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Related Concept Videos

Metallic Solids02:37

Metallic Solids

20.4K
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....
20.4K
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility02:34

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

50.0K
Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
50.0K
Bonding in Metals02:32

Bonding in Metals

51.6K
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”. 
51.6K
Valence Bond Theory02:42

Valence Bond Theory

11.1K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.1K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

30.4K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.4K
Extraction: Advanced Methods00:56

Extraction: Advanced Methods

1.0K
Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
1.0K

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Updated: Jan 7, 2026

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys
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Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys

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Graph-Theory Approach to Element Miscibility and Alloy Design.

Andrew Martin1, Kien Nguyen2, Sebastian Zaatini1

  • 1Department of Materials Science & Engineering, North Carolina State University, Raleigh, North Carolina, USA.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|December 20, 2025
PubMed
Summary
This summary is machine-generated.

Discovering new materials is hard with millions of combinations. Graph theory helps predict element miscibility for better alloy design and material properties.

Keywords:
alloy designelemental interactioninterface designmiscibilitynetwork theory

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Network Science

Background:

  • Millions of elemental combinations pose challenges for discovering new materials.
  • Stable mixtures are crucial for alloy design and enhanced material properties.
  • Thermodynamic interactions significantly influence material characteristics.

Purpose of the Study:

  • To apply graph theory for mapping thermodynamic relationships between elements.
  • To identify potentially miscible element pairs and their related elements.
  • To define and quantify element miscibility across the periodic table.

Main Methods:

  • Utilized graph theory to represent thermodynamic parameters between elements.
  • Applied closeness centrality and Lipschitz-Hölder exponent to define miscibility.
  • Compared graph-based predictions with CALPHAD and Miedema's models.

Main Results:

  • Identified clusters of hyper- and hypo-centrality indicating high and low solubility.
  • Successfully mapped element relationships and predicted favorable mixtures.
  • Validated the graph-based approach against established models.

Conclusions:

  • Graph theory provides a robust framework for understanding element miscibility.
  • The approach is adaptable for machine learning, enabling predictions under extreme conditions.
  • This method offers a novel pathway for accelerated materials discovery.