Related Experiment Video
Updated: Mar 19, 2026
08:55
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
9.0K
Structural disorder in metallic glass-forming liquids
Shao-Peng Pan1,2, Shi-Dong Feng3, Li-Min Wang3
1College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, 030024, China.
Scientific Reports
|June 10, 2016
Summary
A new structural parameter, quasi-nearest atom (QNA), reveals universal properties of metallic liquids. This parameter correlates with potential energy and relaxation, aiding understanding of metallic glass disorder.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Computational Chemistry
Background:
- Metallic glasses exhibit complex atomic structures with significant disorder.
- Understanding structure-property relationships is crucial for designing new materials.
- Existing parameters may not fully capture the nuances of structural disorder.
Purpose of the Study:
- Introduce and validate a novel structural parameter, quasi-nearest atom (QNA).
- Investigate the role of QNA in characterizing structural disorder in metallic liquids.
- Establish correlations between QNA and key material properties.
Main Methods:
- Utilized molecular dynamics simulations for eight metallic glass-forming systems.
- Generated atomistic configurations at various temperatures.
- Analyzed the distribution and spatial heterogeneity of QNA.
Main Results:
- The scaled distribution of QNA number is a universal property of metallic liquids.
- QNA distribution exhibits clear spatial heterogeneity.
- QNA directly correlates with potential energy and structural relaxation times.
Conclusions:
- QNA effectively quantifies structural disorder in metallic liquids.
- The parameter provides insights into atomic-level structure-property relationships.
- QNA is a valuable tool for understanding metallic liquid behavior.
Related Concept Videos
02:37Metallic Solids
21.3K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
21.3K
01:25Imperfections in Crystal Structure: Point, Line and Plane Defects
46
A perfect crystal, in theory, has a uniform structure with the same unit cell and lattice points throughout. However, any deviation from this periodic arrangement is known as an imperfection or defect. These defects can be categorized into three types: point, line, and plane defects.Point defects occur when there is a deviation from the ideal due to missing atoms, displaced atoms, or additional atoms. These imperfections might occur due to imperfect packing during crystallization or because of...
46
01:29Imperfections in Crystal Structure: Non-Stoichiometric Defects
46
Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
46
02:32Bonding in Metals
55.6K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
55.6K
01:26Imperfections in Crystal Structure: Stoichiometric Point Defects
58
Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
58
01:21Polymer Classification: Crystallinity
4.2K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
4.2K