Hosam O. Elansary¹, Naveed A. Noor², Syed M. Ahmad³, Humza Riaz³, Sohail Mumtaz^4,*

Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076592 - 26 January 2026

Abstract Ferrites are remarkable compounds for energy harvesting and spintronic applications. For this purpose, mechanically stable, thermodynamic, photo-catalytic, and ferromagnetic characteristics of ferrites Al₂Mn(S/Se)₄ have been investigated significantly using PBEsol-GGA and modified Becke Johnson potential (TB-mBJ). In order to determine structural stability, we calculate formation energy (E_f) and Born stability criteria that confirm the structural stability of the Al₂Mn(S/Se)₄. 2D and 3D plots of Poisson’s ratio (υ) and linear compressibility are also used to indicate the stability of these materials. Additionally, thermodynamic characteristics reveal that both ferrites are stable. Spin-polarized electronic properties indicate that both ferrites are ferromagnetic More >

G. Hao^a,*, H. J. Hou^a, S. R. Zhang^b, L. H. Xie^c

Chalcogenide Letters, Vol.21, No.1, pp. 39-51, 2024, DOI:10.15251/CL.2024.211.39

Abstract The physical properties of CdS is calculated by using the first principles pseudopotential plane wave method based on density functional theory (DFT). The calculated lattice parameters and elastic constants agree well with other theoretical values, and the crystal is determined to be structurally stable by the Born mechanical stability condition. The Debye temperature, Grüneisen parameters, heat capacity and thermal expansion coefficient of CdS under high temperature and high pressure were studied successfully by using the quasi-harmonic Debye model. The influence of pressure on thermal expansion coefficient and Debye temperature is greater than that of temperature. More >

S. Y. Chen^a,*, W. Wang^b

Chalcogenide Letters, Vol.21, No.4, pp. 293-304, 2024, DOI:10.15251/CL.2024.214.293

Abstract In this paper, we have presented the structural, elastic, mechanical, and electronic properties of the transition metal chalcogenide perovskite SnZrS₃ under different pressures by using first-principles method. Our calculated lattice parameters at ambient pressure are in good agreement with the experimental and previous theoretical results. The elastic constants were evaluated numerically for orthorhombic SnZrS₃ using the strain-stress approach. Orthorhombic SnZrS₃ shows a strong anisotropic behavior of the elastic and structural properties. According to the calculations of the electronic properties, we find the states near the valence band top are derived from S 3p, Zr 4d, Sn 5p, More >

Dong-Wook Lee^1,*, Heungjo An², Tae Yeon Kim³, Sungmun Lee⁴, Jide Oyebanji¹, Prabakaran Balasubramanian¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.31, No.2, pp. 1-1, 2024, DOI:10.32604/icces.2024.011286

Abstract This work analyzes the problems of material elastic constants identification and residual stresses determination in an orthotropic materials using hole drilling method. These problems are very important to understand mechanical performance of materials. A lot of optical method such as Moiré, laser speckle interferometry, digital image correlation or photoelasticity is developed to estimate displacement (or strain) fields or applied loads (or stresses) from images. These methods require a very complicated techniques, skill, and efforts to analysis images. But deep learning method based on a convolution neural network shows better performance in image analysis problems such… More >

J. Geng^*, J. Wu

Chalcogenide Letters, Vol.20, No.3, pp. 215-225, 2023, DOI:10.15251/CL.2023.203.215

Abstract First-principles method is performed to investigate the structural, electronic, elastic and mechanical characteristics of the tetragonal CuAlS₂ in the pressure range from 0 to 10 GPa. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The pressure has a more significant influence on the c direction than the a and b direction. The obtained elastic constants reveal the tetragonal CuAlS₂ is mechanically stable between 0 and 10 GPa. The bulk, shear, and Young’s modulus are evaluated by Voigt-Reuss-Hill approximation. All More >

Xiaoyu Gu¹, Linbi Chen², Seithati Mapesela³, Zheng Wang^1,*, Aijin Zhou⁴

Journal of Renewable Materials, Vol.11, No.12, pp. 4197-4210, 2023, DOI:10.32604/jrm.2023.028768 - 10 November 2023

Abstract The bamboo scrimber is an anisotropic material. The elastic constant values of the bamboo scrimber specimens measured by the dynamic and static methods are consistent, and the dynamic test method has the advantages of rapidity, simplicity, good repeatability, and high precision. Bamboo scrimber has strong potential as a building material, and its elastic constant is an important index to measure its mechanical properties. To quickly, simply, non-destructively, and accurately detect the elastic constant of the bamboo scrimber, they were dynamically tested by the free plate transient excitation method and cantilever plate torsional vibration method. The More >

S.D. Akbarov^1,2

CMC-Computers, Materials & Continua, Vol.32, No.1, pp. 29-60, 2012, DOI:10.3970/cmc.2012.032.029

Abstract By the use of the Murnaghan potential the influence of third order elastic constants on axisymmetric longitudinal wave propagation velocity in a pre-stressed two-layered circular hollow cylinder is investigated. This investigation is carried out within the scope of the piecewise homogeneous body model by utilizing the first version of the small initial deformation theory of the Three-dimensional Linearized Theory of Elastic Waves in Initially Stressed Bodies. Numerical results are obtained and analyzed for the cases where the material of the outer hollow cylinder material is aluminum, but the material of the inner cylinder is steel More >

M.R. Hematiyan^1,2, A. Khosravifard¹, Y.C. Shiah³, C.L. Tan⁴

CMES-Computer Modeling in Engineering & Sciences, Vol.87, No.1, pp. 55-76, 2012, DOI:10.3970/cmes.2012.087.055

Abstract An inverse technique, based on the boundary element method (BEM) and elastostatic experiments for identification of elastic constants of orthotropic and general anisotropic 2D bodies is presented. Displacement measurements at several points on the boundary of the body, obtained by a few known load cases are used in the inverse analysis to find the unknown elastic constants of the body. Using data from more than one elastostatic experiment results in a more accurate and stable solution for the identification problem. In the inverse analysis, sensitivities of displacements of only boundary points with respect to the More >

V.K. Tewary¹, M. D. Vaudin²

CMC-Computers, Materials & Continua, Vol.25, No.3, pp. 265-290, 2011, DOI:10.3970/cmc.2011.025.265

Abstract A semicontiuum Green's-function-based model is proposed for analysis of averaged mechanical characteristics of Si_xGe_{1 - x}. The atomistic forces in the model are distributed at discrete lattice sites, but the Green's function is approximated by the continuum GF in the far field and by the averaged lattice GF in the near field. Averaging is achieved by replacing Si and Ge atoms by identical hypothetical atoms that are x fraction Si and (1-x) fraction Ge. The parameters of the model are derived using the atomistic model from the interatomic potential between the hypothetical atoms. The interatomic potential… More >

G. Shi ¹, P. Zhao ¹

CMES-Computer Modeling in Engineering & Sciences, Vol.71, No.1, pp. 67-92, 2011, DOI:10.3970/cmes.2011.071.067

Abstract Based on molecular mechanics and the concept of flexible connection used in the flexibly connected frames, a new structural mechanics model, a 2-D frame composed of anisotropic beams and flexible connections, is proposed for the simulation of the static and dynamic flexural behavior of monolayer graphene. The equivalent beam representing the C-C bond in the new molecular structural mechanics (MSM) model has two salient features compared with other MSM models presented for the analysis of carbon nanotubes: one is that the flexible connections at the beam ends are used to account for the bond-angle variations… More >