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Luo, Runding (author), Hu, D. (author), Qian, Cheng (author), Liu, Xu (author), Fan, Xuejun (author), Zhang, Kouchi (author), Fan, J. (author)Nano-metal materials have received considerable attention because of their promising performance in wide bandgap semiconductor packaging. In this study, molecular dynamics (MD) simulation was performed to simulate the nano-Cu sintering mechanism and the subsequent mechanical behaviors. Hybrid sintering, comprising nanosphere (NS) and...journal article 2024
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Liu, Xu (author), Hu, D. (author), Li, Z. (author), Fan, Xuejun (author), Zhang, Kouchi (author), Fan, J. (author)The nano-copper particles are widely used in the sintering processes of packaging wide bandgap semiconductors. Despite the significant success in the industry, the mechanism bridging the sintering process to the mechanical properties of sintered nano-copper is not yet well-modeled. In this paper, the impacts of different sintering temperatures...conference paper 2024
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Ren, S. (author), Liu, X. (author), Erkens, S. (author)The low-temperature relaxation and fatigue cracking performance are two essential aspects in estimating the rejuvenation efficiency of recycling agents (RAs). This study aims to fundamentally investigate the effects of recycling agent type/dosage and aging degree of bitumen on thermodynamic and rheological properties of rejuvenated bitumen at...journal article 2024
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Ren, S. (author), Liu, X. (author), Erkens, S. (author)This study implements molecular dynamics (MD) simulations to explore the atomic-level energy properties of rejuvenated bitumen, considering the influence of different recycling agent (RA) types, dosages and aging levels of bitumen. Moreover, the potential correlations between energy indices and high-temperature performance of rejuvenated bitumen...journal article 2024
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Gao, Y. (author), Liu, X. (author), Ren, S. (author), Assaf Martinez-Streignard, E.I. (author), Liu, Pengfei (author), Zhang, Yuqing (author)Bitumen fatigue resistance is critical to determine the overall fatigue performance and service life of asphalt pavements. However, the mechanisms responsible for fatigue damage of bitumen have previously not been well understood. Molecular dynamics (MD) simulation has recently emerged as a powerful computer-aided numerical technique to model...journal article 2024
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Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, Peng (author), Erkens, S. (author)Pdb2dat, developed in Python, is an open-source, self-contained utility that facilitates the conversion of PDB files into LAMMPS data files, catering to the need of initializing atomistic simulation from initial atomic configurations. It extracts molecular details from PDB files, uses Rdkit and Xyz2mol for bonding analysis and 3D conformer...journal article 2024
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Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, P. (author), Erkens, S. (author)The advent of computational techniques, particularly atomistic simulations, has lessened the dependency on physical experiments in various scientific fields. Yet, the preparation complexity for simulations using platforms like LAMMPS and GROMACS persists. We introduce SMI2PDB, a Python tool that automates molecular systems assembly from SMILES...journal article 2024
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Qian, Cheng (author), Hu, D. (author), Liu, Xu (author), Fan, Xuejun (author), Zhang, Kouchi (author), Fan, J. (author)Nano-metal materials sintering has received increasing attention in recent years for its promising performance in the wide bandgap semiconductor packaging. In this paper, molecular dynamics (MD) simulation method were applied to simulate the nano-Cu sintering mechanism and the subsequent mechanical behavior. Hybrid sintering, comprising...conference paper 2023
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Wang, Xinyue (author), Yang, Zhoudong (author), Zhang, Kouchi (author), Zhang, Jing (author), Liu, Pan (author)With the popularization of wide band-gap power modules in offshore wind power systems and water surface photovoltaic power stations, packaging materials face challenges of corrosion by salt, blended with high humidity. Copper-silver (Cu-Ag) composite sintered paste was proposed by researchers as a novel die-attach material for a lower cost...conference paper 2023
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Li, Mengyu (author), Bai, Yahan (author), Zhuang, Wei (author), Liu, Jinle (author), Wang, Zhi (author), Rao, Yuan (author), Li, Mengran (author), Ying, Hanjie (author), Ouyang, Pingkai (author)A novel magnetic 2D/2D heterogeneous structure MXene@NiFe-LDH@Fe<sub>3</sub>O<sub>4</sub> was prepared for immobilization of laccase. In this work, two-dimensional MXene nanosheets with abundant surface functional groups were heterogeneously assembled with layered double hydroxide (LDH) by in situ co-precipitation method, and magnetic...journal article 2023
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Yuan, Yiping (author), Liu, Zhou (author), Chen, Zhe (author), Hoej Jensen, Kim (author), Popov, M. (author)With the increasing penetration of converter-interfaced generators, the frequency containment reserve (FCR) from conventional generators keeps going down, leading to a potential risk of frequency instability under contingencies. Consequently, Converter-interfaced generators are required to provide FCR and participate in the corrective...journal article 2023
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Bai, Wei (author), Xu, X. (author), Liu, Yaolan (author), Liang, Yunxiao (author), Shen, Yijie (author), Han, Zhenyu (author), Sheng, Zhendong (author), Chen, Rong (author), Zhu, Minhao (author)Systematic experimental investigations were conducted to study the microstructures and impact toughness of each heat affected zone (HAZ) formed during rail flash-butt welding. A high-strength carbide-free bainitic rail steel was subjected to different thermal simulation cycles to separately reproduce each HAZ subzone by tailoring the peak...journal article 2023
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Lu, T. (author), Liang, X. (author), Liu, C. (author), Chen, Y. (author), Li, Z. (author)This study experimentally investigated the effects of surfactants and water-repelling agents on the hydration process, relative humidity, and mechanical properties of Portland cement pastes. Based on the measurement results, the degree of hydration, degree of saturation, capillary tension of autogenous shrinkage, and magnitude of autogenous...journal article 2023
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Hu, D. (author), Qian, Cheng (author), Liu, X. (author), Du, L. (author), Sun, Zhongchao (author), Fan, X. (author), Zhang, Kouchi (author), Fan, J. (author)As a promising technology for high-power and high-temperature power electronics packaging, nanocopper (nanoCu) paste sintering has recently received increasing attention as a die-attachment. The high-temperature deformation of sintered nanoCu paste and its underlying mechanisms challenge the reliability of high-power electronics packaging. In...journal article 2023
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Wang, Xinyue (author), Yang, Zhoudong (author), Wang, Boya (author), Chen, Wei (author), Zhang, Kouchi (author), Zhang, Jing (author), Fan, J. (author), Liu, P. (author)Power modules applied in offshore applications are facing risks of corrosion failures on die-attach materials due to high humidity and H<sub>2</sub>S exposure. To investigate such corrosion behavior for sintered die-attach materials, we conducted a study with four groups of samples fabricated using copper and silver metal particles under...journal article 2023
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Liu, S. (author), Zhou, Yangxiao (author), Zang, Yining (author), McClain, M.E. (author), Wang, Xu sheng (author)The Yongding River (Beijing, China) was dry most times of the year, and groundwater storage was severely depleted. To address this issue, a river rehabilitation project was initiated. A downstream environmental flow release (EFR) project from upstream reservoirs has been implemented since 2019. This study evaluated the impact of EFR by...journal article 2023
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Zhao, Y. (author), Datta, Kunal (author), Paggiaro, Giulia (author), Liu, Hanchen (author), Fardousi, Mohua (author), Santbergen, R. (author), Procel Moya, P.A. (author), Han, C. (author), Yang, G. (author), Weeber, A.W. (author), Zeman, M. (author), Mazzarella, L. (author), Isabella, O. (author)Monolithic perovskite/c-Si tandem solar cells have attracted enormous research attention and have achieved efficiencies above 30%. This work describes the development of monolithic tandem solar cells based on silicon heterojunction (SHJ) bottom- and perovskite top-cells and highlights light management techniques assisted by optical simulation...journal article 2023
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Ren, S. (author), Liu, X. (author), Gao, Y. (author), Jing, R. (author), Lin, P. (author), Erkens, S. (author), Wang, H. (author)This study aims to multiscale investigate the effects of rejuvenator type, temperature, and aging degree of bitumen on the diffusion behaviors of rejuvenators (bio-oil BO, engine-oil EO, naphthenic-oil NO, and aromatic-oil AO) in aged binders. The molecular dynamics (MD) simulation method is performed to detect the molecular-level diffusion...journal article 2023
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Ren, S. (author), Liu, X. (author), Erkens, S. (author)The relaxation behavior affected by aging and rejuvenation plays a crucial role in its low-temperature cracking potential of bitumen. However, there are limited studies on the relaxation performance of rejuvenated bitumen under different rejuvenation conditions. This paper aims to propose critical indicators to assess the rejuvenation efficiency...journal article 2023
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Huang, R. (author), Zhao, Xuan (author), Yuan, Y. (author), Yu, Qiang (author), Liu, Chengqing (author), Daamen, W. (author)Pedestrian tactical choices and operational movement in evacuations essentially pertain to decision-making under risk and uncertainty. However, in microscopic evacuation models, this attribute has been greatly overlooked, even lacking a methodology to delineate the related decision characteristics (bounded rationality and risk attitudes), let...journal article 2023