

Biodegradability engineering of biodegradable Mg alloys: Tailoring the electrochemical properties and microstructure of constituent phases

Crystalline Mg-based alloys with a distinct reduction in hydrogen evolution were prepared through both electrochemical and microstructural engineering of the constituent phases. The addition of Zn to Mg-Ca alloy modified the corrosion potentials of two constituent phases (Mg + Mg2Ca), which prevented the formation of a galvanic circuit and achieved a comparable corrosion rate to high purity Mg. Furthermore, effective grain refinement induced by the extrusion allowed the achievement of much lower corrosion rate than high purity Mg. Animal studies confirmed the large reduction in hydrogen evolution and revealed good tissue compatibility with increased bone deposition around the newly developed Mg alloy implants. Thus, high strength Mg-Ca-Zn alloys with medically acceptable corrosion rate were developed and showed great potential for use in a new generation of biodegradable implants.

Long-term clinical study and multiscale analysis of in vivo biodegradation mechanism of Mg alloy

Significance In the past decade, countless studies have been performed to control the mechanical and corrosion property of magnesium-based alloy, which degrades in the physiological environment, to overcome the flaws of the inert implant materials and shift the paradigm of conventional bone fixation devices. Controlled degradation of Mg-5wt%Ca-1wt%Zn alloy results in the formation of biomimicking calcification matrix at the degrading interface to initiate the bone formation process. This process facilitates early bone healing and allows the complete replacement of biodegradable Mg implant by the new bone within 1 y of implantation, as demonstrated in 53 cases of successful long-term clinical study. There has been a tremendous amount of research in the past decade to optimize the mechanical properties and degradation behavior of the biodegradable Mg alloy for orthopedic implant. Despite the feasibility of degrading implant, the lack of fundamental understanding about biocompatibility and underlying bone formation mechanism is currently limiting the use in clinical applications. Herein, we report the result of long-term clinical study and systematic investigation of bone formation mechanism of the biodegradable Mg-5wt%Ca-1wt%Zn alloy implant through simultaneous observation of changes in element composition and crystallinity within degrading interface at hierarchical levels. Controlled degradation of Mg-5wt%Ca-1wt%Zn alloy results in the formation of biomimicking calcification matrix at the degrading interface to initiate the bone formation process. This process facilitates early bone healing and allows the complete replacement of biodegradable Mg implant by the new bone within 1 y of implantation, as demonstrated in 53 cases of successful long-term clinical study.

A phase field model for the solute drag on moving grain boundaries

Abstract We propose a model based on a phase-field approach to study the effect of the solute drag on moving grain boundaries in a binary alloy system. By considering the grain boundary as a distinguishable phase and adopting a “segregation potential” in the grain boundary region, the effect of solute drag is automatically incorporated into the model. It is shown at equilibrium that the model can reproduce the equilibrium solute segregation and Gibbs adsorption. It is also demonstrated at a one-dimensional steady state that the model includes both the solute drag proposed by Cahn and the free energy dissipation by Hillert and Sundman. In the dilute solution limit, the simple expressions for the concentration distribution around the interfacial region and the solute drag are obtained as functions of boundary velocity, diffusivity and segregation potential and they are found to be consistent with the previous theories for solute drag phenomenon. In two-dimensional quasi steady state, the phase field model reduces to the relationship between normal velocity and the curvature of the boundary and the relationship between phase field mobility and the grain boundary mobility is obtained.

The modification of microstructure to improve the biodegradation and mechanical properties of a biodegradable Mg alloy.

The effect of microstructural modification on the degradation behavior and mechanical properties of Mg-5wt%Ca alloy was investigated to tailor the load bearing orthopedic biodegradable implant material. The eutectic Mg/Mg2Ca phase precipitated in the as-cast Mg-5wt%Ca alloy generated a well-connected network of Mg2Ca, which caused drastic corrosion due to a micro galvanic cell formed by its low corrosion potential. Breaking the network structure using an extrusion process remarkably retarded the degradation rate of the extruded Mg-5wt%Ca alloy, which demonstrates that the biocompatibility and mechanical properties of Mg alloys can be enhanced through modification of their microstructure. The results from the in vitro and in vivo study suggest that the tailored microstructure by extrusion impede the deterioration in strength that arises due to the dynamic degradation behavior in body solution.

A kinetic Monte Carlo simulation method of van der Waals epitaxy for atomistic nucleation-growth processes of transition metal dichalcogenides

Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures. In this work, a KMC simulation method is developed for the growth modeling on the vdW epitaxy of TMDs. The KMC method has introduced full material parameters for TMDs in bottom-up synthesis: metal and chalcogen adsorption/desorption/diffusion on substrate and grown TMD surface, TMD stacking sequence, chalcogen/metal ratio, flake edge diffusion and vacancy diffusion. The KMC processes result in multiple kinetic behaviors associated with various growth behaviors observed in experiments. Different phenomena observed during vdW epitaxy process are analysed in terms of complex competitions among multiple kinetic processes. The KMC method is used in the investigation and prediction of growth mechanisms, which provide qualitative suggestions to guide experimental study.

Enhanced Endurance Organolead Halide Perovskite Resistive Switching Memories Operable under an Extremely Low Bending Radius

It was demonstrated that organolead halide perovskites (OHPs) show a resistive switching behavior with an ultralow electric field of a few kilovolts per centimeter. However, a slow switching time and relatively short endurance remain major obstacles for the realization of the next-generation memory. Here, we report a performance-enhanced OHP resistive switching device. To fabricate topologically and electronically improved OHP thin films, we added hydroiodic acid solution (for an additive) in the precursor solution of the OHP. With drastically improved morphology such as small grain size, low peak-to-valley depth, and precise thickness, the OHP thin films showed an excellent performance as insulating layers in Ag/CH3NH3PbI3/Pt cells, with an endurance of over 103 cycles, a high on/off ratio of 106, and an operation speed of 640 μs and without electroforming. We suggest plausible resistive switching and conduction mechanisms with current-voltage characteristics measured at various temperatures and with different top electrodes and device structures. Beyond the extended endurance, highly flexible resistive switching devices with a minimum bending radius of 5 mm create opportunities for use in flexible and wearable electronic devices.

First principles kinetic Monte Carlo study on the growth patterns of WSe2 monolayer

The control of domain morphology and defect level of synthesized transition metal dichalcogenides (TMDs) is of crucial importance for their device applications. However, current TMDs synthesis by chemical vapor deposition and molecular beam epitaxy is in an early stage of development, where much of the understanding of the process-property relationships is highly empirical. In this work, we use a kinetic Monte Carlo coupled with first principles calculations to study one specific case of the deposition of monolayer WSe2 on graphene, which can be expanded to the entire TMD family. Monolayer WSe2 domains are investigated as a function of incident flux, temperature and precursor ratio. The quality of the grown WSe2 domains is analyzed by the stoichiometry and defect density. A phase diagram of domain morphology is developed in the space of flux and the precursor stoichiometry, in which the triangular compact, fractal and dendritic domains are identified. The phase diagram has inspired a new synthesis strategy for large TMD domains with improved quality.