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      • A Deep Learning-Based Defect Detection and Inverse Design of Block Copolymer System

        안지훈,Vikram Thapar,허수미 한국고분자학회 2021 한국고분자학회 학술대회 연구논문 초록집 Vol.46 No.2

        Recently, as an emerging paradigm of material science, deep learning has shown its potential in various research fields; there have been attempts to apply deep learning in designing molecules’ structures, analyzing spectral data, and even sampling more accurate free energy landscapes. Among this unlimited potential of deep learning technology, image processing using deep learning has been particularly outstanding. Here, we propose deep learning algorithms to identify defects and quantify the ordering qualities in lamella- and cylinder-forming block copolymer films, replacing conventional defect inspection tools involved with either manual defect detections or inefficient image processing steps. We further use the developed deep learning neural networks for an inverse design of system parameters to achieve a targeting self-assembled structure.

      • Factors Controlling Uranium Level in Granitic Aquifer

        YeoJin Ju,Vikram Thapar,Ji-hun Ryu 한국방사성폐기물학회 2022 한국방사성폐기물학회 학술논문요약집 Vol.20 No.2

        Uranium (U) is hazardous material can cause chemical and radiological toxicity, e.g., kidney toxicity and health effects associated with radiation. In Korea, where shallow weathered granitic aquifers are ubiquitous, several previous studies have reported high level of radioactivity in shallow groundwater. This eventually led to the closure of 60 out of 4,140 groundwater production wells in South Korea. Here, we examined aquifers currently dedicated for drinking water supply and investigated the 11,225 dataset of 103 environmental parameters. This dataset includes 80 physical parameters associated with the hydraulic system and 23 chemical parameters associated with waterrock interactions. Among hydraulic parameters, coarse loamy texture in subsoil displayed a notable relation with U concentration level, implied it is controlling the leaching of U from host rocks. Fluorine (F), is one of major products from water-rock interaction in granitic aquifer, exhibited high correlation with U concentration distribution. Positive relation of F concentration with uranium level suggested the dissolved U originated from groundwater interacted with granites. Conclusively, we found that infiltration capacity of soil layers and (2) aqueous speciation in groundwater formulated by interaction of groundwater with local solids, played important role for U concentration in granitic aquifer.

      • Defect Annihilation Pathways in Directed Assembly of Lamellar Block Copolymer Thin Films

        Hur, Su-Mi,Thapar, Vikram,Ramí,rez-Herná,ndez, Abelardo,Nealey, Paul F.,de Pablo, Juan J. American Chemical Society 2018 ACS NANO Vol.12 No.10

        <P>Defects in highly ordered self-assembled block copolymers represent an important roadblock toward the adoption of these materials in a wide range of applications. This work examines the pathways for annihilation of defects in symmetric diblock copolymers in the context of directed assembly using patterned substrates. Past theoretical and computational studies of such systems have predicted minimum free energy pathways that are characteristic of an activated process. However, they have been limited to adjacent dislocations with opposite Burgers vectors. By relying on a combination of advanced sampling techniques and particle-based simulations, this work considers the long-range interaction between dislocation pairs, both on homogeneous and nanopatterned substrates. As illustrated here, these interactions are central to understanding the defect structures that are most commonly found in applications and in experimental studies of directed self-assembly. More specifically, it is shown that, for dislocation dipoles separated by several lamellae, multiple consecutive free energy barriers lead to effective kinetic barriers that are an order of magnitude larger than those originally reported in the literature for tightly bound dislocation pairs. It is also shown that annihilation pathways depend strongly on both the separation between dislocations and their relative position with respect to the substrate guiding stripes used to direct the assembly.</P> [FIG OMISSION]</BR>

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