74PP44--1111 PP44--1111 Computational MDebonding Computational M Debonding J. Zhou 1,2, I. Watanabe 1 Research Center for Structural Materials, National Institute for Materials Science (NIMS) J. Zhou 1,2, I. Watanabe2 Graduate School of Pure and Applied Sciences, University of Tsukuba 1 Research Center for Structural Materials, National Institute for Materials Science (NIMS) 3 Graduate School of Engineering, The University of Tokyo 2 Graduate School of Pure and Applied Sciences, University of Tsukuba 3 Graduate School of Engineering, The University of Tokyo A finite volume interface is an interface region with interface strength, and is most often generated during the fabrication (3D printing) of a duplex structure. However, it is often neglected in morphology A finite volume interface is an interface region with interface strength, and is most often generated design due to numerical complexity and computational difficulties. In addition, a sharp and perfect-during the fabrication (3D printing) of a duplex structure. However, it is often neglected in morphology bonding interface is usually assumed in literatures. However, such assumptions bring failure risks, thus design due to numerical complexity and computational difficulties. In addition, a sharp and perfect-limiting the industrial applicability of the morphology designs of duplex structures. This study aims to bonding interface is usually assumed in literatures. However, such assumptions bring failure risks, thus identify the optimal morphology design though a computational design method, considering the finite limiting the industrial applicability of the morphology designs of duplex structures. This study aims to volume interface and debonding of a duplex structure. This method is based on topology optimization, identify the optimal morphology design though a computational design method, considering the finite which utilizes a level-set function for optimizing material distribution in the design space. To introduce volume interface and debonding of a duplex structure. This method is based on topology optimization, finite volume interfaces in morphology design, a simple interface debonding model is integrated into which utilizes a level-set function for optimizing material distribution in the design space. To introduce implicit finite element analysis, based on the finite strain theory. Moreover, a distance function is finite volume interfaces in morphology design, a simple interface debonding model is integrated into employed to describe the interface region in addition to a level-set function for topology optimization. implicit finite element analysis, based on the finite strain theory. Moreover, a distance function is Further, a topological derivative based on an adjoint variable method is formulated for a debonding employed to describe the interface region in addition to a level-set function for topology optimization. interface state in a nonlinear finite element analysis, which is incorporated in topology optimization to Further, a topological derivative based on an adjoint variable method is formulated for a debonding obtain the optimal duplex structures. The numerical demonstrations verified the applicability of the interface state in a nonlinear finite element analysis, which is incorporated in topology optimization to proposed approach. obtain the optimal duplex structures. The numerical demonstrations verified the applicability of the proposed approach. Atomistic M BCC and FCC MAtomistic M BCC and FCC MM. Wakeda 1 Research Center for Structural Materials, National Institute for Materials Science (NIMS) M. Wakeda 1 Research Center for Structural Materials, National Institute for Materials Science (NIMS) Grain boundaries (GBs) are one of the dominant factors affecting the macroscopic mechanical properties of polycrystalline metallic materials. GBs disturb dislocation motion and also become nucleation Grain boundaries (GBs) are one of the dominant factors affecting the macroscopic mechanical properties sources of dislocations. We here investigated the dislocation-small angle GB interaction and the of polycrystalline metallic materials. GBs disturb dislocation motion and also become nucleation dislocation nucleation from GB. The molecular dynamics (MD) and free-end nudged elastic band sources of dislocations. We here investigated the dislocation-small angle GB interaction and the (FENEB) simulations are useful methods to unveil the atomistic origin and dominant factors affecting dislocation nucleation from GB. The molecular dynamics (MD) and free-end nudged elastic band dislocation-GB interactions. We systematically investigated the interaction between edge/screw (FENEB) simulations are useful methods to unveil the atomistic origin and dominant factors affecting dislocations and low-angle tilt/twist GBs in BCC Fe using MD techniques. The interaction is dominated dislocation-GB interactions. We systematically investigated the interaction between edge/screw by the structures of GB dislocations at low-angle GBs. In addition, the type of incident dislocations dislocations and low-angle tilt/twist GBs in BCC Fe using MD techniques. The interaction is dominated (such as edge or screw) also plays an important role in the interaction. Dislocation nucleation from the by the structures of GB dislocations at low-angle GBs. In addition, the type of incident dislocations free surface was also investigated using FENEB method, which can evaluate the activation energy for (such as edge or screw) also plays an important role in the interaction. Dislocation nucleation from the the nucleation event at zero kelvin. From FENEB results, we can also evaluate activation energy, which free surface was also investigated using FENEB method, which can evaluate the activation energy for is one of the important properties of the nucleation event. For BCC and FCC metals, we obtained the nucleation event at zero kelvin. From FENEB results, we can also evaluate activation energy, which activation energy and activation volume of the dislocation nucleation event from the free surface. The is one of the important properties of the nucleation event. For BCC and FCC metals, we obtained obtained result suggests that the normalized energy barrier for dislocation nucleation depends on the activation energy and activation volume of the dislocation nucleation event from the free surface. The crystalline lattice structure as well as the element. These results should be fundamental knowledge of obtained result suggests that the normalized energy barrier for dislocation nucleation depends on the the GB-related strengthening mechanism in polycrystalline metals. crystalline lattice structure as well as the element. These results should be fundamental knowledge of the GB-related strengthening mechanism in polycrystalline metals. PP44--1122 odeling of Nanoscale Interaction between Dislocation and Grain Boundary in PP44--1122 odeling of Nanoscale Interaction between Dislocation and Grain Boundary in 1 and T. Ohmura 1 1 and T. Ohmura 1 orphology Design of Duplex Structure Considering Interface orphology Design of Duplex Structure Considering Interface etals etals 1,2 and T. Yamada 1,3 1,2 and T. Yamada 1,3 Poster Presentation ｜NIMS Award Symposium 2023 P4 ｜ Modeling
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