Illia Khurtin^*, Mukesh Prasad

CMC-Computers, Materials & Continua, Vol.86, No.2, pp. 1-15, 2026, DOI:10.32604/cmc.2025.067481 - 09 December 2025

Abstract The field of artificial intelligence has advanced significantly in recent years, but achieving a human-like or Artificial General Intelligence (AGI) remains a theoretical challenge. One hypothesis suggests that a key issue is the formalisation of extracting meaning from information. Meaning emerges through a three-stage interpretative process, where the spectrum of possible interpretations is collapsed into a singular outcome by a particular context. However, this approach currently lacks practical grounding. In this research, we developed a model based on contexts, which applies interpretation principles to the visual information to address this gap. The field of computer… More >

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 >

Qianqian Hu, Chuhan Li, Mohan Zhang, Fang Liu^*

CMC-Computers, Materials & Continua, Vol.86, No.1, pp. 1-17, 2026, DOI:10.32604/cmc.2025.068225 - 10 November 2025

Abstract Due to the digital transformation tendency among cultural institutions and the substantial influence of the social media platform, the demands of visual communication keep increasing for promoting traditional cultural artifacts online. As an effective medium, posters serve to attract public attention and facilitate broader engagement with cultural artifacts. However, existing poster generation methods mainly rely on fixed templates and manual design, which limits their scalability and adaptability to the diverse visual and semantic features of the artifacts. Therefore, we propose CAPGen, an automated aesthetic Cultural Artifacts Poster Generation framework built on a Multimodal Large Language More >

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 >

I. Sajjad^a, U. Parveen¹, H. Al-Ghamdi^b,*, M. Yaseen^a, S. Saleem^a, Nasarullah^a

Chalcogenide Letters, Vol.22, No.9, pp. 829-845, 2025, DOI:10.15251/CL.2025.229.829

Abstract Herein, we employed modified Becke-Johson (mBJ) potential based first principles method to investigate the structural, optoelectronic, and magnetic properties of pure SrS and Ni doped Sr_1-xNi_xS alloys at varying doping concentrations. Formation enthalpy analysis predicts thermodynamical stability of resultant alloys. Geometry optimization was performed in order to optimize the super cells to obtain ground state energy state. After confirming their stability, we investigated their magnetic, electronic, and optical attributes. Pure SrS exhibits an indirect band gap of 3.53 eV (which is in good agreement with experiments), while nickel doping in SrS results in lowering the bandgap… More >

Yuanyuan Xiong¹, Tong Wu¹, Lixin Sun¹, Mingyu Hu², Jie Yu^1,*

CMC-Computers, Materials & Continua, Vol.85, No.3, pp. 4473-4489, 2025, DOI:10.32604/cmc.2025.067722 - 23 October 2025

Abstract Ag/Al₂O₃ powders are highly effective catalytic materials utilized in the epoxidation of ethylene to produce ethylene oxide. One of the critical challenges in this catalytic process is the stability of nano-sized Ag particles, especially during high-temperature catalysis. However, this issue can be effectively addressed through in-situ reaction synthesis. To gain a deeper understanding of the underlying mechanisms, the phase transformation process and the thermodynamic mechanism of the oxidation reaction in the Ag/Al₂O₃ system have been investigated using first-principles thermodynamic calculations in conjunction with traditional thermodynamic data. These calculations, whose accuracy has been verified, provide valuable insights into… More >

Xinyuan Shan^1,2, Yuan Wei¹, Jiayao Chen^1,*, Peng-Fei Cao^1,*

Journal of Polymer Materials, Vol.42, No.3, pp. 571-586, 2025, DOI:10.32604/jpm.2025.068907 - 30 September 2025

Abstract In recent years, ultrathin polymer-based electrolytes (UPEs) have emerged as a promising strategy to enhance the energy density of rechargeable batteries for wearable devices by minimizing electrolyte volume, demonstrating higher ionic conductance and lower internal resistance, and more compact battery stacking compared to conventional thick polymer-based electrolyte. This mini review systematically summarizes recent advances in ultrathin solid-state and gel-state electrolytes, focusing on their preparation strategies, advantages, and disadvantages, where the energy density, interfacial stability, mechanical properties, and ion-transport mechanisms are also analyzed for understanding the UPE application. Moreover, the challenges such as dendrite penetration and More >

Yury V. Knyazev, Semyon T. Baidak, Yury I. Kuz’min, Alexey V. Lukoyanov^*

CMC-Computers, Materials & Continua, Vol.83, No.3, pp. 4085-4095, 2025, DOI:10.32604/cmc.2025.065091 - 19 May 2025

Abstract The work presents the electronic structure computations and optical spectroscopy studies of half-Heusler ScNiBi and YNiBi compounds. Our first-principles computations of the electronic structures were based on density functional theory accounting for spin-orbit coupling. These compounds are computed to be semiconductors. The calculated gap values make ScNiBi and YNiBi valid for thermoelectric and optoelectronic applications and as selective filters. In ScNiBi and YNiBi, an intense peak at the energy of −2 eV is composed of the Ni 3d states in the conduction band, and the valence band mostly contains these states with some contributions from the… More >

M. Ishfaq^a, A. Aziz^a, S. A. Aldaghfag^b, S. Noreen^c, M. Zahid^c, M. Yaseen^a,*

Chalcogenide Letters, Vol.21, No.8, pp. 615-629, 2024, DOI:10.15251/CL.2024.218.615

Abstract Herein, structural, optoelectronic, and thermoelectric characteristics of Ba₂CaTeO₆ and Ba₂CaWO₆ oxides double perovskite have been evaluated by first-principles calculations. Enthalpy of formation and tolerance factor are computed to ensure the respective structural and thermodynamical stability. Ba₂CaTeO₆ and Ba₂CaWO₆ have mBJ computed bandgaps of 5.87 eV and 4.20 eV, respectively. Furthermore, the optical parameters like dielectric constants (ԑ₁(ω) & ԑ₂(ω)) and other related parameters are computed. The thermoelectric (TE) parameters were examined using the BoltzTraP package. The ZT values of Ba₂Ca(Te/W)O₆ at 450 K are 0.76/0.79, respectively. The outcomes of the Ba₂CaTeO₆ and Ba₂CaWO₆ double perovskite show that these materials are More >