APro, developed by KAERI as a process-based total system performance assessment model, can simulate the radionuclide transport affected by thermal, hydraulic, mechanical and geochemical changes that may occurs in the engineering and natural barriers of a geological disposal system. APro targets a large-scale and heterogeneous 3D system that includes more than 10,000 boreholes located about 500 m underground and hundreds of fractures of different sizes distributed within an area of several km2. Simulating transport and reaction phenomena for such a system through the global implicit approach (GIA) may require considerable computational resources or be intractable in some cases. Therefore, APro adopts the sequential non-iterative approach (SNIA), one of the operator splitting (OS) methods, to separate the mass transport and reaction phenomena into independent problems. By using SNIA, the parallel computation performance in APro with multiple cores is expected to be improved. In this study, the effect of SNIA on the parallel computation performance was analyzed through a simple 1D reactive transport problem. Without SNIA, finite difference equations, discretized from the partial differential equations (PDEs) describing the reactive transport problem, have to be solved at once because all dependent variables are nonlinearly and spatially interconnected through reaction and mass transport terms. When the reaction and mass transport terms are separated through SNIA, the mass transport problem can be converted into independent linear equations for each chemical and the efficient linear system solver can be applied to each linear equation. In particular, since the reaction problem is changed to independent nonlinear equations for each node, the parallel computation performance can be greatly improved. To verify this, the 1D reactive transport problem was implemented in MATLAB, and SNIA and GIA were applied to solve the problem. As a result, there was no significant difference in results between SNIA and GIA for proper spatial and temporal discretization, which verified the accuracy of SNIA. In order to see the parallel computation performance, the calculation times for SNIA and GIA with increasing number of cores were measured and compared. As the number of cores increased, the SNIA calculation speed became faster than that of GIA, which verified that SNIA could improve parallel computation performance in APro. In the future, the effect of SNIA on the parallel computation performance will be verified for the numerical analysis of large-scale geological disposal systems.

페리다이나믹스 이론과 이진분해 기법의 병렬연산을 이용하여 동적 균열진전 문제에 대한 애조인 형상 설계민감도 해석법을 개발하였다. 페리다이나믹스에서는 균열의 연속적인 분기를 다룰 수 있으며, Explicit 시간적분법을 채택한다. 설계민감도 해석은 애조인 변수법은 경로의존성 문제에는 적합하지 않으나 여기서는 응답해석의 경로를 이미 알고 있으므로 채택하여 사용할 수 있었다. 얻어진 해석적 설계민감도는 유한차분과 비교하여 그 정확성을 검증하였다. 유한차분법은 설계섭동량에 민감하여 비선형성이 강한 페리다이나믹스 문제에서 부정확한 설계민감도를 제시할 수 있다. 정확한 설계민감도 해석을 위해서는 이산화과정에서 C1 연속성을 가지는 체적율이 필요함을 알 수 있었다.