Article
Chemistry, Physical
Farrukh Mustahsan, Sohaib Z. Khan, Asad A. Zaidi, Yaser H. Alahmadi, Essam R. Mahmoud, Hamad Almohamadi
Summary: This paper presents a modified re-entrant honeycomb auxetic structure and verifies its performance through analytical modeling, finite element analysis, and tensile testing. The results show that the newly added strut has a significant effect on the directional properties of the structure, and the structure exhibits high Young's modulus and negative Poisson's ratio in both loading directions, especially at low relative density.
Article
Physics, Condensed Matter
Sai Bao, Xin Ren, Yu Jun Qi, Hao Ran Li, Dong Han, Wei Li, Chen Luo, Zhong Zheng Song
Summary: This paper investigates a modified auxetic re-entrant honeycomb structure that enhances the energy absorption capacity by adding curved ribs to the conventional re-entrant honeycomb structure. The in-plane quasi-static compression response of the structure under large deformation is explored numerically, and the validity of the numerical simulation is verified through quasi-static compression tests. The results from both experiments and simulations show the occurrence of two plateau stresses in the load-displacement curves of the structure during the quasi-static compression process, with the second plateau stress being significantly higher than the first one. The occurrence time of the second plateau stress can be controlled by adjusting the distance between the concave curved ribs in the structure. The findings suggest that the modified auxetic re-entrant honeycomb structures have great potential for various applications in civil engineering, vehicle crashworthiness, and protective infrastructure.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2022)
Article
Engineering, Aerospace
Yu Chen, Zhi-Wei Wang
Summary: This study proposed an improved hexagonal honeycomb structure by replacing the solid junction with a small hollow circle, resulting in a novel honeycomb. Theoretical models based on energy approach were developed to predict the elastic properties of the new honeycomb, and finite element analysis was used to verify the models and investigate the effects of micro geometrical parameters. The results showed that the new honeycomb exhibited a negative Poisson's ratio effect, higher specific Young's modulus and shear modulus compared to the common hexagonal honeycomb. It also demonstrated a more tailored anisotropy. Therefore, the new honeycomb could be an effective substitute for the common hexagonal honeycomb and provide guidance for improved design of auxetic honeycombs.
AEROSPACE SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Yang Zhou, Yi Pan, Lin Chen, Qiang Gao, Beibei Sun
Summary: A novel auxetic honeycomb structure named re-entrant combined-wall (RCW) honeycomb is developed in this study by introducing hierarchical substructures to enhance its performance. Experimental results show that the RCW honeycomb exhibits high orthogonality, tunability, and increased crushing strength under large deformation.
MATERIALS RESEARCH EXPRESS
(2022)
Article
Engineering, Civil
Feng Jiang, Shu Yang, Chang Qi, Hai-Tao Liu
Summary: In this study, the two plateau characteristics of re-entrant honeycomb (REH) with negative Poisson's ratio (NPR) in the concave direction were investigated through experimental, numerical, and theoretical methods. The results showed that due to the transitional rectangle structures formed during crushing, the REH specimens exhibited a two-step deformation mode and two plateau stresses in the stress-strain curves. Both numerical and theoretical predictions agreed well with the experimental results. Parameter analysis indicated that different geometric parameters influenced the plateau stresses, and the crushing velocity also affected the characteristics of the honeycomb structure.
THIN-WALLED STRUCTURES
(2022)
Article
Materials Science, Multidisciplinary
Zijian Zhang, Li'ao Zhang, Yangyang Dong, Heng Chen, Yipan Guo
Summary: A cosine-shaped re-entrant structure negative Poisson's ratio metamaterial is proposed to address the issues of stress concentration and negative Poisson's ratio. Different configurations of improved re-entrant structural elements are designed by optimizing the inclined beams. Experimental results show that the improved structure can significantly reduce stress and increase the negative Poisson's ratio.
Article
Engineering, Mechanical
Lumin Shen, Zhonggang Wang, Xinxin Wang, Kai Wei
Summary: The mechanical properties of a vertex-based hierarchical re-entrant honeycomb structure were investigated in this study. The overlapping effect of struts on relative density was considered, the theoretical model for evaluating Young's modulus and Poisson's ratio was implemented, and the elastic properties of the structure can be designed by adjusting geometric parameters. Comparisons between different honeycomb structures suggest that embedding a re-entrant honeycomb at the vertex is an effective way to enhance elastic modulus while maintaining a negative Poisson's ratio.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2021)
Article
Materials Science, Multidisciplinary
V Harinarayana, Y. C. Shin
Summary: In this study, a comprehensive design and fabrication of a three-dimensional axisymmetric auxetic structure that exhibits uniform and axisymmetric transverse deformation under longitudinal compression loading is proposed. The design of the metamaterial is generated by revolving a two-dimensional parabolic curve along the axis of rotation and subsequently perforating the structure periodically with elliptical voids. The significance of the perforations is elucidated by comparing the metamaterial structure to a plain structure.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Engineering, Mechanical
Xing Chi Teng, Xin Ren, Yi Zhang, Wei Jiang, Yang Pan, Xue Gang Zhang, Xiang Yu Zhang, Yi Min Xie
Summary: A simple 3D re-entrant unit cell is designed in this study, and the influence of geometric parameters on the performance of the structure is investigated numerically. Experimental results show that the proposed 3D re-entrant auxetic metamaterial exhibits stable compression deformation and desirable energy absorption behavior, which can be utilized for designing protective structures.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Engineering, Aerospace
Sicong Zhou, Hua Liu, Jingxuan Ma, Xianfeng Yang, Jialing Yang
Summary: This study proposes a novel 3D hollow re-entrant auxetic (HRA) lattice metamaterial to enhance energy absorption capacity. The mechanical properties and energy absorption behaviors of the HRA lattice are investigated using an analytical model and finite element method. Compared with the solid re-entrant auxetic (SRA) lattice, the HRA lattice shows an improved specific energy absorption of up to 27.43%. The design parameters of the HRA lattice can be tuned to meet different energy absorption demands.
AEROSPACE SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Jinming Lian, Zhenqing Wang
Summary: This study investigates the crushing behavior of a new honeycomb structure and discusses the effects of different gradient parameters on deformation mode and extrusion response. The results show that the influence of these parameters varies for in-plane and out-of-plane crushing of the honeycomb.
Article
Engineering, Civil
Lian-Zheng Pei, Chang Qi, Shu Yang, Yuan-Hang Ma, Peng-Cheng Wu
Summary: Due to the negative Poisson's ratio effect, auxetic structures like re-entrant honeycombs exhibit excellent energy absorption and force mitigation capabilities under crushing load. This study proposes a hierarchical fabrication method for metallic 3D re-entrant honeycomb and verifies its performance through experiments and numerical simulations. The results demonstrate its advantages in energy absorption, lightweight performance, and blast resistance.
THIN-WALLED STRUCTURES
(2022)
Article
Engineering, Civil
Sheng Yu, Zhikang Liu, Xiaoming Cao, Jiayi Liu, Wei Huang, Yangwei Wang
Summary: This paper investigates the compressive performance and failure behavior of composite auxetic re-entrant honeycomb sandwich structure. Different gradient configurations of auxetic re-entrant honeycomb structures were manufactured and tested. The compressive responses and deformation mechanisms were analyzed based on stress-strain curves and deformation processes. The Poisson's ratio, energy efficiency, and plateau stress were defined and used to study the auxetic performance and energy absorption ability. A high-fidelity numerical model was established to analyze the compressive performances and failure behaviors, and the results agreed well with experimental results.
THIN-WALLED STRUCTURES
(2023)
Article
Engineering, Aerospace
Chang Qi, Feng Jiang, Shu Yang, Alex Remennikov, Shang Chen, Chen Ding
Summary: This study investigates the in-plane dynamic crushing responses of a novel auxetic honeycomb structure called the REC honeycomb. The study reveals that the REC honeycomb shows excellent energy absorption and penetration resistance, outperforming its RE counterpart.
AEROSPACE SCIENCE AND TECHNOLOGY
(2022)
Article
Engineering, Electrical & Electronic
Pengju Li, Xilin Zhang, Zhengkai Zhang, Qingguo Wen
Summary: A new force measurement method based on the auxetic structure is proposed in this paper, using a light source, auxetic structure, and solar cell. The method avoids contact between components, and experimental results show improved sensitivity and linearity over traditional methods.
IEEE SENSORS JOURNAL
(2021)
Article
Materials Science, Multidisciplinary
S. Mudry, I. Shtablavyi, U. Liudkevych, S. Winczewski
MATERIALS SCIENCE-POLAND
(2015)
Article
Materials Science, Multidisciplinary
Jacek Dziedzic, Szymon Winczewski, Jaroslaw Rybicki
COMPUTATIONAL MATERIALS SCIENCE
(2016)
Article
Computer Science, Interdisciplinary Applications
Szymon Winczewski, Jacek Dziedzic, Jaroslaw Rybicki
COMPUTER PHYSICS COMMUNICATIONS
(2016)
Article
Materials Science, Multidisciplinary
S. Winczewski, J. Dziedzic, J. Rybicki
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2016)
Article
Chemistry, Physical
Szymon Winczewski, Mohamad Yousef Shaheen, Jaroslaw Rybicki
Article
Chemistry, Multidisciplinary
Joseph N. Grima, Szymon Winczewski, Luke Mizzi, Michael C. Grech, Reuben Cauchi, Ruben Gatt, Daphne Attard, Krzysztof W. Wojciechowski, Jaroslaw Rybicki
ADVANCED MATERIALS
(2015)
Article
Biophysics
Anna Neumann, Maciej Baginski, Szymon Winczewski, Jacek Czub
BIOPHYSICAL JOURNAL
(2013)
Article
Chemistry, Physical
Szymon Winczewski, Jaroslaw Rybicki
Article
Materials Science, Multidisciplinary
Szymon Winczewski, Jacek Dziedzic, Jaroslaw Rybicki
COMPUTATIONAL MATERIALS SCIENCE
(2019)
Article
Materials Science, Multidisciplinary
V Plechystyy, I Shtablavyi, S. Winczewski, K. Rybacki, S. Mudry, J. Rybicki
MATERIALS RESEARCH EXPRESS
(2020)
Article
Materials Science, Multidisciplinary
V. Plechystyy, I. Shtablavyi, S. Winczewski, K. Rybacki, S. Mudry, J. Rybicki
PHILOSOPHICAL MAGAZINE
(2020)
Article
Chemistry, Physical
V. Plechystyy, I. Shtablavyi, S. Winczewski, K. Rybacki, B. Tsizh, S. Mudry, J. Rybicki
Summary: This study focused on the diffusion process at the interface between copper films and silicon substrate through molecular dynamics simulation. The concentration variation of copper and silicon at the interface, melting point determination, and comparison of atomic structures were conducted. The potential formation of nucleation centers with compound structure in the liquid state was revealed, expanding knowledge about atomic diffusion at the metal-semiconductor interface.
MOLECULAR SIMULATION
(2021)
Proceedings Paper
Computer Science, Theory & Methods
Marcin Plociennik, Szymon Winczewski, Pawel Ciecielag, Frederic Imbeaux, Bernard Guillerminet, Philippe Huynh, Michal Owsiak, Piotr Spyra, Thierry Aniel, Bartek Palak, Tomasz Zok, Wojciech Pych, Jaroslaw Rybicki
2014 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
(2014)
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)