The geometry of high-dimensional phase diagrams: II. The duality between closed

When analyzing reactions using the Gibbs free energy, which has a natural variable of... The corresponding phase diagram would thus have a chemical potential axis for the open volatile...

Hierarchical structures of amorphous solids characterized by persistent homology

Significance : Persistent homology is an emerging mathematical concept for characterizing shapes of data. In particular, it provides a tool called the persistence diagram that extracts multiscale topological features such as rings and cavities embedded in atomic configurations. This article presents a unified method using persistence diagrams for studying the geometry of atomic configurations in amorphous solids. The method highlights hierarchical structures that conventional techniques could not have treated appropriately. Abstract ...

Materials | Free Full-Text | Binary Phase Diagrams and Thermodynamic Properties

Abstract Fabrication of solar and electronic silicon wafers... combination of the best evaluated phase diagram and a set of... (ppb), which represents a challenge to measure for some...

State of the art of geopolymers: A review - De Gruyter

During dissolution of the raw material, aluminum (Al) and silicon (Si) are released, which, preceded by a polymerization... have a three-dimensional (3D) tetrahedron structure formed by...

High Temperature Physical Chemistry of Metals and Slags - HiteP2

(a) Picture of remelted ESR ingot, and (b) Si and B content along with the radial direction of the remelted ingot. ; Relationship between calculated activities of Al2O3, Ce2O3 as well as Al2O3·Ce2O3 and CaO content in the CaF2–CaO–Al2O3–Ce2O3 at 1873 K

State of the art of geopolymers: A review - De Gruyter

During dissolution of the raw material, aluminum (Al) and silicon (Si) are released, which, preceded by a polymerization... have a three-dimen- sional (3D) tetrahedron structure formed by...

Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate

of compounds, such as actinide mixed-oxoanion phases, which... oxygen that was attributed to either the presence of a light... during the reaction based on the pressure-temperature diagram...

A foundation model for atomistic materials chemistry - e-Print archive

The model can be applied out of the box and as a starting or “foundation model” for any... However, the computational cost of such ab initio methods, which use electronic structure...

Epitaxial Graphene on SiC: A Review of Growth and Characterization

sublimed silicon atoms from silicon carbide (SiC (0001)) crystal... One of the methods is mechanical exfoliation of graphite, which is basically a repeated peeling process. Andre Geim and...

Machine learning based modeling of disordered elemental semiconductors: understa

made of silicon. Com- mercially successfullight-emitting... Furthermore, modified a-C such as oxygen-rich a-C (a-COx) [12]... In the case of a-C the situation is significantly more complex...