Published 1988
| Version v1
Book
Molecular dynamics studies of twist boundaries in ionic materials
Creators
- 1. Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 77 Mass. Ave., Cambridge, MA (USA)
Description
The technique of constant stress molecular dynamics (MD) has been used to study NaCl systems containing Σ-5 [001] twist boundaries interacting with the right-ion model of Tosi and Fumi. While perfect coincidence Σ-5 [001] twist boundaries were found to dissociate into free surfaces below 0.25Tm, Σ-5 [001] anticoincidence twist boundaries with Schottky defects on the boundaries were stable up to the bulk melting temperature. Grain boundary thermodynamic properties, including the excess entropy and excess free energy of stable boundaries with 464 and 944 ions were calculated by molecular dynamics from low temperatures to bulk melting
Additional details
Publishing Information
- Publisher
- Materials Research Society.
- Imprint Place
- Pittsburgh, PA (USA)
- ISBN
- 0-931837-92-8
- Imprint Title
- Interfacial structure, properties and design
- Imprint Pagination
- 609 p.
- Series
- Materials Research Society symposium proceedings. Volume 122.
- Journal Page Range
- p. 135-138.
Conference
- Title
- Interfacial structure, properties and designs in solids.
- Dates
- 5-9 Apr 1988.
- Place
- Reno, NV (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 21050751
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- DISLOCATION PINNING; DYNAMICS; ENTROPY; GRAIN BOUNDARIES; IONS; LOW TEMPERATURE; MATERIALS; MELTING; MOLECULES; SCHOTTKY DEFECTS; SODIUM CHLORIDES; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; CHARGED PARTICLES; CHLORIDES; CHLORINE COMPOUNDS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; HALIDES; HALOGEN COMPOUNDS; MECHANICS; MICROSTRUCTURE; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; POINT DEFECTS; SODIUM COMPOUNDS; VACANCIES
Optional Information
- Secondary number(s)
- CONF-8804112--.