Imperial College London
Alternate

Professor WE (Bill) Lee FREng

Faculty of Engineering, Institute for Security Science & Technology

Distinguished Research Fellow
 
 
 
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Contact

 

w.e.lee Website

 
 
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Assistant

 

Miss Eva Konstantara +44 (0)20 7594 8864

 
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Location

 

Abdus Salam LibrarySouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Zapata-Solvas:2017:10.1111/jace.14742,
author = {Zapata-Solvas, E and Christopoulos, SRG and Ni, N and Parfitt, DC and Horlait, D and Fitzpatrick, ME and Chroneos, A and Lee, WE},
doi = {10.1111/jace.14742},
journal = {Journal of the American Ceramic Society},
pages = {1377--1387},
title = {Experimental synthesis and density functional theory  investigation of radiation tolerance of Zr(Al–,Si)C MAX phases},
url = {http://dx.doi.org/10.1111/jace.14742},
volume = {100},
year = {2017}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Synthesis,  characterisation  and  density  functional theory  calculations  have  been combined to examine the formation of the Zr3(Al1–xSix)C2 quaternary MAX phases and the intrinsic defect processes in Zr3AlC2 and Zr3SiC2. The MAX phase family is extended by demonstrating that Zr3(Al1–xSix)C2, and particularly compositions with x ≈ 0.1, can be formed  leading  here  to  a  yield  of  59  wt.%.  It  has  been  found  that  Zr3AlC2  –  and  by extension Zr3(Al1–xSix)C2 – formation rates benefit from the presence of traces of Si in the reactant mix, presumably through the in situ formation of ZrySiz phase(s) acting as a nucleation substrate for the MAX phase. To investigate the radiation tolerance of Zr3(Al1–xSix)C2 we have also considered the intrinsic defect properties of the end members. Aelement Frenkel reaction for both Zr3AlC2 (1.71 eV) and Zr3SiC2 (1.41 eV) phases are the lowest  energy  defect  reactions.  For  comparison  we  consider  the  defect  processes  in Ti3AlC2 and Ti3SiC2 phases. It is concluded that Zr3AlC2 and Ti3AlC2 MAX phases are more  radiation  tolerant  than  Zr3SiC2  and  Ti3SiC2 respectively.  Their  applicability  as cladding materials for nuclear fuel is discussed.
AU  - Zapata-Solvas,E
AU  - Christopoulos,SRG
AU  - Ni,N
AU  - Parfitt,DC
AU  - Horlait,D
AU  - Fitzpatrick,ME
AU  - Chroneos,A
AU  - Lee,WE
DO  - 10.1111/jace.14742
EP  - 1387
PY  - 2017///
SN  - 1551-2916
SP  - 1377
TI  - Experimental synthesis and density functional theory  investigation of radiation tolerance of Zr(Al–,Si)C MAX phases
T2  - Journal of the American Ceramic Society
UR  - http://dx.doi.org/10.1111/jace.14742
UR  - http://hdl.handle.net/10044/1/43504
VL  - 100
ER  -
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