Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model01:09

Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model

595
Various dissolution theories provide insight into the factors that influence the dissolution rate. Danckwerts' Model suggests that turbulence, rather than a stagnant layer, characterizes the dissolution medium at the solid-liquid interface. In this model, the agitated solvent contains macroscopic packets that move to the interface via eddy currents, facilitating the absorption and delivery of the drug to the bulk solution. The regular replenishment of solvent packets maintains the...
595
Thermodynamic Potentials01:26

Thermodynamic Potentials

1.3K
Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
1.3K
Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

14.0K
Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
14.0K
Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

19.1K
Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
19.1K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

46.4K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
46.4K
Phase Transitions: Vaporization and Condensation02:39

Phase Transitions: Vaporization and Condensation

20.0K
The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
20.0K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

A microscopic theory of small-droplet adhesion on solid surfaces.

The Journal of chemical physics·2026
Same author

Microscopic origin of droplet line tension.

The Journal of chemical physics·2026
Same author

Optimize Before You Synthesize-Enhancing the Ionic Conductivity of Li<sub>7</sub>SiPS<sub>8</sub> Using Bayesian Optimization.

Angewandte Chemie (International ed. in English)·2026
Same author

Surface morphology control of the Cassie-Wenzel transition: An energy landscape perspective.

The Journal of chemical physics·2026
Same author

A phase-field model: Contact angle hysteresis driven by multistable surface composition.

Journal of colloid and interface science·2026
Same author

Crystallization and crystal morphology of polymers: A multiphase-field study.

Journal of thermoplastic composite materials·2025

Related Experiment Video

Updated: Nov 23, 2025

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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

8.8K

Grand-potential based phase-field model for systems with interstitial sites.

P G Kubendran Amos1,2, Britta Nestler3,4

  • 1Institute of Applied Materials (IAM-CMS), Karlsruhe Institute of Technology (KIT), Strasse am Forum 7, 76131, Karlsruhe, Germany. prince.amos@kit.edu.

Scientific Reports
|December 31, 2020
PubMed
Summary

This study enhances the grand-potential phase-field model to include interstitial atoms, improving simulations of materials with complex diffusion behaviors. The new model accurately captures interstitial diffusion, crucial for understanding alloy phase transformations.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.1K
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.0K

Related Experiment Videos

Last Updated: Nov 23, 2025

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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

8.8K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.1K
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.0K

Area of Science:

  • Computational Materials Science
  • Thermodynamics
  • Phase-Field Modeling

Background:

  • Multicomponent phase-field models are essential for simulating materials," but existing models struggle with interstitial atoms.
  • Accurately modeling interstitial diffusion is critical for understanding phase transformations in alloys.

Purpose of the Study:

  • To extend the grand-potential phase-field model to incorporate interstitial sublattices.
  • To develop a framework that distinguishes between interstitial and substitutional diffusion.
  • To integrate quantitative driving forces using CALPHAD data.

Main Methods:

  • Treating interstitial atom concentrations as site-fractions.
  • Distinguishing chemical species by lattice position and diffusion mode.
  • Parabolic approximation of CALPHAD data for driving-force calculations.
  • Modeling austenite decomposition in Fe-C-Mn alloys.

Main Results:

  • Successfully adapted the grand-potential phase-field model for systems with interstitial sublattices.
  • Demonstrated the capability to differentiate interstitial from substitutional diffusion.
  • Validated the model by simulating austenite decomposition in a Fe-C-Mn system.
  • Highlighted limitations of mole-fraction formulations in paraequilibrium transformations.

Conclusions:

  • The enhanced grand-potential phase-field model effectively handles interstitial components and diffusion modes.
  • This formalism provides a more accurate approach for simulating phase transformations in complex alloys.
  • The study underscores the importance of site-fraction based approaches for interstitial systems.