• Journal of the Computational Structural Engineering Institute of Korea
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• v.26 no.6
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• pp.409-413
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• 2013

In this paper, we device stress-diffusion full coupling multiscale analysis method for battery electrode simulation. In proposed method, the diffusive and mechanical properties of electrode material depend on Li concentration are estimated using density function theory(DFT) simulation. Then, stress-diffusion full coupling continuum formulation based on finite element method(FEM) is constructed with the diffusive and mechanical properties calculated from DFT simulation. Finally, silicon nanowire anode charge and discharge simulations are performed using the proposed method. Through numerical examples, the stress-diffusion full coupling method shows more resonable results than previous one way continuum analysis.

• Tunnel and Underground Space
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• v.29 no.4
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• pp.262-279
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• 2019

In the engineering barriers of high-level radioactive waste disposal, gases could be generated through a number of processes. If the gas production rate exceeds the gas diffusion rate, the pressure of the gas increases and gases could migrate through the bentonite buffer. Because people and the environment can be exposed to radioactivity, it is very important to clarify gas migration in terms of long-term integrity of the engineered barrier system. In particular, it is necessary to identify the hydro-mechanical mechanism for the dilation flow, which is a very important gas flow phenomenon only in medium containing large amounts of clay materials such as bentonite buffer, and to develop and validate new numerical approach for the quantitative evaluation of the gas migration phenomenon. Therefore, in this study, we developed a two-phase flow model considering the mechanical damage model in order to simulate the gas migration in the engineered barrier system, and validated with 1D gas flow modelling through saturated bentonite under constant volume boundary conditions. As a result of numerical analysis, the rapid increase in pore water pressure, stress, and gas outflow could be simulated when the dilation flow was occurred.