相关论文: Observing and modeling the sequential pairwise rea…
When a system undergoes a transition from a liquid to a solid phase, it passes through multiple intermediate structures before reaching the final state. However, our knowledge on the exact pathways of this process is limited, mainly due to…
A common bottleneck for materials discovery is synthesis. While recent methodological advances have resulted in major improvements in the ability to predicatively design novel materials, researchers often still rely on trial-and-error…
The prediction of transition temperatures can be regarded in several ways, either as an exacting test of theory, or as a tool for identifying theoretical rules for defining new homology models. Popular "first principle" methods for…
Superconducting thick films (200$\mu$m-300$\mu$m) of YBCO have been fabricated successfully on MgO substrates by a new approach. The precursor powders (YBa2Cu3O7-$\delta$(Y123)+0.1molY2BaCuO5(Y211)) are placed between two MgO (10mm x 10mm)…
We report on the new non--linear optical signatures of quantum phase transitions in the high-temperature superconductor YBCO, observed through high harmonic generation. While the linear optical response of the material is largely unchanged…
Vapor deposition allows for the synthesis of metastable polymorphs with unique properties, yet polymorph selection remains largely empirical due to the lack of predictive guidelines bridging thermodynamics, kinetics, and synthesis…
Crystallization often proceeds through successive stages that lead to a gradual increase in organization. Using molecular simulation, we determine the nucleation pathway for solid solutions of copper and gold. We identify a new nucleation…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
X-ray photoemission spectroscopy has been used to investigate the depth dependent crystal structures and chemical compositions of sequentially chemical-etched YBa2Cu3O7-d (YBCO) ultrathin film superconductors. In the near-interface region…
We report the multistep electrolytic process for the synthesis of high Tc single phase HgBa2Ca2Cu3O8+ (Hg-1223) superconducting films. The process includes : i) deposition of BaCaCu precursor alloy, ii) oxidation of BaCaCu films,…
The interplay between superconductivity and any other competing order is an essential part of the long-standing debate on the origin of high temperature superconductivity in cuprates. Akin to the situation of heavy fermions, organic…
The nature of the phase separation in KxFe2-ySe2 single crystals is not well understood. Here, temperature dependent SEM images provide compelling evidence that phase separation corresponds to a nucleation and growth process rather than a…
The kinetics of ordering and concurrent ordering and clustering is analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. A simplified energy eigenstructure, or…
Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for modeling the thermodynamics of superconducting alloys while…
Current-voltage characteristics of Au~/~YBa$_2$Cu$_3$O$_{7-\delta}$ interfaces (Au/YBCO), built on optimally-doped YBCO thin films, grown by pulsed laser deposition, were measured as a function of temperature in the 50 K to 270 K range, for…
Spray flame synthesis offers a promising method for scalable production of homogeneously mixed Y2O3-MgO nanopowders as next-generation infrared-transparent window material, which has attracted significant attention owing to its excellent…
In the manufacturing process of high-performance particulate materials, viscous sintering plays a crucial role, particularly in fields such as polymer processing and additive manufacturing. The interactions between microscopic particles,…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
To aid in the automation of inorganic materials synthesis, we introduce an algorithm (ARROWS3) that guides the selection of precursors used in solid-state reactions. Given a target phase, ARROWS3 iteratively proposes experiments and learns…
We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first…