Yonggang Tong^1,*, Kai Yang¹, Pengfei Li¹, Yongle Hu¹, Xiubing Liang^2,*, Jian Liu³, Yejun Li⁴, Jingzhong Fang¹

CMC-Computers, Materials & Continua, Vol.86, No.1, pp. 1-15, 2026, DOI:10.32604/cmc.2025.071890 - 10 November 2025

Abstract (NbZrHfTi)C high-entropy ceramics, as an emerging class of ultra-high-temperature materials, have garnered significant interest due to their unique multi-principal-element crystal structure and exceptional high-temperature properties. This study systematically investigates the mechanical properties of (NbZrHfTi)C high-entropy ceramics by employing first-principles density functional theory, combined with the Debye-Grüneisen model, to explore the variations in their thermophysical properties with temperature (0–2000 K) and pressure (0–30 GPa). Thermodynamically, the calculated mixing enthalpy and Gibbs free energy confirm the feasibility of forming a stable single-phase solid solution in (NbZrHfTi)C. The calculated results of the elastic stiffness constant indicate that the… More >

Binchang Ma¹, Xinhai Yu², Gang Huang^3,*

CMC-Computers, Materials & Continua, Vol.86, No.1, pp. 1-21, 2026, DOI:10.32604/cmc.2025.071320 - 10 November 2025

Abstract Vacancy defects, as fundamental disruptions in metallic lattices, play an important role in shaping the mechanical and electronic properties of aluminum crystals. However, the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood. In this study, transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys, suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation. To complement these observations, first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum. The stress response, total energy, density of states More >

Jiling Song¹, Hua Wang^2,*, Jianbing Guo¹, Minghua Lin², Bin Zheng^2,*, Jiqiang Wu^3,*

Journal of Polymer Materials, Vol.42, No.4, pp. 1143-1157, 2025, DOI:10.32604/jpm.2025.073414 - 26 December 2025

Abstract The pursuit of safer energy storage systems is driving the development of advanced electrolytes for lithium-ion batteries. Traditional liquid electrolytes pose flammability risks, while solid-state alternatives often suffer from low ionic conductivity. Gel polymer electrolytes (GPEs) emerge as a promising compromise, combining the safety of solids with the ionic conductivity of liquids. Cellulose, an abundant and eco-friendly polymer, presents an ideal base material for sustainable GPEs due to its biocompatibility and mechanical strength. This study systematically investigates how drying methods affect cellulose-based GPEs. Cellulose hydrogels were synthesized through dissolution-crosslinking and processed using vacuum drying (VD),… More >

M. F. Aziz^1,2,*, A. A. Rahim¹, A. R. M. Rais^1,2,*

Journal of Polymer Materials, Vol.42, No.4, pp. 1097-1109, 2025, DOI:10.32604/jpm.2025.071129 - 26 December 2025

Abstract To study the behavior of structural dynamics, ionic conductivity and ion transport properties, the gel polymer electrolytes (GPEs) was developed using polyvinyl alcohol in combination with potassium iodide, dimethyl sulfoxide, ethylene carbonate, propylene carbonate and tetra-N-propylammonium iodide (C₁₂H₂₈IN), The GPEs were synthesized via a solution mixing technique, systematically varying the tetra-N-propylammonium iodide concentration to optimize ionic transport properties. The gel polymer electrolytes (GPEs) preparation was initially dissolving the potassium iodide and tetra-N-propylammonium iodide in a measured combination of ethylene carbonate, propylene carbonate, and dimethyl sulfoxide within a glass container. Subsequently, polyvinyl alcohol (PVA) was introduced into… More >

Shuoting Xiao^1,*, Nikita Igorevich Fomin¹, Kirill Anatolyevich Khvostunkov², Chong Liu¹

CMES-Computer Modeling in Engineering & Sciences, Vol.145, No.3, pp. 2821-2847, 2025, DOI:10.32604/cmes.2025.071961 - 23 December 2025

Abstract Precast concrete structures have gained popularity due to their advantages. However, the seismic performance of their connection joints remains an area of ongoing research and improvement. Grouted Sleeve Connection (GSC) offers a solution for connecting reinforcements in precast components, but their vulnerability to internal defects, such as construction errors and material variability, can significantly impact performance. This article presents a finite element analysis (FEA) to evaluate the impact of internal grouting defects in GSC on the structural performance of precast reinforced concrete columns. Four finite element models representing GSC with varying degrees of defects were… More > Graphic Abstract

S. Saleem^a, U. Parveen^a, H. AL-Ghamdi^b,*, M. Yaseen^a, I. Sajjad^a, Nasarullah^a

Chalcogenide Letters, Vol.22, No.3, pp. 223-237, 2025, DOI:10.15251/CL.2025.223.223

Abstract Present research reveals the doping effect on physical properties of Sr_1-xFe_xS by employing ab-initio calculations. The negative formation energy and optimization outcomes exhibit the stability of the Sr_1-xFe_xS alloys with ferromagnetic phase. Spin dependent band structure (BS) and density of states (DOS) interpret that Sr_1-xFe_xS revealed half metallic ferromagnetic (HMF) nature at 6.25% and 12.5% of Fe doping while metallic character is revealed at 25% concentration of dopant. Spin-up state of Sr_0.9375Fe_0.0625S and Sr_0.8750Fe_0.1250S depicts semiconductive behavior with bandgap value of 2.01/2.33 eV, correspondingly, while metallic in spin-down channel. The magnetism in the system is mainly originated because… More >

Q. N. Gao^a, H. L. Zhang^a, Z. H. Dong^a, Y. J. Liu^b, N. N. Zhou^a, P. P. Zhang^a, J. Wang^c,*

Chalcogenide Letters, Vol.22, No.3, pp. 205-221, 2025, DOI:10.15251/CL.2025.223.205

Abstract The structural, mechanical, electronic, and thermodynamic properties of CuC_xSnC_1-xTe (x = 0, 0.03125, 0.0625, 0.125, and 0.25) are investigated through first-principles calculations. The studied structures are all cubic and own negative enthalpy of formation. The elastic constants and mechanical properties (B, G, E and ν) are predicted. The bandgap of SnTe evaluated by HSE06 is 0.25 eV, closing to the experimental data 0.19 eV. All studied Cu-doped compounds behave metallic. In addition, the thermodynamic properties (G, H, S, C_P, and CC_V) of the materials, together with the bulk modulus and thermal expansion coefficient versus temperature have been More >

S. W. Jo^†, I. H. Kim^†, Y. J. Jeong^*

Chalcogenide Letters, Vol.22, No.3, pp. 189-196, 2025, DOI:10.15251/CL.2025.223.189

Abstract Copper selenide has emerged as a promising thermoelectric material due to its unique structural properties and tunable electronic band structure. However, its practical application is hindered by its relatively high thermal conductivity. In this study, we report on the turning of thermal conductivity and thermoelectric energy conversion by preparing a hybrid composite material including nano- and micro-sized Cu₂Se. By employing a hydrothermal synthesis method with cetyltrimethylammonium bromide (CTAB) as a surfactant, we successfully synthesized nano-sized Cu_₂Se particles with uniform size distribution. The incorporation of these nano-sized particles with micro-sized Cu₂Se resulted in a significant reduction in More >

S. Çelik^a,*, M. Temiz^b

Chalcogenide Letters, Vol.22, No.1, pp. 89-96, 2025, DOI:10.15251/CL.2025.221.89

Abstract In this study, PbZnS thin films with varying concentrations of lead (Pb) and zinc (Zn) were successfully produced using the spray pyrolysis method. The structural, optical and surface properties of the films were systematically investigated as a function of the Pb/Zn ratio. Xray diffraction (XRD) analysis confirmed the polycrystalline nature of the films, showing a cubic zinc blende structure with improved crystallinity as Pb content increased. Initially, with the increase in Pb concentration, larger crystallite sizes and decreased microstress were observed, but with the increase of Pb addition, the formation of secondary phases and the… More >

H. R. Shakir^a, O. A. Chichan^b, M. S. Sada^c,*, S. A. Hussein^d, S. S. Chiad^e, N. F. Habubi^f, Y. H. Kadhim^g, M. Jadan^h,i

Chalcogenide Letters, Vol.22, No.1, pp. 77-89, 2025, DOI:10.15251/CL.2025.221.77

Abstract CdS, and CdS: Al were grown onto glass bases via Chemical spray pyrolysis (CSP). XRD analysis of CdS films indicates a polycrystalline hexagonal structure with a predominant orientation of the (101) plane. The strain decreased from 28.55 to 25.66, and the grain size of undoped CdS films was around (13.51–12.14) nm as Al content rose. According to the results of AFM, CdS, CdS:2% Al, and CdS:4% Al all exhibit smooth surfaces with decreasing particle size in the range of (78.46), (69.75), and (42.20) nm, respectively. The root-mean-square roughness values for CdS and CdS:4% Al were… More >