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9th Annual Composites and Advanced Materials Expo, CAMX 2023

作者： Deshpande, Amit M. Sadiwala, Rushabh Brown, Nathan Lavertu, Pierre-Yves Pradeep, Sai Aditya Headings, Leon M. Zhao, Ningxiner Losey, Brad Hahnlen, Ryan Dapino, Marcelo J. Li, Gang Pilla, Srikanth Center for Composite Materials University of Delaware NewarkDE19716 United States Department of Mechanical Engineering University of Delaware NewarkDE19716 United States Department of Mechanical Engineering Clemson University ClemsonSC29634 United States Department of Materials Science and Engineering University of Delaware NewarkDE19716 United States Clemson Composites Center Clemson University GreenvilleSC29607 United States Department of Automotive Engineering Clemson University GreenvilleSC29607 United States Department of Mechanical & Aerospace Engineering The Ohio State University ColumbusOH43210 United States Strategic Research Operations Honda Development & Manufacturing of America LLC United States Department of Chemical and Biomolecular Engineering University of Delaware NewarkDE19716 United States

ISBN: (纸本)9781934551448

Transportation accounts for almost a third of all energy consumption and emissions in the U.S. With an emphasis on improving the energy efficiency of vehicles and transitioning to electrified vehicles, lightweighting has become relevant to compensate for the added complexity of battery packs and hybrid powertrains. Lightweight materials such as aluminum, magnesium, and fiber-reinforced plastic (FRP) composites can reduce the vehicle's structural mass, the body-in-white (BIW), by up to 50%. However, the higher proportion of large sports utility vehicles (SUVs) and trucks in the North American fleet poses a challenge, as the larger size and high production scale of the structural components for this segment can significantly increase material costs. Thus, a multi-material approach to deploy FRP composites at select locations in an existing metal BIW can help advance composites design, integration, and manufacturing technologies. Furthermore, these designs can be translated for future EV structures. This study utilizes a systems approach to 1) establish design targets through structural analysis of the baseline SUV BIW design under various static and dynamic load cases, 2) conceptualize multi-material designs, and 3) assess the designs to meet lightweighting, cost, and sustainability objectives. Sustainable recycled carbon fiber-reinforced composites and other cost-effective FRP composite materials manufactured using state-of-the-art high-pressure resin transfer molding (HP RTM) technology were assessed for use in structural elements. An ultrasonic additive manufacturing (UAM) technique was implemented to produce mechanically interlocked metal-fiber transition joints to serve as a joining mechanism between fibers and metals in the multi-material design. To incorporate the transition joint design into the topology optimization scheme, a high-fidelity model of the fiber-metal transition joints that describes the fiber-oriented interactions between the fibers, cured-epoxy

关键词： Cost effectiveness

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Analysis of Palm Oil Hydrodeoxygenation Pathway Selectivity Based on Oxygen Quantification

SSRN

引用

SSRN 2023年

作者： Zhao, Fangyu Chen, Zhentao Hu, Linxie Wang, Bo Zhang, Runqing Yan, Yan Jiang, Tao Jiang, Qianmin Xu, Chunming State Key Laboratory of Heavy Oil Processing China University of Petroleum Beijing102249 China Department of Chemical Engineering Sichuan University of Science & Engineering Zigong643002 China Department of Chemical and Biomolecular Engineering Rice University HoustonTX77005 United States

Hydrogenation of palm oil over commercial NiMo/Υ-Al2O3 catalysts and the effect of operating conditions were investigated in an autoclave with a continuous H2 flow mode. Methanation as the side reactions were taken into account in the reaction path selectivity for the first time. Three competing reaction pathways of hydrodecarboxylation, hydrocarbonation, and direct hydrodeoxygenation were clearly distinguished by quantifying the oxygen in the aqueous, organic, and gas phases. The results corroborated that the temperature and hydrogen supply were crucial to oxygen removal and the selectivity of the HDO pathways. Methane is the predominant gas product rather than propane during triglyceride deoxygenation, in which 87-100% of the methane production comes from the glycerol skeleton of the triglyceride and the rest comes from the CO methanation. Lower temperature favored the direct HDO route, while the selectivity of the HDCO and HDCO2 reactions preferred a higher temperature. HDO dominated the hydrodeoxygenation process under all H2 supply conditions, followed by the HDCO2 pathway and the HDCO reaction. This study brings the understanding of the vegetable oil triglyceride hydrodeoxygenation process to the molecular level and can potentially guide the upgrade of hydrodeoxygenation catalysts and the optimization of process conditions. © 2023, The Authors. All rights reserved.

关键词： Palm oil

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Advances in AAV capsid engineering: Integrating rational design, directed evolution and machine learning

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Molecular Therapy 2025年第5期33卷 1937-1945页

作者： Nisanov, Alan M. Rivera de Jesús, Julio A. Schaffer, David V. Department of Chemistry University of California Berkeley Berkeley 94720 CA United States Department of Chemical and Biomolecular Engineering University of California Berkeley Berkeley 94720 CA United States Department of Bioengineering University of California Berkeley Berkeley 94720 CA United States Graduate Program in Bioengineering University of California Berkeley San Francisco and University of California Berkeley 94720 CA United States Department of Neurological Surgery University of California San Francisco 94143 CA United States Department of Molecular and Cell Biology University of California Berkeley Berkeley 94720 CA United States

Adeno-associated virus (AAV) has emerged as a highly promising vector for human gene therapy due to its favorable safety profile, versatility, and ability to transduce a wide range of tissues. However, natural AAV serotypes have shortcomings, including suboptimal transduction efficiency, pre-existing immunity, and a lack of tissue specificity, that hinder their therapeutic potential. To address these challenges, significant efforts are being applied to engineer novel AAV capsids. Rational design leverages structural insights to enhance capsid properties, directed evolution enables unbiased selection of superior variants, and machine learning accelerates discovery by computational analysis of high-throughput screening results to enable predictive algorithms. These strategies have yielded novel capsids with improved transduction efficiency, reduced immunogenicity, and enhanced tissue targeting. Future advances that continue to integrate such multi-disciplinary approaches will further drive the clinical translation of AAV-based therapies. © 2025 The Authors

关键词： AAV directed evolution gene therapy high-throughput screening machine learning next generation sequencing NGS rational design

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Two-step machine learning enables optimized nanoparticle synthesis

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npj Computational Materials 2021年第1期7卷 498-507页

作者： Flore Mekki-Berrada Zekun Ren Tan Huang Wai Kuan Wong Fang Zheng Jiaxun Xie Isaac Parker Siyu Tian Senthilnath Jayavelu Zackaria Mahfoud Daniil Bash Kedar Hippalgaonkar Saif Khan Tonio Buonassisi Qianxiao Li Xiaonan Wang Department of Chemical and Biomolecular Engineering National University of SingaporeSingaporeSingapore Singapore-MIT Alliance for Research and Technology SMART SingaporeSingapore Institute for Infocomm Research Agency for ScienceTechnology and Research(A*STAR)SingaporeSingapore Institute of Materials Research&Engineering SingaporeSingapore Department of Materials Science and Engineering Nanyang Technological UniversitySingaporeSingapore Massachusetts Institute of Technology CambridgeMAUSA Department of Mathematics National University of SingaporeSingaporeSingapore Institute of High Performance Computing SingaporeSingapore

In materials science,the discovery of recipes that yield nanomaterials with defined optical properties is costly and *** this study,we present a two-step framework for a machine learning-driven high-throughput microfluidic platform to rapidly produce silver nanoparticles with the desired absorbance *** a Gaussian process-based Bayesian optimization(BO)with a deep neural network(DNN),the algorithmic framework is able to converge towards the target spectrum after sampling 120 *** the dataset is large enough to train the DNN with sufficient accuracy in the region of the target spectrum,the DNN is used to predict the colour palette accessible with the reaction *** remaining interpretable by humans,the proposed framework efficiently optimizes the nanomaterial synthesis and can extract fundamental knowledge of the relationship between chemical composition and optical properties,such as the role of each reactant on the shape and amplitude of the absorbance spectrum.

关键词： spectrum synthesis. synthesis

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Effect of Concentration and Residence Time of Joncryl■ADR4368 on Melt Processability of Poly(3-hydroxybutyrate)

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Journal of Renewable Materials 2024年第12期12卷 2079-2094页

作者： Jéssica da Silva Chagas JoséElson Soares Filho Natália Fernanda Inocêncio Silva Marcelo Massayoshi Ueki Eliton Souto de Medeiros Renate Maria Ramos Wellen Mauricio Pinheiro de Oliveira Gelsoneide da Silva Gois Yêda Medeiros Bastos de Almeida Amélia S.F.Santos Post-Graduation Program in Materials Engineering(PPCEM) Federal University of Paraíba(UFPB)João PessoaPB 58051-900Brazil Laboratory of Materials and Biosystems(LAMAB) Federal University of Paraíba(UFPB)João PessoaPB 58051-900Brazil Department of Materials Engineering Federal University of Sergipe(UFS)Jardim Rosa ElzeSão CristóvãoSE 49100-000Brazil Institute of Science and Technology Federal University of São Paulo(UNIFESP)São Josédos CamposSP 12231-280Brazil Department of Chemical Engineering Federal University of Pernambuco(UFPE)Cidade UniversitáriaRecifePE 50670-901Brazil

Poly(3-hydroxybutyrate)(PHB)is a biothechnological and biodegradable thermoplastic polymer from the polyhydroxyalkanoates(PHAs)family,whose chain regularity,high molecular weight,and physical and mechanical properties comparable to polypropylene(PP)are characteristics that have made PHB a prominent commercial ***,its susceptibility to thermal degradation and hydrolysis has limited many *** address the challenges associated with processing,a random copolymer of 95.86 mol%3-hydroxybutyrate and 4.14 mol%3-hydroxyvalerate(referred as PHB)was compounded without(neat PHB)and with 0.25,0.5,1,and 1.5 wt%of chain extender(Joncryl■ADR 4368),consisting of multifunctional epoxy groups,and melt mixed in an internal mixer at 170℃,50 rpm,and residence times of 5,10,and 15 *** effect of chain extender concentration and residence time on the effectiveness of Joncryl■ADR 4368 to recover the pristine PHB properties were investigated through torque rheometry,melt flow index(MFI),differential scanning calorimetry(DSC),tensile testing,and thermogravimetric *** results indicated that an increase in residence time strongly influenced the prevalence of thermomechanical degradation reactions over chain extension reactions of PHB during processing in the molten *** residence times favored chain extension,while longer times favored chain *** trend led to no enhancement of PHB mechanical properties processed for 10 and 15 min,regardless of additive content *** flow index,thermogravimetric analysis and tensile strength exhibited an asymptotic behavior with the increase in additive concentration,exhibiting a noteworthy improvement in tensile strength and temperature at the highest rate of thermal degradation(TMAX),and a decrease in melt flow index of neat PHB with only 0.25 wt%of additive mixed for 5 *** results found in this work allow additional data for processing PHB by manipulating the ratios of multifunctional chain

关键词： PHB chain extender degradation epoxy groups viscosity

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Analysis of Palm Oil Hydrodeoxygenation Pathway Selectivity Based on Oxygen Quantification

SSRN

引用

SSRN 2023年

Hydrogenation of palm oil over commercial NiMo/g-Al2O3 catalysts and the effect of operating conditions were investigated in an autoclave with a continuous H2 flow mode. Three competing reaction pathways of hydrodecarboxylation, hydrocarbonation, and direct hydrodeoxygenation were clearly distinguished by quantifying the oxygen in the aqueous, organic, and gas phases. The results corroborated that the temperature and hydrogen supply were crucial to oxygen removal and the selectivity of the HDO pathways. Methane is the predominant gas product rather than propane during triglyceride deoxygenation, in which 87-100% of the methane production comes from the glycerol skeleton of the triglyceride and the rest comes from the CO methanation. Lower temperature favored the direct HDO route, while the selectivity of the HDCO and HDCO2 reactions preferred a higher temperature. HDO dominated the hydrodeoxygenation process under all H2 supply conditions, followed by the HDCO2 pathway and the HDCO reaction. © 2023, The Authors. All rights reserved.

关键词： Palm oil

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Graph-Network-Based Predictive Modeling for Highly Cross-Linked Polymer Systems

arXiv

引用

arXiv 2023年

作者： Lee, Wonseok Chong, Sanggyu Kim, Jihan Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology 291 Daehak-ro Yuseong-gu Daejeon34141 Korea Republic of

In this study, a versatile methodology for initiating polymerization from monomers in highly cross-linked materials is investigated. As polymerization progresses, force-field parameters undergo continuous modification due to the formation of new chemical bonds. This dynamic process not only impacts the atoms directly involved in bonding, but also influences the neighboring atomic environment. Monitoring these complex changes in highly cross-linked structures poses a challenge. To address this issue, we introduce a graph-network-based algorithm that offers both rapid and accurate predictions. The algorithm merges polymer construction protocols with LAMMPS, a large-scale molecular dynamics simulation software. The adaptability of this code has been demonstrated by its successful application to various amorphous polymers, including porous polymer networks (PPNs), and epoxy-resins, while the algorithm has been employed for additional tasks, such as implementing pore-piercing deformations and calculating material properties. © 2023, CC BY-NC-ND.

关键词： Crosslinking

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Correction: Concurrent electrode-electrolyte interfaces engineering via nano-Si3N4 additive for high-rate, high-voltage lithium metal batteries (Energy and Environmental science (2025) 18 (3148-3159) DOI: 10.1039/D4EE03862B)

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Energy and Environmental science 2025年第11期18卷 5657-5657页

作者： Jinuk Kim Dong Gyu Lee Juhyun Lee Saehun Kim Cheol-Young Park Jiyoon Lee Hyeokjin Kwon Hannah Cho Jungyoon Lee Donghyeok Son Hee-Tak Kim Nam-Soon Choi Tae Kyung Lee Jinwoo Lee Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology (KAIST) 291 Daehak-ro Daejeon 34141 Republic of Korea Department of Materials Engineering and Convergence Technology Gyeongsang National University (GNU) 501 Jinju-daero Jinju 52828 Republic of Korea

The name of author Juhyun Lee was spelled incorrectly (as Ju Hyun Lee) in the author list. This author’s name should appear as shown above. The Royal Society of Chemistry apologises for these errors and any consequen...

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3D Bioprinting of Alginate Biogel with Gelatin-Coated Octa-Calcium Phosphate Micro/Nanoparticles for Bone Tissue engineering

SSRN

引用

SSRN 2024年

作者： Tolmacheva, Nelli Bhattacharyya, Amitava Kim, DaJeong Noh, Insup Convergence Institute of Biomedical Engineering and Biomaterials Seoul National University of Science and Technology Seoul01811 Korea Republic of Department of Chemical and Biomolecular Engineering Seoul National University of Science and Technology Seoul01811 Korea Republic of PSG Institute of Advanced Studies India

Alginate biogel with gelatin- coated octa-calcium phosphate (OCP) particles has great potential for improving 3D printability and biofunctionality for bone tissue engineering. In this study, micro/nano-OCP particles were co-precipitated with different concentrations of gelatin (1.5, 2.0, 2.5, and 3.0 wt.%) during the particle synthesis process to promote bioactivity, cell supportiveness, and osteogenic properties of the alginate biogel. The OCP particles loaded alginate biogels were investigated for their printability, mechanical and biological performances. The average particle diameter of the 1.5 wt.% gelatin-coated OCP was 35% smaller than that with gelatin untreated. The mechanical properties of the gelatin-OCP loaded biogels exhibited not only lower load resistance, approximately 40% decrease in hardness, but also lower printability, except for 1.5 wt.% gelatin-coated OCP, which made it difficult to print multi-layered structures. In vitro tests showed the biogel with gelatin-coated OCP demonstrated enhanced cell viability and growth rate ( © 2024, The Authors. All rights reserved.

关键词： Bone

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Electrochemical Performance of a Water-Based LiFePO4 Cathode for Li-Ion Batteries

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Defect and Diffusion Forum 2022年 417卷 163-168页

作者： Chanhaew, Araya Aranmala, Komsak Darmawan, Luthfi Mursid Nisa, Shofirul Sholikhatun Nurohmah, Anisa Raditya Meethong, Nonglak Materials Science and Nanotechnology Program Department of Physics Faculty of Science Khon Kaen University Muang District Khon Kaen40002 Thailand Department of Chemical Engineering Faculty of Engineering Universitas Sebelas Maret Central Java Surakarta57126 Indonesia Centre of Excellence for Electrical Energy Storage Technology Universitas Sebelas Maret Central Java Surakarta57146 Indonesia Khon Kaen University Muang District Khon Kaen40002 Thailand

Lithium iron phosphate (LiFePO4) has received much attention because it can provide high power density, abundant raw materials, safety, low toxicity, and high thermal stability. In general, the production of LiFePO4 cathode uses Polyvinylidene fluoride (PVDF) as a binder and N-Methyl-2-Pyrrolidone (NMP) as a solvent. These components are expensive, toxic, and can affect the environment. Therefore, to cover this shortcoming, the solvent and binder were replaced in this study. The solvent is replaced with water, which is more environmentally friendly and abundant, while the binder is replaced with water soluble binders. Suitable electrode formulations were investigated to obtain high performance cylindrical typed Li-ion batteries. As a result, Formula B (ratio of LiFePO4: AB: KS6: SBR: CMC = 90: 3: 3: 2.677: 1.333) has the highest specific discharge capacity of 120 mAh/g. The NMP-based cathode can give about 145 mAh/g. Therefore, the water-based cathode LiFePO4 gives a value that is slightly lower the NMP-based formular. © 2022 Trans Tech Publications Ltd, Switzerland.

关键词： Lithium compounds

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