Article
Materials Science, Multidisciplinary
Wei-Zhi Huang, Bo Li, Xi-Qiao Feng
Summary: This study establishes a micromechanical method to theoretically predict the effective surface elastic moduli of solid materials covered with surface microstructures. This is important for analyzing the mechanical properties of miniature devices and structures and for designing advanced functional materials.
MECHANICS OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Zhengyang Zhang, Hanxing Zhu, Ru Yuan, Sanmin Wang, Tongxiang Fan, Yacine Rezgui, Di Zhang
Summary: This paper investigates the elastic properties of IPCs reinforced by different types of regular lattice fiber networks and finds that the Young's modulus of IPCs is larger when the constituent materials have a larger difference in Poisson's ratios and a smaller difference in Young's moduli. It also demonstrates that structural hierarchy can enhance the stiffness of IPCs by 30%. Additionally, these IPCs exhibit almost isotropic Young's modulus, different Poisson's ratios, and are easy to manufacture with high Young's moduli.
MATERIALS & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Xinwei Li, Minseo Kim, Wei Zhai
Summary: Interpenetrating phase composites (IPC) based on additively manufactured alumina microlattices and infiltrated epoxy are lightweight, strong, and tough, demonstrating high specific strength and energy absorption. Experimental and simulation studies show improved fracture toughness and progressive material failure contribute to the enhanced strength and lengthened stress plateau. The potential of using strong ceramic and epoxy materials for high-performance engineering applications is highlighted.
MATERIALS & DESIGN
(2022)
Article
Multidisciplinary Sciences
Jens Bauer, Marti Sala-Casanovas, Mahsa Amiri, Lorenzo Valdevit
Summary: This study expands the concept of nanoarchitecture to dense metal/ceramic composites, presenting co-continuous architectures of three-dimensional printed pyrolytic carbon shell reinforcements and electrodeposited nickel matrices, demonstrating ductile compressive deformability with elongated ultrahigh strength plateaus, resulting in an extremely high combination of compressive strength and strain energy absorption.
Article
Materials Science, Composites
Lucas L. Vignoli, Marcelo A. Savi, Pedro M. C. L. Pacheco, Alexander L. Kalamkarov
Summary: This paper proposes a novel model to estimate the effective elastic properties of unidirectional composites with circular cross section fibers. The model is verified using finite element method and experimental data, and compared with other analytical models. The results demonstrate that the proposed model provides the best estimations for the elastic properties.
APPLIED COMPOSITE MATERIALS
(2022)
Article
Mechanics
Meghdad Gholami, Hamed Afrasiab, Ali Mohammad Baghestani, Alireza Fathi
Summary: This paper investigates the effect of hygrothermal conditions on the elastic properties of polymeric composite materials using the finite element method. A micromechanical degradation model is developed and verified against experimental data, utilizing ABAQUS python scripting micro modeling and parallel finite element analysis algorithms.
COMPOSITE STRUCTURES
(2021)
Article
Mechanics
Y. P. Jiang, J. Wu, Y. Zhu
Summary: This study investigates the effective elastic modulus of composites with network microstructures using micromechanics methods and develops a mesoscopic model based on their network morphology. The predictions from the model show good agreement with previous experimental results. The analysis of parameters such as particle size, volume fraction, and distribution on composite stiffness is conducted, and the reinforcing mechanism of network morphology is investigated using the finite-element method.
MECHANICS OF COMPOSITE MATERIALS
(2021)
Article
Chemistry, Physical
Phani Prasanthi, Sivaji Babu Kondapalli, Niranjan Kumar Sita Rama Morampudi, Venkata Venu Madhav Vallabhaneni, Kuldeep Kumar Saxena, Kahtan Adnan Mohammed, Emanoil Linul, Chander Prakash, Dharam Buddhi
Summary: A two-stage micromechanics technique was used to predict the elastic modulus and Poisson's ratio of unidirectional natural fiber reinforced composites. The study emphasized the importance of considering the real microstructure of natural fibers in the design of composites, particularly at higher volume fractions. The results showed the significance of hierarchical structures of fibers in determining the elastic properties of the composite materials.
Article
Engineering, Multidisciplinary
Sabarinathan P. Subramaniyan, Muhammad A. Imam, Pavana Prabhakar
Summary: This paper elucidates the impact of fiber packing and morphology on moisture diffusion in FRPC materials, and establishes a relationship between tortuosity and diffusivity. By studying the influence of impermeable fiber architectures on moisture diffusion pathways, the authors provide insight into calculating diffusivity using tortuosity for a given micro-architecture.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Nanoscience & Nanotechnology
Meng Cao, Xiao Jian Yan, Lei Li, Shu Ya Wu, Xiang Ming Chen
Summary: This study demonstrates a strategy to obtain high dielectric constant (εr) BaTiO3 ceramics with improved connectivity and high porosity, leading to the preparation of composites with enhanced εr at low ceramic volume fraction. These composites show low dielectric loss, good frequency and temperature stability, and great potential for practical applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Nanoscience & Nanotechnology
Meng Cao, Xiao Jian Yan, Lei Li, Shu Ya Wu, Xiang Ming Chen
Summary: This study demonstrates a strategy to overcome the challenge of obtaining a high dielectric constant in ceramic-polymer composites with low ceramic volume fraction. By using a high sintering temperature and introducing a porogen, the researchers were able to obtain BaTiO3 ceramics with high porosity and great connectivity. The composites prepared with these ceramics showed improved dielectric constants at low ceramic volume fractions. The composite with a sintering temperature of 1300 degrees C and a ceramic volume fraction of 38.1% exhibited a dielectric constant of 466.8, which was about nine times higher compared to the counterpart with a higher ceramic volume fraction of 60.8%. The composite also exhibited low dielectric loss and good frequency and temperature stability, indicating its potential for practical applications. Finite element simulation showed that the enhanced connectivity of BaTiO3 played a key role in the dielectric response of the composite.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Composites
Weijie Zhang, Shibo Yan, Ying Yan, Yiding Li
Summary: A parameterized unit cell model for 3D braided composites considering transverse braiding angle variation is proposed in this paper, enabling flexible control of fiber volume fraction distribution and suggesting appropriate parameters based on actual fiber distribution needs. The model is validated against experiments, showing good agreement in terms of fiber volume fraction and elastic constants. The effects of main braiding parameters on the elastic properties of 3D braided composites are discussed using the parameterized unit cell model.
JOURNAL OF COMPOSITE MATERIALS
(2022)
Article
Materials Science, Ceramics
Lei Cheng, Xiao-pan Liu, Peng-zhao Gao, Zheng Yuan, Wen-Ming Guo, Han-ning Xiao
Summary: The study investigated the temperature and composition dependence of the thermal conductivity of MoSi2-RSiC composites with a special 3D interpenetrating network structure, establishing a microstructure-based model and developing a novel simplified model for predicting effective thermal conductivity. Finite element simulation accurately predicted thermal conductivity and Landauer's effective medium percolation theory was used to verify numerical values and analytical results.
CERAMICS INTERNATIONAL
(2021)
Article
Mechanics
V. N. Mishra, S. K. Sarangi
Summary: This study investigates the effective damping characteristics of a polymer-based unidirectional fiber-reinforced composite. By using a continuum micromechanical formulation and the strain energy method, the effective damping parameters of the composite are determined. The results show a good agreement between the calculated damping properties using the model and the experimental data.
MECHANICS OF COMPOSITE MATERIALS
(2023)
Article
Materials Science, Ceramics
Khaled H. Khafagy, Christopher Sorini, Travis Skinner, Aditi Chattopadhyay
Summary: In this study, a three-dimensional viscoplasticity formulation with progressive damage is developed to investigate the time-dependent constituent load transfer and damage behavior in ceramic matrix composites subjected to creep. The formulation, based on Hill's orthotropic plastic potential and the Norton-Bailey creep power law, is used to simulate creep behavior in single fiber SiC/SiC microcomposites. Results show excellent agreement with experimental and numerical data.
CERAMICS INTERNATIONAL
(2021)
Article
Nanoscience & Nanotechnology
Justyna Maj, Michal Basista, Witold Weglewski, Kamil Bochenek, Agata Strojny-Nedza, Krzysztof Naplocha, Tobias Panzner, Monika Tatarkova, Fabrizio Fiori
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2018)
Article
Nanoscience & Nanotechnology
Kamil Bochenek, Witold Weglewski, Jerzy Morgiel, Michal Basista
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2018)
Article
Physics, Applied
Marcin Krajewski, Witold Weglewski, Kamil Bochenek, Andrzej Wysmolek, Michal Basista
JOURNAL OF APPLIED PHYSICS
(2019)
Article
Nanoscience & Nanotechnology
Witold Weglewski, Marcin Krajewski, Kamil Bochenek, Piotr Denis, Andrzej Wysmolek, Michal Basista
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2019)
Article
Materials Science, Multidisciplinary
Witold Weglewski, Pandi Pitchai, Kamil Bochenek, Gabriella Bolzon, Ruth Konetschnik, Bernhard Sartory, Reinhold Ebner, Daniel Kiener, Michal Basista
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2020)
Article
Nanoscience & Nanotechnology
Kamil Bochenek, Witold Weglewski, Jerzy Morgiel, Michal Maj, Michal Basista
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2020)
Article
Materials Science, Multidisciplinary
Justyna Maj, Witold Weglewski, Kamil Bochenek, Lukasz Rogal, Stefania Wozniacka, Michal Basista
Summary: The study compared the properties of AlSi12/Al2O3 composites fabricated using squeeze casting and powder metallurgy techniques, finding that the squeeze cast composite exhibited superior properties.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2021)
Article
Materials Science, Coatings & Films
Agnieszka Witecka, Svenja Valet, Michal Basista, Aldo Roberto Boccaccini
Summary: Composite coatings based on chitosan and bioactive glass particles fabricated by electrophoretic deposition on pre-treated magnesium alloys show promising potential in bone regeneration applications by suppressing substrate corrosion and promoting cell response.
SURFACE & COATINGS TECHNOLOGY
(2021)
Article
Thermodynamics
Witold Weglewski, Pandi Pitchai, Marcin Chmielewski, P. J. Guruprasad, Michal Basista
Summary: This study investigates the thermal conductivity of copper-matrix composites reinforced with silicon carbide particles coated with different metallic layers using experimental and computational micromechanics approaches. The results highlight the importance of considering the effect of imperfect interfaces for accurately modeling the thermal conductivity of the composites.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Materials Science, Coatings & Films
Kamil Bochenek, Witold Weglewski, Agata Strojny-Nedza, Katarzyna Pietrzak, Tomasz Chmielewski, Marcin Chmielewski, Michal Basista
Summary: Metallic coatings are widely used on steel tubes in power generation boilers to improve performance and extend lifespan. This study compared three processing techniques for depositing NiCr-Re and NiCr-Re-Al2O3 composite coatings on a 16Mo3 steel substrate. The results showed that HVOF thermal spraying was the optimal choice, with NiCr+1%Re exhibiting the best performance.
JOURNAL OF THERMAL SPRAY TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Hossein Darban, Raimondo Luciano, Michal Basista
Summary: This study utilizes experimental results from the literature to calibrate the length scale parameter of the stress-driven nonlocal elasticity model, and successfully captures the size-dependent experimental results by fitting the load-displacement curves and natural frequencies.
MECHANICS OF ADVANCED MATERIALS AND STRUCTURES
(2023)
Article
Materials Science, Multidisciplinary
Hossein Darban, Kamil Bochenek, Witold Weglewski, Michal Basista
Summary: A novel approach using fractography analysis to determine the length-scale parameter for phase-field modeling of macroscale fracture in metal-ceramic composites is proposed. The process zone size is measured and used as the length-scale parameter in the modeling. Experimental results show that the model accurately predicts fracture toughness and loads, and agrees with the experimental and criterion results.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2022)
Article
Engineering, Multidisciplinary
Hossein Darban, Raimondo Luciano, Michal Basista
Summary: In this study, a nonlocal model is proposed to investigate the size-dependent free transverse vibrations of nanobeams with cracks. The model takes into account the effect of cracks by introducing discontinuities in slope and transverse displacement at the cracked cross-section. The results show that the crack location, crack length, and nonlocality have an impact on the natural frequencies of the nanobeams, and the cracks can cause amplification and shielding effects on the natural frequencies.
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
(2022)
Article
Mechanics
Hossein Darban, Raimondo Luciano, Andrea Caporale, Michal Basista
Summary: This paper formulates a novel buckling model for nanobeams resting on the Pasternak elastic foundation based on the local-nonlocal stress-driven gradient elasticity theory. The model accurately predicts the buckling loads and mode shapes of the nanobeams, and captures both stiffening and softening behaviors at small scales.
COMPOSITE STRUCTURES
(2022)
Correction
Materials Science, Multidisciplinary
Justyna Maj, Witold Weglewski, Kamil Bochenek, Lukasz Rogal, Stefania Wozniacka, Michal Basista
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2021)
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)
