Point defect survival and clustering fractions obtained from molecular dynamics simulations of high energy cascades
Abstract
Evolution of high-energy displacement cascades in iron has been investigated for times up to 200 ps using molecular dynamics simulation. The simulations were carried out using the MOLDY code and a modified version of the many-body interatomic potential developed by Finnis and Sinclair. Previously reported results have been supplemented by a series of 10 keV simulations at 900 K and 20 keV simulations at 100K. Results indicate that the fraction of the Frenkel pairs escaping in-cascade recombination is somewhat higher and the fraction of the surviving point defects that cluster is lower in iron than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Many of the larger interstitial clusters were observed to exhibit a complex, three-dimensional morphology. Apparent mobility of the <111> crowdion and clusters of <111> crowdions was very high.
- Authors:
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE, Washington, DC (United States); Nuclear Regulatory Commission, Washington, DC (United States)
- OSTI Identifier:
- 192522
- Report Number(s):
- CONF-950961-4
ON: DE96004935; TRN: 96:006375
- DOE Contract Number:
- AC05-84OR21400
- Resource Type:
- Conference
- Resource Relation:
- Conference: ICFRM-7: international conference on fusion reactor materials, Obninsk (Russian Federation), 25-29 Sep 1995; Other Information: PBD: [1995]
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 70 PLASMA PHYSICS AND FUSION; IRON; PHYSICAL RADIATION EFFECTS; COMPUTERIZED SIMULATION; ATOMIC DISPLACEMENTS; FRENKEL DEFECTS; CROWDIONS; THERMONUCLEAR REACTOR MATERIALS
Citation Formats
Stoller, R E. Point defect survival and clustering fractions obtained from molecular dynamics simulations of high energy cascades. United States: N. p., 1995.
Web.
Stoller, R E. Point defect survival and clustering fractions obtained from molecular dynamics simulations of high energy cascades. United States.
Stoller, R E. 1995.
"Point defect survival and clustering fractions obtained from molecular dynamics simulations of high energy cascades". United States. https://www.osti.gov/servlets/purl/192522.
@article{osti_192522,
title = {Point defect survival and clustering fractions obtained from molecular dynamics simulations of high energy cascades},
author = {Stoller, R E},
abstractNote = {Evolution of high-energy displacement cascades in iron has been investigated for times up to 200 ps using molecular dynamics simulation. The simulations were carried out using the MOLDY code and a modified version of the many-body interatomic potential developed by Finnis and Sinclair. Previously reported results have been supplemented by a series of 10 keV simulations at 900 K and 20 keV simulations at 100K. Results indicate that the fraction of the Frenkel pairs escaping in-cascade recombination is somewhat higher and the fraction of the surviving point defects that cluster is lower in iron than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Many of the larger interstitial clusters were observed to exhibit a complex, three-dimensional morphology. Apparent mobility of the <111> crowdion and clusters of <111> crowdions was very high.},
doi = {},
url = {https://www.osti.gov/biblio/192522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Dec 31 00:00:00 EST 1995},
month = {Sun Dec 31 00:00:00 EST 1995}
}