Article
Polymer Science
Zhiyu Zhang, Yachen Wang, Peilei Liu, Tianle Chen, Guanyi Hou, Lin Xu, Xue Wang, Zhenpeng Hu, Jun Liu, Liqun Zhang
Summary: The research explores two molecular dynamics simulation methods to analyze the mechanical properties of SBR materials, namely the stepwise deformation and relaxation method and the method of dividing the entire deformation process into several parts. These methods can more accurately simulate and predict the mechanical properties of elastomers compared to traditional methods.
Review
Chemistry, Physical
Ronghai Wu, Yunsong Zhao, Qian Yin, Jiapo Wang, Xing Ai, Zhixun Wen
Summary: Ni-based superalloys are key materials for hot-end components of aeroengines, and studies on their atomistic simulation methods mainly focus on the relationship between micro-defects and mechanical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Joonchul Kim, Minseong Hong, Junho Song, Namjung Kim, Kyoungmin Min
Summary: By comparing the mechanical behavior between atomistic structures and 3D-printed zeolite structures, it is confirmed that there is similarity in the mechanical responses at the atomic scale and macro-scale. Further analysis was conducted to understand the relationship between structural characteristics and mechanical properties, aiming to anticipate potential applications of mechanical meta-materials.
MATERIALS & DESIGN
(2023)
Article
Construction & Building Technology
Waleed A. Al-Awsh, Mohammed A. Al-Osta, Ashraf A. Bahraq, Habib-ur-Rehman Ahmed, Qasem A. Drmosh, Omar S. B. Al-Amoudi, Shamsad Ahmad, Tawfik A. Saleh
Summary: The complexity of predicting the mechanical behavior of cementitious materials during the hydration process poses a challenge. This study successfully developed a molecular model of cement paste using a novel molecular modeling method. The model accurately predicted the strength and stiffness of cement-nRM composites. The molecular models can also be utilized to predict durability properties and gain insights into the mechanical performance of blended mixtures.
JOURNAL OF BUILDING ENGINEERING
(2023)
Article
Polymer Science
Wang Zihan, Kang Peibin, Wu Tianyu, Chen Dongli, Yang Xiaoping, Sui Gang
Summary: In this study, molecular dynamics simulation was used to investigate the network structure of epoxy-amine system. A new method for classifying loop defects and loop structures was proposed, and a novel structural parameter was introduced to evaluate the contribution of loops to the network. Comparisons of different loop structures in epoxy network were successfully achieved, providing valuable insights into the crosslinked network characteristics of resin systems.
Article
Polymer Science
Chao Liu, Hong Yang, Liangen Shen, Lei Shi, Qing Yin, Yan Bao, Jianzhong Ma
Summary: In this study, a series of shape-memory, self-healing aqueous polyurethane (SMPU) were synthesized based on the molecular self-assembly design. The SMPU exhibited superior self-healing ability (healing efficiency 96.3%), excellent mechanical properties (tensile strength 39.1 MPa and elongation at break 908%), and recyclable capabilities. Moreover, SMPU showed a noteworthy shape memory effect with high shape fixation and recovery rates.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Polymer Science
Xing Chen, Claire Tougne, Tao Jiang, M. Espindola-Rodriguez, Qi Zhao, Qian Jia, Hakima Mendil-Jakani, Jianjun Jiang, Wenjing Zhang
Summary: Electrospinning is a versatile and low-cost method for fabricating PVDF nanofibers. This study used the Taguchi design method to investigate the influence of manufacturing parameters on fiber morphology and diameter. Rational control of the solvent ratio was found to balance the competition between molecular chain stretching and relaxation, leading to optimized PVDF nanofibers.
Article
Chemistry, Physical
Karinna Mendanha, Leonardo Bruno Assis Oliveira, Guilherme Colherinhas
Summary: The use of computational resources for modeling organic nanostructures from peptides has great potential in understanding molecular interactions and the self-assembly process. In this study, molecular dynamics simulations were used to investigate the structure and energy of a membrane formed by the sequence R2F4R2. The results emphasize the importance of hydrogen bonds and the accurate characterization of the hydrophobic and hydrophilic structure of the peptide. Additionally, the study suggests a possible relationship between the observed thickness of peptide sheets and the formation of multilaminar membranes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Ceramics
Qinqin Xu, Jerome Chevalier, Jonathan Amodeo
Summary: This study investigates the mechanical response and deformation mechanism of alpha-Al2O3 nanoparticles under compression using classical molecular dynamics simulations. The results show that these nanoparticles can withstand elevated force before yielding due to a surface nucleation process involving various dislocations and nanotwins, which are sensitive to orientation and temperature. The findings are explained in terms of stacking-fault energy and shear stress analysis and compared with recent micromechanical tests and observations in bulk materials.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Polymer Science
Qionghai Chen, Wanhui Huang, Liqun Zhang, Li Xi, Jun Liu
Summary: The incorporation of sacrificial hydrogen bonds is critical for the development of rubber materials with exceptional properties. In this study, molecular dynamics simulations were used to investigate the impact of hydrogen bonds on the structure, mechanical properties, and viscoelasticity of rubber materials. The results showed that increasing the hydrogen bond content can increase the glass transition temperature and adjusting the hydrogen bond crosslinking network can achieve optimal mechanical properties and low mechanical losses. Furthermore, adjusting the hydrogen bond cluster can improve the self-healing efficiency of the materials.
Article
Chemistry, Physical
Xingyu Wang, Tianlai Yu, Yuxuan Wu, Yingjie Sheng, Yifan Wang, Yutong Hang
Summary: This paper investigates and evaluates the compatibility and mechanical properties of two-component polyurethane at multiple scales using molecular dynamics simulation and macroscopic experiments. The results provide important guidelines for the synthesis and preparation of two-component polyurethanes.
Article
Engineering, Multidisciplinary
Weiwei Zhang, Xin Zhang, Zhaolu Qin, Jiyu He, Yanhua Lan, Wenchao Zhang, Rongjie Yang
Summary: The paper presents a new material PMPP with improved properties by incorporating polysilsesquioxanes. Experimental results show that polysilsesquioxanes can enhance the mechanical performance, heat resistance, and fire resistance of the material.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Anshuo Xu, Qun Zu, Shuai Wu, Bo Yang, Libin Zhao, Ning Hu
Summary: The impact of internal stress on the scratching behavior of titanium single crystal is explored through molecular dynamics simulations, using compressive/tensile pre-strain. The model with compressive pre-strain exhibits higher friction force compared to the model with tensile pre-strain, attributed to atomistic spacing and pile-up distribution. Plastic deformation is dominated by three types of dislocations: edge dislocation loop, prism edge dislocation, and screw dislocation. The coupling of dislocation loop and screw dislocation in the model with tensile pre-strain results in more defects in the matrix, while a small compressive pre-strain decreases the dislocations in the matrix and reduces internal crystal damage. Overall, compressive/tensile internal stress has a significant impact on scratching behavior, providing an avenue for altering the friction and wear properties of titanium.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Polymer Science
Mengyu Zhou, Jun Liu, Guanyi Hou, Haibo Yang, Liqun Zhang
Summary: This study investigates the relationship between the structures and mechanical properties at the interface of silica/SBR using molecular dynamics simulation. The results show that different grafting fractions of KH550 can influence the adsorbed chain amount, length, and mechanical behavior of the system. Introducing chemical bonding significantly increases the interfacial tensile strength and reduces the structural differences between the interface and the bulk system.
Article
Materials Science, Multidisciplinary
Liang Zhang, Kun Qian, Bjorn W. Schuller, Yasushi Shibuta
Summary: The mechanical properties of non-equiatomic CuFeNiCrCo HEAs were predicted using molecular dynamics (MD) simulation combined with machine learning (ML) methods. A database was established through tensile tests on 900 HEA single-crystal samples, and the kernel-based extreme learning machine (KELM) model outperformed others for predicting yield stress and Young's modulus. The study demonstrates that computational simulation combined with ML methods is an efficient way to predict the mechanical performance of HEAs, providing new ideas for accelerating the development of novel alloy materials for engineering applications.
Article
Reproductive Biology
Ran Li, Xin Wang, Qinghao Meng, Liqi Ren, Jieyang Weng, Shen Wang, Jinsheng Sun
INVERTEBRATE REPRODUCTION & DEVELOPMENT
(2020)
Article
Materials Science, Multidisciplinary
Zhengyi Mao, Kunkun Zhu, Lulu Pan, Guo Liu, Tao Tang, Yunhu He, Jianpan Huang, Jinlian Hu, Kannie W. Y. Chan, Jian Lu
ADVANCED MATERIALS TECHNOLOGIES
(2020)
Article
Chemistry, Multidisciplinary
Md Anwar Jahid, Jinlian Hu, Suman Thakur
Article
Chemistry, Applied
Guanzheng Wu, Siming Li, Jiayu Hu, Manchen Dong, Ke Dong, Xiuliang Hou, Xueliang Xiao
Summary: This study explored the working principle of a capacitive pressure sensor and prepared a high sensitivity sensor by overlaying carbon fibers (CFs) on the surfaces of the thermoplastic elastomer (TPE). The sensor with excellent mechanical properties and electrical conductivity showed outstanding sensing stability under 10% applied strains.
PIGMENT & RESIN TECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Syed W. Hasan, Zain Taha, Qinghao Meng, Jianmin Shen, Taiyu Lyu, Jinhui Zhu, Changzheng Li, Zhi Qun Tian, Pei Kang Shen
APPLIED MATERIALS TODAY
(2020)
Article
Chemistry, Multidisciplinary
Wang Chen, Mengli Hu, Junyu Zong, Xuedong Xie, Qinghao Meng, Fan Yu, Li Wang, Wei Ren, Aixi Chen, Gan Liu, Xiaoxiang Xi, Fang-Sen Li, Jian Sun, Junwei Liu, Yi Zhang
Summary: Inspired by enhanced interface interactions, this study found that the 1T' phase of WSe2 may be more stable than the 2H phase. By growing WSe2 monolayers on SrTiO3 (100) substrate, a 100% single 1T' phase was achieved. In-plane compressive strain at the interface drove the 1T'-WSe2 into a semimetallic phase.
ADVANCED MATERIALS
(2021)
Article
Biochemical Research Methods
Ming Zeng, Xiaonei Zhang, Chunyu Zhao, Xiangzhe Lu, Qinghao Meng
Summary: The proposed GRP-DNet classification system shows outstanding performance in accurately identifying seizures and epilepsy from single-channel, long-term EEG signals. With a classification accuracy of 100% in all six classification experiments and excellent computational efficiency, GRP-DNet demonstrates tremendous potential for developing an EEG-based online epilepsy diagnosis system and outperforms existing competitive classification systems in the same database.
JOURNAL OF NEUROSCIENCE METHODS
(2021)
Article
Polymer Science
Yuanchi Zhang, Jinlian Hu
Summary: This study modified graphene oxide and incorporated it into a nanocomposite of polyurethane and tourmaline, resulting in fibers with improved mechanical properties and negative ion releasing performance. The fibers released significantly more negative ions and showed a significant decrease after applying voltage.
Article
Nanoscience & Nanotechnology
Mohammad Irfan Iqbal, Fengxin Sun, Bin Fei, Qingyou Xia, Xin Wang, Jinlian Hu
Summary: The study indicates that water-actuated woolen knitwear has great potential in smart textile production, with fabric structure playing a crucial role in water actuation and clothing cooling performance. Unbalanced knit structures prepared using water-responsive descaled wool fibers can enhance the thermal management abilities of single jersey. This material may find wide applications in fields like thermoregulation, functional clothing, sportswear, and medical care.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Multidisciplinary
Jia-Ying Wang, Qing-Hao Meng, Xing-Wei Jin, Zhe-Hua Sun
Summary: This study proposed seven design schemes of handheld e-nose bionic chamber for liquor recognition, inspired by the structural characteristics of mammalian nasal cavity. Through fluid dynamics simulation, the selected bionic chamber was found to have higher recognition rate in identification experiments of six liquors when compared with an ordinary square gas chamber.
Article
Engineering, Marine
Lin Yu, Qinghao Meng, Hongwei Zhang
Summary: This study designed a multi-joint autonomous underwater vehicle for rapid and flexible vertical exploration of deep-sea structures, focusing on 3D modeling and attitude control. An LQR control method was used to solve the coupling and disturbance issues of the MJ-AUV, with simulation results showing the achievement of design objectives in the control system.
JOURNAL OF MARINE SCIENCE AND ENGINEERING
(2021)
Review
Engineering, Electrical & Electronic
Tao Jing, Qing-Hao Meng, Hiroshi Ishida
Summary: This paper reviews the recent progress and development trends in the field of robot odor source localization, discussing research works grouped into four categories based on method principles. The paper also examines predictions of odor source direction and distance through in situ sensing and development of simulators, highlighting future outlooks for the field's flourishing.
IEEJ TRANSACTIONS ON ELECTRICAL AND ELECTRONIC ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Mohammad Irfan Iqbal, Shi Shuo, Yuanzhang Jiang, Bin Fei, Qingyou Xia, Xin Wang, Wenbo Hu, Jinlian Hu
Summary: The COVID-19 pandemic has significantly influenced personalized protection and healthcare, particularly in the area of respiratory masks. A new study has found that combining wool and melt-blown polypropylene in a bio-based respirator can provide superior protection and comfort, offering a new perspective for the development of future respiratory masks.
ADVANCED MATERIALS TECHNOLOGIES
(2021)
Article
Optics
Weiping Liu, Jichuan Xiong, Juan Liu, Jing Zhu, Jinlian Hu, Lianping Hou, John H. Marsh, Muhua Yi, Xuefeng Liu
Summary: Accurate identification of shape and texture properties of cervical cell nuclei and cytoplasm using PIMI enables precise diagnosis of cervical cancer, with the method demonstrating the ability to reveal detailed fine structural features of cervical cells.
OPTICS COMMUNICATIONS
(2021)
Article
Engineering, Electrical & Electronic
Yin-Bo Liu, Ming Zeng, Qing-Hao Meng
Summary: In this article, a novel solution combining CNN and heatmap regression was proposed for unstructured road VP detection. By using a lightweight backbone and three advanced strategies, fast and high-precision detection was achieved, with the highest speed of 33 fps in empirical results.
IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT
(2021)
