Published April 2016 | Version v1
Journal article Metadata-only

Vacancy enhanced formation and phase transition of Cu-rich precipitates in α - iron under neutron irradiation

Creators

  • 1. Corrosion and Protection Center, Key Laboratory of Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing, 100083 (China)
  • 2. Basic Experimental Center of Natural Science, University of Science and Technology Beijing, Beijing, 100083 (China)
  • 3. Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Canada, T6G2V4 (Canada)
  • 4. China Institute of Atomic Energy, Beijing, 102413 (China)

Description

In this paper, we employed both molecular statics and molecular dynamics simulation methods to investigate the role of vacancies in the formation and phase transition of Cu-rich precipitates in α-iron. The results indicated that vacancies promoted the diffusion of Cu atoms to form Cu-rich precipitates. After Cu-rich precipitates formed, they further trapped vacancies. The supersaturated vacancy concentration in the Cu-rich precipitate induced a shear strain, which triggered the phase transition from bcc to fcc structure by transforming the initial bcc (110) plane into fcc (111) plane. In addition, the formation of the fcc-twin structure and the stacking fault structure in the Cu-rich precipitates was observed in dynamics simulations.

Additional details

Identifiers

DOI
10.1063/1.4946784;

Publishing Information

Journal Title
AIP Advances
Journal Volume
6
Journal Issue
4
Journal Page Range
p. 045004-045004.9
ISSN
2158-3226
CODEN
AAIDBI

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
48057823
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BCC LATTICES; CONCENTRATION RATIO; COPPER ADDITIONS; DIFFUSION; FCC LATTICES; IRON-ALPHA; IRRADIATION; MOLECULAR DYNAMICS METHOD; NEUTRONS; PHASE TRANSFORMATIONS; PHYSICAL RADIATION EFFECTS; PRECIPITATION; SIMULATION; STACKING FAULTS; STRAINS; TRAPPING; VACANCIES
Descriptors DEC
ALLOYS; BARYONS; CALCULATION METHODS; COPPER ALLOYS; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DIMENSIONLESS NUMBERS; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; HADRONS; IRON; METALS; NUCLEONS; POINT DEFECTS; RADIATION EFFECTS; SEPARATION PROCESSES; THREE-DIMENSIONAL LATTICES; TRANSITION ELEMENT ALLOYS; TRANSITION ELEMENTS

Optional Information

Notes
(c) 2016 Author(s)