Lithium crystallization at solid interfaces

Multi-principal elemental intermetallic nanoparticles synthesized via a disorder-to-order transition

Nanoscale multi-principal element intermetallics (MPEIs) may provide a broad and tunable compositional space of active, high–surface area materials with potential applications such as catalysis and magnetics. However, MPEI nanoparticles are challenging to fabricate because of the tendency of the particles to grow/agglomerate or phase-separated during annealing. Here, we demonstrate a disorder-to-order phase transition approach that enables the synthesis of ultrasmall (4 to 5 nm) and stable MPEI nanoparticles (up to eight elements). We apply just 5 min of Joule heating to promote the phase transition of the nanoparticles into L1 0 intermetallic structure, which is then preserved by rapidly cooling. This disorder-to-order transition results in phase-stable nanoscale MPEIs with compositions (e.g., PtPdAuFeCoNiCuSn), which have not been previously attained by traditional synthetic methods. This synthesis strategy offers a new paradigm for developing previously unexplored MPEI nanoparticles by accessing a nanoscale-size regime and novel compositions with potentially broad applications.

Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid‐State Batteries

Denary oxide nanoparticles as highly stable catalysts for methane combustion

Interfacial Defect of Lithium Metal in Solid‐State Batteries

Predicting Complex Relaxation Processes in Metallic Glass

Atomic-Approach to Predict the Energetically Favored Composition Region and to Characterize the Short-, Medium-, and Extended-Range Structures of the Ti-Nb-Al Ternary Metallic Glasses

Ab initio calculations were conducted to assist the construction of the n-body potential of the Ti-Nb-Al ternary metal system. Applying the constructed Ti-Nb-Al interatomic potential, molecular dynamics and Monte Carlo simulations were performed to predict a quadrilateral composition region, within which metallic glass was energetically favored to be formed. In addition, the amorphous driving force of those predicted possible glassy alloys was derived and an optimized composition around Ti15Nb45Al40 was pinpointed, implying that this alloy was easier to be obtained. The atomic structure of Ti-Nb-Al metallic glasses was identified by short-, medium-, and extended-range analysis/calculations, and their hierarchical structures were responsible to the formation ability and unique properties in many aspects.

Microstructure evolution during near-Tg annealing and its effects on shear banding in model alloys

Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

Atomistic simulation study of favored compositions of Ni-Nb-Al metallic glasses

Effect of pressure on elastic, mechanical and electronic properties of WSe2: A first-principles study