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Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials

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Physical Review materials 2023年第10期7卷 104001-104001页

作者： María Camarasa-Gómez Ashwin Ramasubramaniam Jeffrey B. Neaton Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of Science Rehovoth 7610001 Israel Department of Mechanical and Industrial Engineering University of Massachusetts Amherst Amherst Massachusetts 01003 USA Materials Science and Engineering Graduate Program University of Massachusetts Amherst Amherst Massachusetts 01003 USA Department of Physics University of California Berkeley California 94720 USA Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA Kavli Energy NanoSciences Institute at Berkeley University of California Berkeley California 94720 USA

The accurate description of electronic properties and optical absorption spectra is a long-standing challenge for density functional theory. Recently, the introduction of screened range-separated hybrid (SRSH) functionals for solid-state materials has allowed for the calculation of fundamental band gaps and optical absorption spectra that are in very good agreement with many-body perturbation theory. However, since solid-state SRSH functionals are typically tuned to reproduce the properties of bulk phases, their transferability to low-dimensional structures, which experience substantially different screening than in the bulk, remains an open question. In this work, we explore the transferability of SRSH functionals to several prototypical van der Waals materials, including transition-metal sulfides and selenides, indium selenide, black phosphorus, and hexagonal boron nitride. Considering the bulk and a monolayer of these materials as limiting cases, we show that the parameters of the SRSH functional can be determined systematically, using only the band-edge quasiparticle energies of these extremal structural phases as fitting targets. The resulting SRSH functionals can describe both electronic band structures and optical absorption spectra with accuracy comparable to more demanding ab initio many-body perturbation theory (GW and Bethe-Salpeter equation) approaches. Selected examples also demonstrate that the SRSH parameters, obtained from the bulk and monolayer reference structures, display good accuracy for band structures and optical spectra of bilayers, indicating a degree of transferability that is independent of the fitting procedure.

关键词： 2-dimensional systems Density functional theory First-principles calculations GW method

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Propolis nanoemulsion extract from celebes stingless bee (Tetragonula biroi) phytochemistry and antibacterial analysis to periodontopathogen bacteria

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Journal of Oral Biology and Craniofacial Research 2025年第3期15卷 576-584页

作者： Amalia, Nadya Rafika Budhy, Theresia Indah Ridwan, Rini Devijanti Rianti, Devi Bramantoro, Taufan Luthfi, Muhammad Ramadhani, Nastiti Faradilla Pramusita, Adya Putranti, Nurul Aisyah Rizki Nugraha, Albertus Putera Situmorang, Putri Cahaya Shariff, Khairul Anuar Nugraha, Alexander Patera Dental Health Science Study Program Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Oral and Maxillofacial Pathology Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Oral Biology Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Dental Material Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Dental Public Health Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Dentomaxillofacial Radiology Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Department of Orthodontic Faculty of Dental Medicine Universitas Airlangga Surabaya Indonesia Faculty of Medicine Universitas Airlangga Surabaya Indonesia Biology Study Program Faculty of Mathematics and Natural Sciences Universitas Sumatera Utara Medan Indonesia School of Materials and Mineral Resources Engineering Engineering Campus Universiti Sains Malaysia Penang Nibong Tebal 14300 Malaysia

Background: Propolis from Sulawesi's stingless bees (Tetragonula biroi) contains antioxidants, more flavonoids than propolis from Apis bees, and the antibacterial ability. Objective: to examine the antibacterial properties of Propolis Nanoemulsion Extract (PNE), which is extracted from the Celebes Stingless Bee (T. biroi), in relation to the periodontopathogen bacteria such as Fusobacterium nucleatum (Fn), Porphyromonas gingivalis (Pg), Aggregatibacter actinomycetemcomitans (Aa), and Provotella intermedia (Pi). This investigation also examines PNE's phytochemistry, particle size analysis (PSA), and zeta potential. Methods: The maceration process with 96 % ethanol was used to create PNE from Celebes stingless bee (T. biroi), which was then subjected to zeta potential measurement and PSA. Phytochemical analysis was used to identify phytochemical constituents in the PNE (T. biroi). Diffusion zone, minimum bactericidal concentration (MBC), and minimum inhibitory concentration (MIC) were used to assess antibacterial efficacy against Aa, Pg, Pi, and Fn. Furthermore, the statistical analysis was used to extract the data. Results: Phenols, alkaloids, and flavonoids were identified;however, triterpenoids and saponins were not. Between 151.28 and 182.2 diameter nanometers (***) was the range of the PNE's diameter. At 1.56 % propolis (T. biroi) concentration, the MIC, MBC, and diffusion zone analysis performed better than at 0.76 %, with a significant difference (p:0.01;p < 0.05) to Aa, Pg, Pi, and Fn. Conclusions: The highest antibacterial activity against Aa, Pg, Pi, and Fn as periodontopathogen bacteria is demonstrated by alkaloids, flavonoids, and phenols in PNE from Celebes (T. biroi) at a concentration of 1.56 %. © 2025 The Authors

关键词： Antibacterial Communicable disease Infectious disease Medicine Periodontal disease

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Spatially differentiated life cycle assessment of Thailand's transport: The implications from country-specific factors and alternative technologies

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Sustainable Production and Consumption 2025年 57卷 319-340页

作者： Vitoon Chotanapund Shabbir H. Gheewala Vladimir Strezov Nazmul Huda Jitti Mungkalasiri Trakarn Prapaspongsa Graduate Program in Environmental and Water Resources Engineering Department of Civil and Environmental Engineering Faculty of Engineering Mahidol University Nakhon Pathom Thailand School of Natural Sciences Faculty of Science and Engineering Macquarie University NSW 2109 Australia The Joint Graduate School of Energy and Environment (JGSEE) King Mongkut's University of Technology Thonburi Bangkok Thailand Center of Excellence on Energy Technology and Environment Ministry of Higher Education Science Research and Innovation Ministry of Education Bangkok Thailand School of Engineering Faculty of Science and Engineering Macquarie University NSW 2109 Australia Technology and Informatics Institute for Sustainability (TIIS) National Metal and Materials Technology Center (MTEC) National Science and Technology Development Agency (NSTDA) Pathum Thani Thailand

This study proposed country-specific characterisation factors (CFs) for Thailand by modifying the Thai Spatially Differentiated Life Cycle Impact Assessment (ThaiSD) method and introducing monetary conversion factors to express environmental impacts in Thai Baht. Five impact categories were fully parameterised, including fine particulate matter formation (PMF), human toxicity (both cancer and non-cancer) (HT c and HT nc ), freshwater ecotoxicity (FET), and water scarcity (WS). Other spatialised CFs were selected from regionalisation models in ReCiPe2016 and IMPACT World+. When comparing the use of country-specific CFs with global average, the impact scores for PMF, HT c , HT nc , FET, photochemical ozone formation and terrestrial acidification demonstrated notably different levels, ranging from ±25 to ±50 %. The developed method was then applied to assess environmental impacts and costs of Thailand's transport sector, encompassing freight and passenger transport across roadway, railway, waterway, and aviation. Climate change (CC) was significantly attributed to human health and ecosystem quality impacts, while the major contributor to resource scarcity impact was fossil resource scarcity (FS). In some scenarios, non-exhaust emissions, particularly from freight trucks, accounted for 40–60 % of the total PMF impacts. Environmental costs of freight and passenger transport in Thailand were 0.08–3.64 Thai Baht per tonne-kilometre and 0.01–0.81 Thai Baht per passenger-kilometre, respectively. Among transport modes, trains were found to be the most environmentally favourable option for both passenger and freight transport, while aviation had the highest environmental impact for freight transport. In contrast, passenger aviation had a comparable environmental burden to passenger cars due to optimised occupancy rates. Despite the efficiency of modern internal combustion engine vehicles (ICEVs), particularly Euro 5 and 6, employing blended biodiesel was less effective in comp

关键词： Life cycle assessment Thai Spatially Differentiated Life Cycle Impact Assessment Freight transport Passenger transport Transport technologies

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In situ structural determination of 3d and 5d perovskite oxides under high pressure by synchrotron x-ray diffraction

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Physical Review B 2023年第13期108卷 134106-134106页

作者： Jie Chen Jiaming He Yanyao Zhang Stella Chariton Vitali Prakapenka Kazunari Yamaura Jung-Fu Lin J. B. Goodenough J.-S. Zhou Materials Science and Engineering Program Mechanical Engineering University of Texas at Austin Austin Texas 78712 USA Department of Earth and Planetary Sciences Jackson School of Geosciences The University of Texas at Austin Austin Texas 78712 USA Center for Advanced Radiation Sources The University of Chicago Illinois 60637 USA Research Center for Materials Nanoarchitectonics (MANA) National Institute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan Graduate School of Chemical Sciences and Engineering Hokkaido University North 10 West 8 Kita-ku Sapporo Hokkaido 060–0810 Japan

In contrast to the Mott transition found in RNiO3 (R= rare earths), the metal-insulator transition temperature in the perovskite NaOsO3 is not sensitive to pressure. The peculiarity may be correlated to how the crystal structure of NaOsO3 responds to high pressure, which has been rarely studied so far. The pressure-induced bond-length shrinking can increase the orbital overlap integral and therefore the electron bandwidth. However, in the orthorhombic perovskite structure, the pressure-induced bending in the bond angle Os-O-Os may compensate for the bandwidth broadening due to the bond-length shrinking in some circumstances. A recent structural study on polycrystalline NaOsO3 indicated that orthorhombic distortion is enlarged under high pressure. But, how the local structure changes under pressure remains unknown. Moreover, a highly unusual phase transition from the orthorhombic phase (Pbnm) to a polar phase (Pbn21) occurs at around 18 GPa [Sereika et al., npj Quantum Mater. 5, 66 (2020)]. Motivated by these concerns, we have done a more comprehensive structural study on NaOsO3 using single-crystal diffraction with synchrotron radiation at high pressures up to 41 GPa. Diffraction patterns over the entire pressure range can be refined well with the Pbnm structural model. Moreover, the refinement results reveal in detail how the local structures change under pressure corresponding to the enhanced orthorhombic distortion from the lattice parameters. We have carried out a systematic study for understanding the pressure effect on the orthorhombic perovskites in the context of the influences of the charge distributions in the ABO3 formula, i.e., A3+B3+O3, A2+B4+O3, and A1+B5+O3 and the B-site cations from the 3d to the 4d and 5d row of elements. To fulfill this purpose, we have revisited two families of 3d perovskites: RCrO3 and RFeO3.

关键词： Phase transitions Crystal structures X-ray diffraction

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Artificial intelligence for geoscience:Progress,challenges,and perspectives

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The Innovation 2024年第5期5卷 136-160,135页

作者： Tianjie Zhao Sheng Wang Chaojun Ouyang Min Chen Chenying Liu Jin Zhang Long Yu Fei Wang Yong Xie Jun Li Fang Wang Sabine Grunwald Bryan MWong Fan Zhang Zhen Qian Yongjun Xu Chengqing Yu Wei Han Tao Sun Zezhi Shao Tangwen Qian Zhao Chen Jiangyuan Zeng Huai Zhang Husi Letu Bing Zhang Li Wang Lei Luo Chong Shi Hongjun Su Hongsheng Zhang Shuai Yin Ni Huang Wei Zhao Nan Li Chaolei Zheng Yang Zhou Changping Huang Defeng Feng Qingsong Xu Yan Wu Danfeng Hong Zhenyu Wang Yinyi Lin Tangtang Zhang Prashant Kumar Antonio Plaza Jocelyn Chanussot Jiabao Zhang Jiancheng Shi Lizhe Wang Aerospace Information Research Institute Chinese Academy of SciencesBeijing 100094China School of Computer Science China University of GeosciencesWuhan 430078China State Key Laboratory of Mountain Hazards and Engineering Resilience Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu 610299China Key Laboratory of Virtual Geographic Environment(Ministry of Education of PRC) Nanjing Normal UniversityNanjing 210023China Data Science in Earth Observation Technical University of Munich80333 MunichGermany The National Key Laboratory of Water Disaster Prevention Yangtze Institute for Conservation and DevelopmentHohai UniversityNanjing 210098China Institute of Computing Technology Chinese Academy of SciencesBeijing 100190China School of Geographical Sciences Nanjing University of Information Science and TechnologyNanjing 210044China State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China Soil Water and Ecosystem Sciences DepartmentUniversity of FloridaPO Box 110290GainesvilleFLUSA Materials Science Engineering Program Cooperating Faculty Member in the Department of Chemistry and Department of Physics Astronomy University of CaliforniaCaliforniaRiversideCA 92521USA Institute of Remote Sensing and Geographical Information System School of Earth and Space SciencesPeking UniversityBeijing 100871China Key Laboratory of Computational Geodynamics University of Chinese Academy of SciencesBeijing 100049China International Research Center of Big Data for Sustainable Development Goals Beijing 100094China College of Geography and Remote Sensing Hohai UniversityNanjing 211100China Department of Geography The University of Hong KongHong Kong 999077SARChina Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control Nanjing 210044China School of Environmental Science and Engineering Nanjing University of Information Science&TechnologyNanjing 210044China Collaborative Inno

This paper explores the evolution of geoscientific inquiry,tracing the progression from traditional physics-based models to modern data-driven approaches facilitated by significant advancements in artificial intelligence(AI)and data collection *** models,which are grounded in physical and numerical frameworks,provide robust explanations by explicitly reconstructing underlying physical ***,their limitations in comprehensively capturing Earth’s complexities and uncertainties pose challenges in optimization and real-world *** contrast,contemporary data-driven models,particularly those utilizing machine learning(ML)and deep learning(DL),leverage extensive geoscience data to glean insights without requiring exhaustive theoretical *** techniques have shown promise in addressing Earth science-related ***,challenges such as data scarcity,computational demands,data privacy concerns,and the“black-box”nature of AI models hinder their seamless integration into *** integration of physics-based and data-driven methodologies into hybrid models presents an alternative *** models,which incorporate domain knowledge to guide AI methodologies,demonstrate enhanced efficiency and performance with reduced training data *** review provides a comprehensive overview of geoscientific research paradigms,emphasizing untapped opportunities at the intersection of advanced AI techniques and *** examines major methodologies,showcases advances in large-scale models,and discusses the challenges and prospects that will shape the future landscape of AI in *** paper outlines a dynamic field ripe with possibilities,poised to unlock new understandings of Earth’s complexities and further advance geoscience exploration.

关键词： Earth utilizing landscape

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Performance Enhancement of Electrochemiluminescence with the Immunosensor Controlled Using Magnetized Masks for the Determination of Epithelial Cancer Biomarker EpCAM

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Analytical Chemistry 2023年第2期95卷 986-993页

作者： Huang, Chun-Yao Lin, Feng-Yen Chang, Chi-Jung Lu, Chien-Hsing Chen, Jem-Kun Taipei Heart Institute Taipei Medical University 250 Wu-Hsing Street Taipei110 Taiwan Division of Cardiology and Cardiovascular Research Center Taipei Medical University Hospital 252 Wu-Hsing Street Taipei110 Taiwan Department of Internal Medicine School of Medicine College of Medicine Taipei Medical University 250 Wu-Hsing Street Taipei110 Taiwan Department of Biomedical Sciences and Engineering National Central University 300 Zhongda Road Taoyuan City320317 Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology 43 Sec. 4 Keelung Road Taipei106 Taiwan Department of Chemical Engineering Feng Chia University 100 Wenhwa Road Taichung40724 Taiwan Department of Obstetrics and Gynecology Taichung Veterans General Hospital 1650 Taiwan Boulevard Sect. 4 Taichung40705 Taiwan Institute of Biomedical Sciences Ph.D. Program in Translational Medicine Rong-Hsing Research Center for Translational Medicine National Chung-Hsing University Taichung940227 Taiwan

The performance of an electrochemiluminescence (ECL) immunosensor was improved with a particle gradient. SiO2-coated magnetic beads were adopted as nanocarriers for gradient manipulation and immobilized with the primary antibody. Cadmium telluride quantum dots were coated with a layer of protein G for conjugation and orientation of the secondary antibody as signal labels. ECL immunosensor gradients on the electrode were formed by magnetolithography (ML) with magnetized nickel masks of column and stripe arrays. The immunosensor generally aggregated as an island on the substrate, leading to a decrease of efficiency in the characteristic signals. Stripe arrays of magnetized nickel were designed to generate cylindrical magnetic flux on the substrate to improve the particle manipulation with the gradient. Various gradients of the sandwich-structured immunosensor substantially affected the electrochemical performance. Compared to the gradient-free immunosensor, the gradient of the immunosensor generated by ML using a 3 μm stripe array mask enhanced the ECL intensity ∼2.2 times. The results of quantification of epithelial cell adhesion molecules (EpCAM) with the gradient immunosensor showed a broad linear range (15-420 pg mL-1), a low limit of detection (5.5 pg mL-1), and high reliability for EpCAM-spiked serum samples, indicating that the immunosensor gradient substantially enhances the performance of the ECL assay. © 2022 American Chemical Society.

关键词： Immunosensors

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Ros-Responsive Pegylated Ferrocene Polymer Nanoparticles with Improved Stability for Tumor-Selective Chemotherapy and Imaging

SSRN

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SSRN 2023年

作者： Oh, Hyeryeon Jeong, Eunjin Lee, Jin Sil Kim, Jisu Kim, Byoung Soo Sung, Daekyung Koo, Heebeom Choi, Won Il Tae, Giyoong The Catholic University of Korea Korea Republic of Center for Bio-Healthcare Materials Bio-Convergence Materials R&D Division Korea Institute of Ceramic Engineering and Technology Cheongju28160 Korea Republic of School of Materials Science and Engineering Gwangju Institute of Science and Technology Gwangju61005 Korea Republic of Department of Medical Life Sciences Department of Biomedicine & Health Sciences Catholic Photomedicine Research Institute College of Medicine The Catholic University of Korea Seoul06591 Korea Republic of

Ferrocene-based nanoparticles have garnered interest as reactive oxygen species (ROS)-responsive nanocarriers of anticancer drugs and imaging agents. However, their biomedical applications remain limited due to their poor physiological stability. PEGylation of nanocarriers improves their stability and biocompatibility. In this study, we aimed to develop novel PEG-ferrocene nanoparticles (PFNPs) with enhanced stability and ROS responsiveness for the delivery of paclitaxel (PTX) and imaging agents. PEGylation improved the stability of ferrocene nanoparticles, inhibiting their ROS-responsive destruction. Several PEG-ferrocene polymers containing different molar ratios of methacrylic acid and poly (ethylene glycol) methyl ether methacrylate was designed for optimization. ROS-responsive polymers with optimal monomer ratios were self-assembled into PFNPs with enhanced stability. The PFNPs distended, effectively releasing encapsulated PTX and imaging agents within 8 h in the presence of ROS. Furthermore, they remained stable, with no changes in their hydrodynamic diameters or polydispersity indexes after storage in an aqueous solution and biological buffer. The accumulation of PFNPs in a tumor model in vivo was 15-fold higher than a free dye. PTX-loaded PFNPs showed a substantial tumor-suppression effect, reducing tumor size to approximately 18% of that in the corresponding control group. These findings suggest a promising application of ROS-responsive PFNPs in tumor treatment as biocompatible nanocarriers of anticancer drugs and imaging agents. © 2023, The Authors. All rights reserved.

关键词： Nanoparticles

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Effect of storage conditions on the dietary and pharmaceutical values of ginger oil, and modeling its dielectric properties

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Grasas y Aceites 2024年第4期75卷

作者： Abushal, S.A. Uguru, H. Akpomedaye, O. Kuzmin, A. Sami, R. Helal, M. Alsanei, W.A. Almehmadi, A.M. ALmasoudi, A.G. Program of Food Sciences and Nutrition Turabah University College Taif University Saudi Arabia Department of Agricultural Engineering Delta State University of Science and Technology Ozoro Nigeria Department of Electrical Engineering Delta State University of Science and Technology Ozoro Nigeria Department of Mechanization of Agricultural Products Processing National Research Mordovia State University Saransk Russia Scientific Laboratory of Advanced Composite Materials and Technologies Plekhanov Russian University of Economics Moscow Russia Department of Food Science and Nutrition College of Sciences Taif University Saudi Arabia Department of Mechanical Engineering Faculty of Engineering Taif University Saudi Arabia Department of Food and Nutrition Faculty of Human Sciences and Design King Abdulaziz University Jeddah Saudi Arabia Department of Clinical Nutrition Faculty of Applied Medical Sciences Umm Al-Qura University Makkah Saudi Arabia Program of Food Sciences and Nutrition Biology Department Branch of the College at Turbah Taif University Taif Saudi Arabia

This research was conducted to evaluate the impact of the storage conditions of ginger rhizomes on the nutritional and therapeutic properties of the ginger oil (GO). The physicochemical and phytochemical properties, fatty acid contents and dielectric constant (Ε′) of the GO were analyzed in accordance with standard guidelines. The findings revealed that the storage temperature significantly impacted the quality of GO (p ©2024 CSIC.

关键词： Polyunsaturated fatty acids

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Large tunability of the magnetoelectric effect in the Co-substituted polar antiferromagnet Ni3TeO6

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Physical Review B 2023年第2期108卷 024107-024107页

作者： J. H. Zhang L. Lin Y. S. Tang G. Z. Zhou L. Huang X. Y. Li G. Y. Li S. H. Zheng M. F. Liu X. M. Liu Z. B. Yan X. K. Huang C. Chen X. P. Jiang J.-M. Liu Laboratory of Solid State Microstructures and Department of Physics Nanjing University Nanjing 210093 China Department of Applied Physics College of Science Nanjing Forestry University Nanjing 210037 China School of Science Nanjing University of Posts and Telecommunications Nanjing 210023 China Institute for Advanced Materials Hubei Normal University Huangshi 435002 China Institute of Mathematical and Physical Sciences Jiangsu University of Science and Technology Zhenjiang 212003 China School of Materials Science and Engineering Jingdezhen Ceramic Institute Jingdezhen 333001 China

Polar magnet Ni3TeO6 has been recently attracting considerable interest due to its nonhysteretic magnetoelectricity associated with the collinear antiferromagnetic (AFM) order. Nevertheless, the magnetoelectric (ME) response in Ni3TeO6 remains trivial, and especially lacks sufficient tunability. Herein, we report large tunability of the ME effect in Co-substituted Ni3TeO6, and special attention is paid to Ni2CoTeO6 and NiCo2TeO6 single crystals where incommensurate AFM helical structure with spins lying in the ab plane is established, distinctly different from the collinear AFM structure in Ni3TeO6 along the c axis. Our results demonstrate that the Co2+ substitution results in emergence of a giant electric polarization Pc up to ∼0.52µC/cm2 induced by a magnetic field normal to the c axis, i.e., the polar axis. The generated Pc in NiCo2TeO6 is approximately 8.45 and 1.8 times larger than that of Ni2CoTeO6 and Ni3TeO6, respectively. More importantly, the linear ME coefficient α can be remarkably modulated by the Co2+ substitution, evidenced with a large α∼323ps/m for NiCo2TeO6, a small α∼3.4ps/m for Ni2CoTeO6, and an intermediate α∼36ps/m for Ni3TeO6 at temperature T∼45K. Such remarkable Co-substitution control of the ME effect is believed to be associated with the different occupations of the Ni/Co ions at the specific lattice sites. This work thus provides insights into the high-tunability ME effect in Ni3TeO6 polar magnets, a largely unexplored topic.

关键词： Electric polarization Magnetoelectric effect Antiferromagnets Multiferroics Crystal growth Magnetization measurements

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Optimal sandwich panel's core design for an enhanced impact resistance

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Heliyon 2025年第1期11卷 e41211页

作者： Charkaoui, Assil Hassan, Noha M. Bahroun, Zied Materials Science and Engineering Program College of Arts and Sciences American University of Sharjah P.O. Box 26666 Sharjah United Arab Emirates Department of Industrial Engineering College of Engineering American University of Sharjah P.O. Box 26666 Sharjah United Arab Emirates

Despite the extensive literature revealing various core structures that can enhance the impact resistance of composite panels, a comparative study illustrating the difference in performance of the various cores under same loading conditions is missing. The aim of this study is to determine the optimal core structure and design in terms of energy absorption under low-velocity impact using both numerical simulations and experimental testing for validation. Response surface analysis was used to design the experiments and analyse the panel's behaviour. A total of 160 numerical simulations were conducted by varying the core shape, density, number of layers and panel's thickness. Drop tower tests were performed to experimentally validate the results. Additive manufacturing was used to 3D print the tested structures which simplified the manufacturing process. Results provided insights on time to perforation, stiffness of the panels showcasing an inverse relationship between recoverable strain energy and equivalent plastic strain. The number of layers within the panels were identified as a pivotal factor in the energy distribution and tendency for localized plastic deformation to occur. Both numerical and experimental results revealed the superior energy absorption capabilities of the X-frame core shaped structure. Regression models developed shed light on the relationships between core height, volume fraction, number of layers, and core topology revealing the extent of damage. Multi-objective optimization was used to yield optimal configuration for sandwich panels with highest impact resistance. © 2024

关键词： Additive manufacturing Core geometry Energy absorption Impact resistance Optimization Sandwich panels

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