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The behavior of phase boundaries has been a developing subject of interest and an active interdisciplinary research field, called interface science, for almost two centuries, due partly to phase boundaries naturally arising in many physical processes, such as the capillarity effect, the growth of grain boundaries, the physics of binary alloys ...
The interface between matter and air, or matter and vacuum, is called a surface, and studied in surface science. In thermal equilibrium, the regions in contact are called phases, and the interface is called a phase boundary. An example for an interface out of equilibrium is the grain boundary in polycrystalline matter.
A phase diagram in physical chemistry, engineering, mineralogy, and materials science is a type of chart used to show conditions (pressure, temperature, etc.) at which thermodynamically distinct phases (such as solid, liquid or gaseous states) occur and coexist at equilibrium.
In the physical sciences, a phase is a region of material that is chemically uniform, physically distinct, and (often) mechanically separable. In a system consisting of ice and water in a glass jar, the ice cubes are one phase, the water is a second phase, and the humid air is a third phase over the ice and water.
Periodic boundary conditions in 2D Unit cell with water molecules, used to simulate flowing water. Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a unit cell. PBCs are often used in computer simulations and mathematical models.
A miscibility gap between isostructural phases may be described as the solvus, a term also used to describe the boundary on a phase diagram between a miscibility gap and other phases. [2] Thermodynamically, miscibility gaps indicate a maximum (e.g. of Gibbs energy) in the composition range. [3] [4]
Chemical space is a concept in cheminformatics referring to the property space spanned by all possible molecules and chemical compounds adhering to a given set of construction principles and boundary conditions. It contains millions of compounds which are readily accessible and available to researchers.
This glossary of chemistry terms is a list of terms and definitions relevant to chemistry, including chemical laws, diagrams and formulae, laboratory tools, glassware, and equipment. Chemistry is a physical science concerned with the composition, structure, and properties of matter , as well as the changes it undergoes during chemical reactions ...