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Title: Non-random walk diffusion enhances the sink strength of semicoherent interfaces

Abstract

Clean, safe and economical nuclear energy requires new materials capable of withstanding severe radiation damage. One strategy of imparting radiation resistance to solids is to incorporate into them a high density of solid-phase interfaces capable of absorbing and annihilating radiation-induced defects. Here we show that elastic interactions between point defects and semicoherent interfaces lead to a marked enhancement in interface sink strength. Our conclusions stem from simulations that integrate first principles, object kinetic Monte Carlo and anisotropic elasticity calculations. Surprisingly, the enhancement in sink strength is not due primarily to increased thermodynamic driving forces, but rather to reduced defect migration barriers, which induce a preferential drift of defects towards interfaces. The sink strength enhancement is highly sensitive to the detailed character of interfacial stresses, suggesting that ‘super-sink’ interfaces may be designed by optimizing interface stress fields. Lastly, such interfaces may be used to create materials with unprecedented resistance to radiation-induced damage.

Authors:
 [1];  [2];  [3];  [2];  [4]
  1. CEA, DAM, DIF, Arpajon (France)
  2. Univ. Paris-Saclay, Gif-sur-Yvette (France)
  3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  4. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Texas A & M Univ., College Station, TX (United States)
Publication Date:
Research Org.:
Univ. of Nebraska, Lincoln, NE (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1242984
Grant/Contract Number:  
NE0000533
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 7; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; physical sciences; materials science; condensed matter

Citation Formats

Vattré, A., Jourdan, T., Ding, H., Marinica, M. -C., and Demkowicz, M. J. Non-random walk diffusion enhances the sink strength of semicoherent interfaces. United States: N. p., 2016. Web. doi:10.1038/ncomms10424.
Vattré, A., Jourdan, T., Ding, H., Marinica, M. -C., & Demkowicz, M. J. Non-random walk diffusion enhances the sink strength of semicoherent interfaces. United States. doi:10.1038/ncomms10424.
Vattré, A., Jourdan, T., Ding, H., Marinica, M. -C., and Demkowicz, M. J. Fri . "Non-random walk diffusion enhances the sink strength of semicoherent interfaces". United States. doi:10.1038/ncomms10424. https://www.osti.gov/servlets/purl/1242984.
@article{osti_1242984,
title = {Non-random walk diffusion enhances the sink strength of semicoherent interfaces},
author = {Vattré, A. and Jourdan, T. and Ding, H. and Marinica, M. -C. and Demkowicz, M. J.},
abstractNote = {Clean, safe and economical nuclear energy requires new materials capable of withstanding severe radiation damage. One strategy of imparting radiation resistance to solids is to incorporate into them a high density of solid-phase interfaces capable of absorbing and annihilating radiation-induced defects. Here we show that elastic interactions between point defects and semicoherent interfaces lead to a marked enhancement in interface sink strength. Our conclusions stem from simulations that integrate first principles, object kinetic Monte Carlo and anisotropic elasticity calculations. Surprisingly, the enhancement in sink strength is not due primarily to increased thermodynamic driving forces, but rather to reduced defect migration barriers, which induce a preferential drift of defects towards interfaces. The sink strength enhancement is highly sensitive to the detailed character of interfacial stresses, suggesting that ‘super-sink’ interfaces may be designed by optimizing interface stress fields. Lastly, such interfaces may be used to create materials with unprecedented resistance to radiation-induced damage.},
doi = {10.1038/ncomms10424},
journal = {Nature Communications},
number = ,
volume = 7,
place = {United States},
year = {2016},
month = {1}
}

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