Article
Engineering, Multidisciplinary
Chunlin Wu, Huiming Yin
Summary: This paper introduces a method for calculating the elastic fields and effective modulus of a composite containing particles, using the equivalent inclusion method to simulate the material mismatch between particles and matrix. The iBEM enables virtual experiments and exhibits potential for studying microstructure-dependent material behavior.
ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS
(2021)
Article
Mechanics
Pan Wang, Baolin Wang, Kaifa Wang, Li Xi
Summary: This paper presents an effective medium model for evaluating the effective behaviors of anisotropic TE composites containing multiple inclusions. Specific inclusions are found to greatly boost the TE figure of merit of the composite, and the cooling performance of a thermoelectric cooler module can be enhanced up to 22.79% by inserting voids. These findings provide valuable insights into the performance evaluation of TE composites and offer potential ways to improve the performance of TE devices.
COMPOSITE STRUCTURES
(2021)
Article
Mechanics
Chunlin Wu, Huiming Yin
Summary: This paper introduces the method of deriving the Eshelby tensor of a polygonal inclusion with a polynomial eigenstrain, providing an elastic solution through Taylor series approximation. The results were validated through analytical integrals and numerical case studies. Higher order terms of eigenstrain are found to be important for the problem of polygonal inclusions.
JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME
(2021)
Article
Mechanics
Chunlin Wu, Liangliang Zhang, Huiming Yin
Summary: This paper extends the recent research on Eshelby's tensors for polynomial eigenstrains from 2D to 3D domains, providing a method to solve the elastic field of polyhedral inclusions. The polynomial eigenstrain expanded at the centroid offers tailorable accuracy for the elastic solutions of polyhedral inhomogeneities. Parametric analysis shows the performance difference between polynomial eigenstrains and C-0 continuous eigenstrains.
JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME
(2021)
Article
Mechanics
Chunfang Meng, Michael Fehler, Bradford Hager
Summary: In this study, the Eshelby's equivalent inclusion method was extended to incorporate volumes occupied by fluids of limited compressibility. The new method decomposes the problem into stress free transformation and volume compatibility problems, allowing for accurate and efficient modeling of interacting and fluid-solid mixed inclusions. The method was verified against the finite element method and showed promising results.
COMPOSITE STRUCTURES
(2021)
Article
Materials Science, Multidisciplinary
Akio Ishii
Summary: In this study, we energetically predicted the morphology of Zr hydride precipitates in a hexagonal close-packed Zr matrix using elasticity theory. We compared different shapes of ellipsoidal inclusions and successfully predicted the stable shapes and orientations of the precipitates, which were qualitatively consistent with experimental observations.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Akio Ishii
Summary: In this study, we predicted the temperature-dependent stability of the heterogeneous B19' phase in the B2 matrix of TiNi alloys using DFT and phonon analysis. The eigenstrains and elastic constants of Eshelby's ellipsoidal inclusion were calculated under a quasi-harmonic approximation. The orientation and total strains of the disk-shaped B19' phase in the B2 matrix were evaluated with respect to temperature using Eshelby's ellipsoidal inclusion analysis. By comparing the temperature-dependent free energies of the B2 and elastically deformed B19' structures, the transformation between the two phases was successfully predicted to occur at 300 K, in agreement with experiments. The temperature-dependent difference in elastic constants between the B19' phase and B2 matrix was shown to influence the phase transformation, which is the origin of the shape-memory effect of TiNi alloy.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Ping Yang, Xu Wang, Peter Schiavone
Summary: An analytical solution for the Eshelby's problem of a parabolic inclusion with uniform in-plane and anti-plane eigenstrains in an anisotropic elastic plane is derived. It is found that the stresses, total strains, and rigid-body rotation inside the parabolic inclusion are uniform. Real-form expressions of these internal uniform physical quantities in terms of the reduced elastic compliances and imposed eigenstrains are obtained. The constant Eshelby's tensor inside the parabolic inclusion can be completely determined by the reduced elastic compliances.
MECHANICS OF MATERIALS
(2021)
Article
Mechanics
Yang Wu, Mingkun Jia, Xiaofan Gou, Wenxiang Xu
Summary: In this study, a three-step method is proposed to derive the average Eshelby tensor of an arbitrarily shaped inclusion in an elastic field. The method is user-friendly and avoids the singularity that arises from solving complicated integrals. The reliability of the method is verified through comparisons with existing data, and it is also incorporated into a micromechanical model to predict the effective elastic moduli of two-phase composites.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2023)
Article
Mathematics, Applied
Mawafag F. Alhasadi, Salvatore Federico
Summary: In this contribution, a multiplicative decomposition of the deformation gradient is proposed, inspired by Eshelby's investigation on inclusions. This decomposition includes other proposed decompositions for Eshelby's inclusion problem as special cases, with its linearization coinciding with Eshelby's original additive decomposition of infinitesimal strain.
ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND PHYSIK
(2021)
Article
Engineering, Multidisciplinary
Aymen Danoun, Etienne Pruliere, Yves Chemisky
Summary: This article investigates the capabilities of hybrid models in predicting the effective properties of heterogeneous materials. The developed ANN-phi model combines artificial neural networks and micromechanical modeling, showing excellent predictive capabilities once trained on an Eshelby's tensors database. The results indicate that the hybrid model can significantly reduce computational time while maintaining accuracy and reliability.
INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
Chunlin Wu, Huiming Yin
Summary: The inclusion-based boundary element method (iBEM) is developed to calculate the elastic fields of a bi-layered composite with inhomogeneities in one layer. The method utilizes the bi-material Green's function and Eshelby's equivalent inclusion method (EIM) to simulate material mismatch and calculate local fields. The stability and fracture resistance of delamination can be predicted using the crack's energy release rate ( J) obtained through the J-integral. The method has been applied to analyze a dual-glass solar module with air bubbles, showing its effectiveness in predicting the delamination process.
INTERNATIONAL JOURNAL OF DAMAGE MECHANICS
(2023)
Article
Engineering, Mechanical
Jiong Zhang, Yunhai Huang, Weidong Liu, Liankun Wang, Chao Yang, Lin Zuo
Summary: This paper presents a micromechanical method to analyze the thermal stresses in a finite plane containing multiple elliptical inclusions. By utilizing Eshelby's equivalent inclusion method and distributed dislocation method, the thermal stresses of the plane are obtained and the effects of material constants, geometric parameters, and fiber packing arrangement are studied.
JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY
(2021)
Article
Engineering, Multidisciplinary
Shuang Wang, Hai-Bing Yang, Ming Dai
Summary: This study explores the possibility of designing an inclusion enclosing uniform internal stress in an elastic infinite plane under anti-plane shear deformation for non-uniform remote loading with arbitrary gradients. The shape of the inclusion has a significant impact on the uniformity of internal stress, especially under the influence of non-uniform remote loading.
APPLIED MATHEMATICAL MODELLING
(2022)
Article
Engineering, Multidisciplinary
Jeng-Tzong Chen, Jeng-Hong Kao, Shing-Kai Kao, Yi-Ling Huang, Yen-Ting Chou
Summary: This paper focuses on the J-integral of slant crack and slant rigid line inclusion under remote anti-plane shear, demonstrating path independence and transformation properties with respect to different observer systems. The study analytically and numerically derives positive and negative J-integrals, showing that J-integral is a component of a first order tensor rather than an invariant under different observer systems. The tensor property of order one is examined in this research.
ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS
(2021)
Article
Materials Science, Multidisciplinary
Viwanou Hounkpati, Sylvain Freour, David Gloaguen, Vincent Legrand, Joe Kelleher, Winfried Kockelmann, Saurabh Kabra
Article
Thermodynamics
Napo Bonfoh, Cynthia Dreistadt, Hafid Sabar
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2017)
Article
Mechanics
Florence Dinzart, Antoine Jeancolas, Napo Bonfoh, Hafid Sabar, Marius Mihaluta
ARCHIVE OF APPLIED MECHANICS
(2018)
Article
Mechanics
Napo Bonfoh, Antoine Jeancolas, Florence Dinzart, Hafid Sabar, Marius Mihaluta
COMPOSITE STRUCTURES
(2018)
Article
Thermodynamics
Napo Bonfoh, Hafid Sabar
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2018)
Article
Physics, Condensed Matter
Ranim Mohamad, Antoine Bere, Viwanou Hounkpati, Piero Gamarra, Jun Chen, Pierre Ruterana
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2018)
Article
Mechanics
G. Kinvi-Dossou, R. Matadi Boumbimba, N. Bonfoh, S. Garzon-Hernandez, D. Garcia-Gonzalez, P. Gerard, A. Arias
COMPOSITE STRUCTURES
(2019)
Article
Physics, Applied
Ranim Mohamad, Marie Pierre Chauvat, Slawomir Kret, Piero Gamarra, Sylvain Delage, Viwanou Hounkpati, Cedric Lacam, Jun Chen, Pierre Ruterana
JOURNAL OF APPLIED PHYSICS
(2019)
Article
Materials Science, Multidisciplinary
Prakash Parajuli, David Romeu, Viwanou Hounkpati, Ruben Mendoza-Cruz, Jun Chen, Miguel Jose Yacaman, Jacob Flowers, Arturo Ponce
Article
Engineering, Multidisciplinary
Napo Bonfoh, Hafid Sabar
Summary: A new micromechanical approach based on the strain gradient elasticity theory is developed to predict the effective properties of composite materials by dealing with the problem of Eshelby's inhomogeneity. The method uses the Green's function technique to obtain an integral equation for the heterogeneous elastic problem. By utilizing this integral equation, the exact solution for Eshelby's inhomogeneity problem with spherical inhomogeneity and isotropic elastic behavior is determined. The effective elastic properties of a two-phase composite material are then predicted using Mori Tanaka's homogenization scheme through the expression of strain localization relations. The suggested approach is tested against reference models and experimental data to assess its relevance.
APPLIED MATHEMATICAL MODELLING
(2023)
Proceedings Paper
Thermodynamics
A. Atintoh, W. Kpobie, N. Bonfoh, M. Fendler, P. Lipinski
Summary: The study characterizes the anisotropic mechanical behavior of Printed Circuit Board (PCB) through a combination of experiments and numerical simulations. By conducting mechanical tests and using a multiscale homogenization approach, unknown elastic properties of the PCB were estimated. The Mechanics of Structure Genome (MSG) methodology allowed for the simultaneous estimation of all independent components of the tensor of elastic constants with low CPU time.
2021 22ND INTERNATIONAL CONFERENCE ON THERMAL, MECHANICAL AND MULTI-PHYSICS SIMULATION AND EXPERIMENTS IN MICROELECTRONICS AND MICROSYSTEMS (EUROSIME)
(2021)
Proceedings Paper
Computer Science, Theory & Methods
Napo Bonfoh, Rodrigue Matadi Boumbimba, Gbessiho Kinvi-Dossou, Mamadou Coulibaly
DATA-DRIVEN MODELING FOR SUSTAINABLE ENGINEERING, ICEASSM 2017
(2020)
Article
Mechanics
G. Kinvi-Dossou, N. Bonfoh, R. Matadi Boumbimba, Y. Koutsawa, F. Lachaud, A. Nyoungue, P. Gerard
COMPOSITE STRUCTURES
(2020)
Article
Engineering, Multidisciplinary
Napo Bonfoh, Florence Dinzart, Hafid Sabar
APPLIED MATHEMATICAL MODELLING
(2020)
Article
Mechanics
R. Matadi Boumbimba, M. Coulibaly, A. Khabouchi, G. Kinvi-Dossou, N. Bonfoh, P. Gerard
COMPOSITE STRUCTURES
(2017)
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)
