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METALLIC INTERFACES IN HARSH CHEMO-MECHANICAL ENVIRONMENTS
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  • METALLIC INTERFACES IN HARSH CHEMO-MECHANICAL ENVIRONMENTS
  • METALLIC INTERFACES IN HARSH CHEMO-MECHANICAL ENVIRONMENTS
저자명
Yildiz. Bilge,Nikiforova. Anna,Yip. Sidney
간행물명
Nuclear engineering and technology : an international journal of the Korean Nuclear Society
권/호정보
2009년|41권 1호|pp.21-38 (18 pages)
발행정보
한국원자력학회
파일정보
정기간행물|ENG|
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기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

The use of multi scale modeling concepts and simulation techniques to study the destabilization of an ultrathin layer of oxide interface between a metal substrate and the surrounding environment is considered. Of particular interest are chemo-mechanical behavior of this interface in the context of a molecular-level description of stress corrosion cracking. Motivated by our previous molecular dynamics simulations of unit processes in materials strength and toughness, we examine the challenges of dealing with chemical reactivity on an equal footing with mechanical deformation, (a) understanding electron transfer processes using first-principles methods, (b) modeling cation transport and associated charged defect migration kinetics, and (c) simulation of pit nucleation and intergranular deformation to initiate the breakdown of the oxide interlayer. These problems illustrate a level of multi-scale complexity that would be practically impossible to attack by other means; they also point to a perspective framework that could guide future research in the broad computational science community.