Related papers: Observing and modeling the sequential pairwise rea…
Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the goal to provide a synthesis route. Its two primary research…
Multiferroic bismuth ferrite Bi_2Fe_4O_9 (BFO) ceramic was synthesized by conventional solid state reaction route. X-ray diffraction and Rietveld refinement show formation of single phase ceramic with orthorhombic crystal structure (space…
Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established…
In the literature, two quite different phase-field formulations for the problem of alloy solidification can be found. In the first, the material in the diffuse interfaces is assumed to be in an intermediate state between solid and liquid,…
MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and…
Reducing the formation temperature of single-phase multioxides is one of the classic challenges in ceramic processing, including wet-chemical synthesis routes. Toward pursuing this aim for diopside (MgCaSi2O6), the merit of different…
We have studied a three-unit-cell-thick YBa2Cu3O7-x (YBCO) superconducting film grown on a slightly vicinal SrTiO3 substrate that was polished from the (001) plane by a small miscut angle (less than 0.5 degrees). This produced, on its…
Systematic microwave surface impedance measurements of YBCO single crystals grown in $BaZrO_3$ crucibles reveal new properties that are not directly seen in similar measurements of other YBCO samples. Two key observations obtained from…
In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in…
Thermochemical characteristics of Nd1+xBa2-xCu3Oy solid solutions were studied by solution calorimetry. Dependences of formation enthalpies from Nd content were constructed. It was established that decomposition of solid solution on the…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
Bifurcations in kinetic pathways decide the evolution of a system. An example is crystallization, in which the thermodynamically stable polymorph may not form due to kinetic hindrance. Here, we use confined self-assembly to investigate the…
Advancing the functional performance of bismuth ferrite (BiFeO$_3$) requires precise control over phase stability and microstructure, challenges often complicated by secondary phase formation within the Bi$_2$O$_3$-Fe$_2$O$_3$ system. In…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored…
Using 4-circle x-ray diffraction and transmission electron microscopy we have studied the microstructure and in-plane orientation of the phases present in thin film composite mixtures of YBa(2)Cu(3)O(7) and Y(2)O(3). We see a high degree of…