Published April 2014
| Version v1
Journal article
Atomistic simulations of grain and interphase boundary mobility
Creators
- 1. Department of Materials Science and Engineering, McMaster University, Hamilton, ON (Canada)
Description
In recent years, atomistic simulations have provided valuable insights into the thermodynamic and kinetic properties of grain and interphase boundaries. In this work, we provide a brief overview of kinetic processes occurring at migrating interfaces and survey various molecular dynamics techniques for extracting grain boundary mobilities. The advantages and disadvantages of fluctuation and applied driving force methods will be discussed. In addition, we review recent examples of simulations that have identified structural phase transformations at grain boundaries. Finally, simulations that have investigated the mobility and atomic mechanisms of growth of an fcc–bcc interphase boundary are summarized. (topical review)
Availability note (English)
Available from http://dx.doi.org/10.1088/0965-0393/22/3/033001Additional details
Identifiers
Publishing Information
- Journal Title
- Modelling and Simulation in Materials Science and Engineering
- Journal Volume
- 22
- Journal Issue
- 3
- Journal Page Range
- [17 p.]
- ISSN
- 0965-0393
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 47051002
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S36: MATERIALS SCIENCE;
- Descriptors DEI
- BCC LATTICES; COMPUTERIZED SIMULATION; CRYSTAL GROWTH; FCC LATTICES; FLUCTUATIONS; GRAIN BOUNDARIES; INTERFACES; MOLECULAR DYNAMICS METHOD; PHASE TRANSFORMATIONS
- Descriptors DEC
- CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; MICROSTRUCTURE; SIMULATION; THREE-DIMENSIONAL LATTICES; VARIATIONS