Theory of Diffusion under Stress in Interstitial Alloys

Nazarov, Andrei V.; Mikheev, Alexander

doi:10.1238/physica.topical.108a00090

Cited by 14 publications

(16 citation statements)

References 2 publications

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“…Even for such simple geometry, we have not yet investigated the stability of the crack after it is nucleated, where it might be necessary to consider different boundary conditions on the newly formed crack surfaces (which are reported to form solid electrolyte interphase and degrade the battery performance). Second, the effect of hydrostatic stress can influence the chemical potential (Li, 1978;Yang, 2005;Zhang et al, 2007) as well as the activation energy for diffusion (Nazarov and Mikheev, 2004), introducing strongly non-linear terms in the governing equation and boundary conditions. The full coupling between stress and diffusion is expected to be important to model electrode in a strongly confined environment.…”

Section: Summary and Discussionmentioning

confidence: 99%

Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Bhandakkar

Gao

2010

International Journal of Solids and Structures

180

103

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a b s t r a c tRecent advances in lithium-ion battery electrodes with huge volume changes during intercalation-deintercalation cycles are calling for studies on crack nucleation under diffusion induced stresses. Here we develop a cohesive model of crack nucleation in an initially crack-free strip electrode under galvanostatic intercalation and deintercalation processes. The analysis identifies a critical characteristic dimension below which crack nucleation becomes impossible. The critical size and other predictions of the model are compared to recent experiments on silicon nanowire electrodes. The results suggest nanostructured electrodes are highly promising for applications in high capacity batteries.

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Section: Summary and Discussionmentioning

confidence: 99%

Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Bhandakkar

Gao

2010

International Journal of Solids and Structures

180

103

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“…In the first part of our paper we give a brief consideration to the main features of the theory of diffusion under strain [5][6][7] and to present the general equations for the fluxes in interstitial alloys under strain. This approach gives the possibility to use the mentioned equations at low temperatures, in conditions where the strain influence on the diffusion fluxes is manifested in maximal degree.…”

Section: Introductionmentioning

confidence: 99%

“…Johnson [4] has treated the interactions for a nonspherical defect near a dislocation using isotropic elasticity theory and has determined the first-order shape-effect elastic interaction. In presented work we study redistribution kinetics of defects in the vicinity of dislocations using our theory of diffusion under stress [5][6][7] and taking into account the strain generated by dislocations.…”

Section: Introductionmentioning

confidence: 99%

Kinetics of segregation formation in the vicinity of edge dislocation in fcc metals

Nazarov

Mikheev

Ershova

et al. 2016

IOP Conf. Ser.: Mater. Sci. Eng.

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We use new equations for the interstitial impurity diffusion fluxes under strain to study impurity atom redistribution in the vicinity of dislocations. Two levels of simulation are applied. The first one is evaluation of coefficients that determine the influence of strain tensor components on interstitial diffusion fluxes in FCC structures. For this purpose we have developed a model into the framework of a molecular static method taking into account an atom environment both near the interstitial site and for the saddle-point configuration. The second level is modeling the interstitial segregation formation based on nonlinear diffusion equations that take strains generated by defects into account. The results show that the distributions of the interstitials near the dislocations have quite complicated characters and the vacancy distribution has a qualitatively different character as compared with the carbon distribution.

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“…Much attention is given to studying of the defect kinetics and stress evolution during semiconductor processing because defect and stress engineering can significantly improve the device performance. 1, 2,9 For example, many efforts are directed to a study of the stress-mediated diffusion of impurity atoms and point defects, 10,11,12,13,14 including the influence of elastic stresses on the drift of point defects near the surface or at the interfaces, 15,16,17 and near different inhomogeneities of semiconductor crystals. 10,18 .…”

Section: Introductionmentioning

confidence: 99%

Simulation of the diffusion of point defects in structures with local elastic stresses

Velichko¹

2011

Applied Mathematical Modelling

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The stress-mediated diffusion of nonequilibrium point defects from the surface to the bulk of the semiconductor is investigated by computer simulation. It is supposed that point defects are generated in the surface region by ion implantation and during diffusion pass over the local region of elastic stresses because the average defect migration length is greater than the thickness and depth of the strained layer. Within the strained layer point defect segregation or heavily defect depletion occur if defect drift under stresses is directed respectively in or out of the layer. On the other hand, the calculations show that, in contrast to the case of local defect sink, the local region of elastic stresses practically does not change the distribution of defects beyond this region if there is no generation/absorption of point defects within the strained layer.

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Theory of Diffusion under Stress in Interstitial Alloys

Cited by 14 publications

References 2 publications

Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Kinetics of segregation formation in the vicinity of edge dislocation in fcc metals

Simulation of the diffusion of point defects in structures with local elastic stresses

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