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  • Open Access

    ARTICLE

    Modeling Pruning as a Phase Transition: A Thermodynamic Analysis of Neural Activations

    Rayeesa Mehmood*, Sergei Koltcov, Anton Surkov, Vera Ignatenko

    CMC-Computers, Materials & Continua, Vol.86, No.3, 2026, DOI:10.32604/cmc.2025.072735 - 12 January 2026

    Abstract Activation pruning reduces neural network complexity by eliminating low-importance neuron activations, yet identifying the critical pruning threshold—beyond which accuracy rapidly deteriorates—remains computationally expensive and typically requires exhaustive search. We introduce a thermodynamics-inspired framework that treats activation distributions as energy-filtered physical systems and employs the free energy of activations as a principled evaluation metric. Phase-transition–like phenomena in the free-energy profile—such as extrema, inflection points, and curvature changes—yield reliable estimates of the critical pruning threshold, providing a theoretically grounded means of predicting sharp accuracy degradation. To further enhance efficiency, we propose a renormalized free energy technique that More >

  • Open Access

    ARTICLE

    Theoretical exploration of the structure and physical properties of AgAlSe2

    T. J. Lia,*, Y. Yuea, L. P. Qua, H. J. Houb, S. H. Fanb, H. L. Guoc, S. R. Zhangd

    Chalcogenide Letters, Vol.22, No.10, pp. 917-927, 2025, DOI:10.15251/CL.2025.2210.917

    Abstract The material AgAlSe2, which adopts a chalcopyrite crystal structure, has attracted significant attention owing to its promising functional properties. To further explore its characteristics, theoretical method was conducted to explore its elastic behavior, electronic structure, dynamic stability, and thermodynamic features. The lattice parameters and elastic constants obtained through simulation agrees well with the reported data. Additionally, the mechanical stability of AgAlSe2 was assessed through its elastic constants, confirming its structural integrity. Electronic property analysis reveals that AgAlSe2 exhibits semiconducting behavior, featuring a direct band gap of approximately 1.1377 eV. More >

  • Open Access

    ARTICLE

    Phytochemicals, Antioxidation, and Heat Stability of Aqueous Extracts from Cherry (Prunus serrulata) Petals

    Sy-Yu Shiau*, Shuting Ni, Yanli Yu, Songling Cai, Wenbo Huang

    Phyton-International Journal of Experimental Botany, Vol.94, No.10, pp. 3047-3060, 2025, DOI:10.32604/phyton.2025.070289 - 29 October 2025

    Abstract Consumers are increasingly demanding natural colorants that are safe and offer health benefits. In addition to their ornamental characteristics, Kanzan cherry (KC) blossoms present a promising source of red-hued natural colorants and functional bioactive substances. This research utilized distilled water to extract KC petals (KCP) and their ground powders (KCPP) under varying temperatures (30°C–90°C) and times (30–180 min). The total monomeric anthocyanins (TMAC) and total phenolics (TPC) in the extracts were evaluated via the pH differential and Folin–Ciocalteu methods. Antioxidant capacities were assessed by DPPH free radical scavenging ability and reducing power. Results indicated that… More >

  • Open Access

    ARTICLE

    Thermodynamics Calculation of Reaction Synthesis Pathways for Ag-Al2O3 Powder By First-Principles Calculations

    Yuanyuan Xiong1, Tong Wu1, Lixin Sun1, Mingyu Hu2, Jie Yu1,*

    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 >

  • Open Access

    ARTICLE

    Porous Media-Based Full-Scale Modeling of Thermal Behavior in Rotary Gas-Gas Heat Exchangers

    Chen Zhu1, Xiao Ma1, Lumin Chen2, Qi Ma1, Yi Sun1, Fuping Qian1,*

    FDMP-Fluid Dynamics & Materials Processing, Vol.21, No.8, pp. 1895-1915, 2025, DOI:10.32604/fdmp.2025.067899 - 12 September 2025

    Abstract The rotary gas-gas heat exchanger (GGH) is a vital component in waste heat recovery systems, particularly for Selective Catalytic Reduction (SCR) processes employed in cement kiln operations. This study investigates the thermal performance of a rotary GGH in medium- and low-temperature denitrification systems, using a simplified porous medium model based on its actual internal structure. A porous medium representation is developed from the structural characteristics of the most efficient heat transfer element, and a local thermal non-equilibrium (LTNE) model is employed to capture the distinct thermal behaviors of the solid matrix and gas phase. To… More >

  • Open Access

    PROCEEDINGS

    Integrated Multiscale Unified Phase-Field Modellings (UPFM)

    Yuhong Zhao1,2,3,*

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.30, No.4, pp. 1-1, 2024, DOI:10.32604/icces.2024.012951

    Abstract For a long time, the phase-field method has been considered as a mesoscale phenomenological method lacking physical accuracy and unable to be associated with the mechanical/functional properties of materials, etc. Some misunderstandings existing in these viewpoints need to be clarified. Therefore, it is necessary to propose or adopt the perspective of “unified or unifying phase-field modeling (UPFM)” to address these issues, which means that phase-field modeling has multiple unifications. Specifically, the phase-field method is the perfect unity of thermodynamics and kinetics, the unity of multi-scale models from micro- to meso- and then to macroscopic scale, More >

  • Open Access

    PROCEEDINGS

    Thermodynamically-Consistent NVT Flash Calculation and Thermodynamics-Informed Neural Network (TINN) Accelerating Phase Equilibrium Estimates

    Tao Zhang1, Hua Bai2, Shuyu Sun1,*

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.26, No.2, pp. 1-2, 2023, DOI:10.32604/icces.2023.09050

    Abstract The current well-developed and widely-recognized models describing interfacial tension are explicit functions of volume, temperature and moles so that it is more straightforward to compute the derivative of interfacial tension with respect to volume than pressure. We will propose a novel and comprehensive multicomponent multi-phase flow simulation algorithms based on diffuse interface models. In order to improve the robustness and reliability, realistic EoSs, represented by Peng-Robinson equation of states, are selected to formulate the thermodynamic correlations and an NVT-based flash calculation scheme is used to control the phase behaviors [1]. Compared to the minimized Gibbs… More >

  • Open Access

    ARTICLE

    A Novel Method for Heat Exchange Evaluation in EV

    Mohammad Saraireh*

    Intelligent Automation & Soft Computing, Vol.36, No.1, pp. 57-70, 2023, DOI:10.32604/iasc.2023.032050 - 29 September 2022

    Abstract With the growing global energy and environmental problems, electric vehicles that are both environmentally friendly and cost effective have seen rapid growth. An electrified vehicle’s effective thermal management must include all of the vehicle’s systems. However, optimizing the thermal behavior of each component is insufficient. A lithium-ion battery’s operating temperature has a significant impact on its performance. When working at low temperatures, the internal resistance of lithium-ion batteries increases, the available energy and power of the system decreases, and lithium precipitation caused by low-temperature charging may cause safety issues; high-temperature operation and temperature inconsistency between… More >

  • Open Access

    ARTICLE

    Cell bioenergetics: Simple logics, complex solution

    LUIS S. MAYORGA*

    BIOCELL, Vol.46, No.10, pp. 2217-2220, 2022, DOI:10.32604/biocell.2022.020806 - 13 June 2022

    Abstract Cells are open systems that exchange energy and molecules with their environment. As any material system, they perform all the complex activities required for homeostasis and reproduction, obeying the thermodynamic laws. This viewpoint will argue that the basic logic governing the energy flux required to preserve cell organization and function is simple: to decrease the activation energy (Ea) of specific processes. Almost none of the possible chemical reactions and energy transformations inside a cell occur at a measurable speed at room or body temperature. Enzymes or other macromolecular structures speed up particular transformations by decreasing More >

  • Open Access

    ARTICLE

    A Novel Method for Thermoelectric Generator Based on Neural Network

    Mohammad Saraireh1,*, A. M. Maqableh2, Manar Jaradat3, Omar A. Saraereh4

    CMC-Computers, Materials & Continua, Vol.73, No.1, pp. 2115-2133, 2022, DOI:10.32604/cmc.2022.029978 - 18 May 2022

    Abstract The growing need for renewable energy and zero carbon dioxide emissions has fueled the development of thermoelectric generators with improved power generating capability. Along with the endeavor to develop thermoelectric materials with greater figures of merit, the geometrical and structural optimization of thermoelectric generators is equally critical for maximum power output and efficiency. Green energy strategies that are constantly updated are a viable option for addressing the global energy issue while also protecting the environment. There have been significant focuses on the development of thermoelectric modules for a range of solar, automotive, military, and aerospace… More >

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