Article
Engineering, Multidisciplinary
Johannes Reiner, Thomas Feser, Matthias Waimer, Anoush Poursartip, Heinz Voggenreiter, Reza Vaziri
Summary: This study explores the challenges of finite element simulation of industrial size composite structures under crush loading, investigating the capabilities, limitations, and challenges of physically-based axial crush simulation of composite structures without the use of non-physical parameters for model calibration. It highlights the unsuitability of crack band scaling in CDM-based material models for axial crushing simulations dominated by fragmentation.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Engineering, Mechanical
Xiaoqiang Niu, Fengxiang Xu, Zhen Zou, Yifan Zhu, Libin Duan, Zhanpeng Du, Hongfeng Ma
Summary: The study proposes novel bio-honeycombs by introducing the micro-structure of horsetail stems into regular hexagonal honeycomb (RH) cells, which improves the crushing resistance. Experimental and finite element (FE) analysis show a significant interaction effect between the introduced bionic units and the RH frame component, resulting in more severe plastic deformation at their intersections and more folding lobes formed on the cell walls. The study also demonstrates that smaller cell size in the bio-honeycombs improves material utilization efficiency.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Engineering, Manufacturing
Ningning Yan, Qiangang Fu, Running Wang, Jiaping Zhang, Ningkun Liu, Bo Li, Qingliang Shen, Jia Sun
Summary: The study indicates that the compressive strength of ZrC/C composites fluctuates with the increase in strain rate, and the electrical resistance increases; increasing the ZrC/PyC weight ratio can enhance the hardness and modulus of the composites.
COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING
(2022)
Article
Materials Science, Textiles
Chao Zhang, Ang Li, Yuefeng Gu, Chunjian Mao, Xiwu Xu
Summary: This paper presents a meso-scale finite element model containing void defects to investigate the off-axial tensile behavior of 3D braided composites. The effects of the braiding angle on non-axial tensile strength and failure mode are analyzed.
JOURNAL OF INDUSTRIAL TEXTILES
(2022)
Article
Materials Science, Multidisciplinary
Jing Long, Feng Xu, Yuanyuan Wu, Yousong Xue, Baozhong Sun, Bohong Gu, Wei Zhang
Summary: Ageing conditions and braided structures have an impact on the dynamic damage and failure mechanisms of 3D braided composites. This study investigates the influence of thermo-oxidative ageing on impact compression behaviors of 3D braided composites. The results show that ageing has a significant effect on the mechanical properties of both epoxy resins and composites. Interfacial debonding is the main degradation mechanism for the braided composites. Additionally, the 3D5d braided composites exhibit higher strength retaining level and better resistance to impact deformation compared to the 3D4d composites.
INTERNATIONAL JOURNAL OF DAMAGE MECHANICS
(2022)
Article
Mechanics
Shijia Xu, Shuai He, Jiayi Li, Beiyao Xiao, Wei Zhang
Summary: This study tested the quasi-static tension behavior of high-strength glass fiber four-Harness stain woven composite, Kevlar fiber plain woven composite, and their laminated hybrid composite. Representative volume element models were established based on mesoscopic cross-section photographs combined with voxel mesh. A progressive damage model was proposed to predict the damage initiation and evolution of the 2D woven composites, considering the crimping effect of plain-woven composites.
COMPOSITE STRUCTURES
(2023)
Article
Materials Science, Composites
S. Z. H. Shah, P. S. M. Megat-Yusoff, R. S. Choudhry, Zubair Sajid, Israr Ud Din
Summary: This paper investigates the quasi-static crush performance of newer resin-infused thermoplastic 3D fibre reinforced composites under axial loads, demonstrating improved energy absorption capabilities at a 45-degree trigger angle.
COMPOSITES COMMUNICATIONS
(2021)
Article
Engineering, Mechanical
Xiang -bin Du, Dian-sen Li, Lei Jiang, Dai-ning Fang
Summary: A parametric finite element (FE) model was developed for three-dimensional six-directional (3D6d) braided composites, considering the real cross-sectional shape of the yarn and its contact relationship. The FE model accurately predicts the mechanical properties and damage behavior of the composites. The braiding angle and fiber volume fraction have significant influences on the mechanical properties and damage mode of the composites.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Engineering, Manufacturing
Ling Chen, Joel Chong, Qian Jiang, Liwei Wu, Youhong Tang
Summary: A novel composite helical spring with a braided nested structure (BNCHS) is proposed in this study, which shows significantly improved static performance compared to steel.
COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING
(2024)
Article
Engineering, Mechanical
Subramani Anbazhagan, Periyasamy Manikandan, Gin B. Chai, Sunil C. Joshi
Summary: This study investigated the load response, energy absorption, different damage mechanisms, and failure modes of sandwich panels under quasi-static indentation. The results showed that the material type of the facesheet and the height of the honeycomb core can affect the performance of the panel.
JOURNAL OF SANDWICH STRUCTURES & MATERIALS
(2022)
Article
Mechanics
Fatih Metin, Ahmet Avci
Summary: Interleaving PSF nanofibers improves the strength and impact resistance of composite laminates, reducing fiber breakage area and increasing damage threshold load values. Experimental and FE simulation results showed good agreement in terms of force-time, force-deflection, and energy-time curves.
COMPOSITE STRUCTURES
(2021)
Article
Mechanics
Ying Zhao, Xiaogang Deng, Siqi Zheng, Xuanming Liu, Yueqiang Wang
Summary: A four-star double arrow honeycomb (FS-DAH) is proposed, and its in-plane large deflection equations along compression directions are constructed. Finite element model (FEM) and quasi-static compression simulation analysis are performed to verify the accuracy of theoretical predictions. The results are consistent with simulation analysis, and the errors of simulation and theoretical results are within allowable range compared with the experimental data.
COMPOSITE STRUCTURES
(2023)
Article
Mechanics
Xinyi Song, Di Zhang, Jin Zhou, Xuefeng Chen, Shenghao Zhang, Longteng Bai, Xiaohui Yang, Feiping Du, Zhongwei Guan, Xitao Zheng, Wesley J. Cantwell
Summary: A hierarchical multi-scale numerical model is developed to predict the effect of cross-sectional geometric properties on the mechanical response of 3D braided composites. Damage evolution is evaluated based on a continuous damage mechanics approach. The research offers a theoretical analysis for selecting the optimized fiber bundle geometry for FE predictions of 3D braided composites.
COMPOSITE STRUCTURES
(2023)
Article
Mathematics, Applied
Yuxiang Chen, Zhihao Ge
Summary: In this paper, a multiphysics finite element method is proposed for the quasi-static thermoporoelasticity model with small Peclet number. The method is proved to have existence, uniqueness, stability and optimal convergence order. Numerical examples are provided to verify the theoretical results.
JOURNAL OF SCIENTIFIC COMPUTING
(2022)
Article
Materials Science, Composites
Yiding Li, Shibo Yan, Ying Yan, Weijie Zhang
Summary: This study proposed a high-fidelity virtual braiding model that considers the fiber-level deformation of yarns to generate realistic mesostructure of tubular composites. The method accurately models the braiding process, including the deposition zone and convergence zone. The simulated braided preforms agree well with experimental results and can facilitate the performance analysis of braided composite structures.
POLYMER COMPOSITES
(2023)
Correction
Materials Science, Multidisciplinary
A. D. Boccardo, M. Tong, S. B. Leen, D. Tourret, J. Segurado
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tao Li, Qing Hou, Jie-chao Cui, Jia-hui Yang, Ben Xu, Min Li, Jun Wang, Bao-qin Fu
Summary: This study investigates the thermal and defect properties of AlN using molecular dynamics simulation, and proposes a new method for selecting interatomic potentials, developing a new model. The developed model demonstrates high computational accuracy, providing an important tool for modeling thermal transport and defect evolution in AlN-based devices.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Chuan Huang, Hsing-Yin Chen
Summary: Amorphous boron nitride (a-BN) is a promising ultralow-dielectric-constant material for interconnect isolation in integrated circuits. This study establishes a deep learning potential (DLP) for different forms of boron nitride and uses molecular dynamics simulations to investigate the mechanical behaviors of a-BN. The results reveal the structure-property relationships of a-BN, providing useful insights for integrating it in device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. Salman, S. Schmauder
Summary: Shape memory polymer foams (SMPFs) are lightweight cellular materials that can recover their undeformed shape through external stimulation. Reinforcing the material with nano-clay filler improves its physical properties. Multiscale modeling techniques can be used to study the thermomechanical response of SMPFs and show good agreement with experimental results.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Laura Gueci, Francesco Ferrante, Marco Bertini, Chiara Nania, Dario Duca
Summary: This study investigates the acidity of 30 Bronsted sites in the beta-zeolite framework and compares three computational methods. The results show a wide range of deprotonation energy values, and the proposed best method provides accurate calculations.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
K. A. Lopes Lima, L. A. Ribeiro Junior
Summary: Advancements in nanomaterial synthesis and characterization have led to the discovery of new carbon allotropes, including biphenylene network (BPN). The study finds that BPN lattices with a single-atom vacancy exhibit higher CO2 adsorption energies than pristine BPN. Unlike other 2D carbon allotropes, BPN does not exhibit precise CO2 sensing and selectivity by altering its band structure configuration.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Jay Kumar Sharma, Arpita Dhamija, Anand Pal, Jagdish Kumar
Summary: In this study, the quaternary Heusler alloys LiAEFeSb were investigated for their crystal structure, electronic properties, and magnetic behavior. Density functional theory calculations revealed that LiSrFeSb and LiBaFeSb exhibit half-metallic band structure and 100% spin polarization, making them excellent choices for spintronic applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Roman A. Eremin, Innokentiy S. Humonen, Alexey A. Kazakov, Vladimir D. Lazarev, Anatoly P. Pushkarev, Semen A. Budennyy
Summary: Computational modeling of disordered crystal structures is essential for studying composition-structure-property relations. In this work, the effects of Cd and Zn substitutions on the structural stability of CsPbI3 were investigated using DFT calculations and GNN models. The study achieved accurate energy predictions for structures with high substitution contents, and the impact of data subsampling on prediction quality was comprehensively studied. Transfer learning routines were also tested, providing new perspectives for data-driven research of disordered materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Zhixin Sun, Hang Dong, Yaohui Yin, Ai Wang, Zhen Fan, Guangyong Jin, Chao Xin
Summary: In this study, the crystal structure, electronic structure, and optical properties of KH2PO4: KDP crystals under different pressures were investigated using the generalized gradient approximate. It was found that high pressure caused a phase transition in KDP and greatly increased the band gap. The results suggest that high pressure enhances the compactness of KDP and improves the laser damage threshold.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tingting Yu
Summary: This study presents atomistic simulations revealing that an increase in driving force may result in slower grain boundary movement and switches in the mode of grain boundary shear coupling migration. Shear coupling behavior is found to effectively alleviate stress and holds potential for stress relaxation and microstructure manipulation in materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Zhang, X. Q. Deng, Q. Jing, Z. S. Zhang
Summary: The electronic properties of C2N/antimonene van der Waals heterostructure are investigated using density functional theory. The results show that by applying horizontal strain, vertical strain, electric field, and interlayer twist, the electronic structure can be adjusted. Additionally, the band alignment and energy states of the heterostructure can be significantly changed by applying vertical strain on the twisted structure. These findings are important for controlling the electronic properties of heterostructures.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Chad E. Junkermeier, Evan Larmand, Jean-Charles Morais, Jedediah Kobebel, Kat Lavarez, R. Martin Adra, Jirui Yang, Valeria Aparicio Diaz, Ricardo Paupitz, George Psofogiannakis
Summary: This study investigates the adsorption properties of carbon dioxide (CO2), methane (CH4), and dihydrogen (H2) in carbophenes functionalized with different groups. The results show that carbophenes can be promising adsorbents for these gases, with high adsorption energies and low desorption temperatures. The design and combination of functional groups can further enhance their adsorption performance.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Borges, L. Huber, H. Zapolsky, R. Patte, G. Demange
Summary: Grain boundary structure is closely related to solute atom segregation, and machine learning can predict the segregation energy density. The study provides a fresh perspective on the relationship between grain boundary structure and segregation properties.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. R. Jones, L. T. W. Fey, I. J. Beyerlein
Summary: In this work, a three-dimensional ab-initio informed phase-field-dislocation dynamics model combined with Langevin dynamics is used to investigate glide mechanisms of edge and screw dislocations in Nb at finite temperatures. It is found that the screw dislocation changes its mode of glide at two distinct temperatures, which coincides with the thermal insensitivity and athermal behavior of Nb yield strengths.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Joshua A. Vita, Dallas R. Trinkle
Summary: This study introduces a new machine learning model framework that combines the simplicity of spline-based potentials with the flexibility of neural network architectures. The simplified version of the neural network potential can efficiently describe complex datasets and explore the boundary between classical and machine learning models. Using spline filters for encoding atomic environments results in interpretable embedding layers that can incorporate expected physical behaviors and improve interpretability through neural network modifications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)