skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The effect of temperature on defect production by displacement cascades in {alpha}-iron

Abstract

Molecular dynamics (MD) simulations have been used to study the number and arrangement of defects produced by displacement cascades as functions of irradiation temperature, T{sub irr}, in {alpha}-iron. The continuum treatment of heat conduction was used to adjust the temperature of the MD boundary atoms throughout the cascade process. This new hybrid model has been applied to cascades of either 2 or 5 keV at 100K, 400K, 600K and 900K. The number of Frenkel pairs decreases by about 20--30% as T{sub irr} increases from 100K to 900K, due to the increase in the lifetime of the thermal-spike phase. The same effect also brings about an increase in the proportion of self-interstitial atoms that form clusters.

Authors:
;  [1]; ;  [2]
  1. Univ. of Liverpool (United Kingdom). Dept. of Materials Science and Engineering
  2. Magnox Electric PLC, Berkeley (United Kingdom). Technology and Central Engineering Div.
Publication Date:
OSTI Identifier:
541129
Report Number(s):
CONF-961202-
ISBN 1-55899-343-6; TRN: 97:019634
Resource Type:
Book
Resource Relation:
Conference: 1996 Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 2-6 Dec 1996; Other Information: PBD: 1997; Related Information: Is Part Of Microstructure evolution during irradiation; Robertson, I.M. [ed.] [Univ. of Illinois, Urbana, IL (United States)]; Was, G.S. [ed.] [Univ. of Michigan, Ann Arbor, MI (United States)]; Hobbs, L.W. [ed.] [Massachusetts Inst. of Tech., Cambridge, MA (United States)]; Diaz de la Rubia, T. [ed.] [Lawrence Livermore National Lab., CA (United States)]; PB: 752 p.; Materials Research Society symposium proceedings, Volume 439
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMIC DISPLACEMENTS; IRON-ALPHA; MOLECULAR DYNAMICS METHOD; CRYSTAL DEFECTS; TEMPERATURE DEPENDENCE; THEORETICAL DATA

Citation Formats

Gao, F, Bacon, D J, Flewitt, P E.J., and Lewis, T A. The effect of temperature on defect production by displacement cascades in {alpha}-iron. United States: N. p., 1997. Web.
Gao, F, Bacon, D J, Flewitt, P E.J., & Lewis, T A. The effect of temperature on defect production by displacement cascades in {alpha}-iron. United States.
Gao, F, Bacon, D J, Flewitt, P E.J., and Lewis, T A. 1997. "The effect of temperature on defect production by displacement cascades in {alpha}-iron". United States.
@article{osti_541129,
title = {The effect of temperature on defect production by displacement cascades in {alpha}-iron},
author = {Gao, F and Bacon, D J and Flewitt, P E.J. and Lewis, T A},
abstractNote = {Molecular dynamics (MD) simulations have been used to study the number and arrangement of defects produced by displacement cascades as functions of irradiation temperature, T{sub irr}, in {alpha}-iron. The continuum treatment of heat conduction was used to adjust the temperature of the MD boundary atoms throughout the cascade process. This new hybrid model has been applied to cascades of either 2 or 5 keV at 100K, 400K, 600K and 900K. The number of Frenkel pairs decreases by about 20--30% as T{sub irr} increases from 100K to 900K, due to the increase in the lifetime of the thermal-spike phase. The same effect also brings about an increase in the proportion of self-interstitial atoms that form clusters.},
doi = {},
url = {https://www.osti.gov/biblio/541129}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Nov 01 00:00:00 EST 1997},
month = {Sat Nov 01 00:00:00 EST 1997}
}

Book:
Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this book.

Save / Share: