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Search Results (402)

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Keywords = thermal relaxation time

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15 pages, 1284 KB  
Article
The Evolution of Self-Gravitating Radiating Geodesic Fluid Spheres Instantaneously Admitting a Time-like Killing
by Luis Herrera and Alicia Di Prisco
Entropy 2026, 28(6), 684; https://doi.org/10.3390/e28060684 (registering DOI) - 13 Jun 2026
Abstract
In this study, we analyze the effects produced by the sudden appearance of a time-like Killing vector (TKV) on the evolution of radiating geodesic fluids. This is achieved by resorting to the concept of an asymmetry factor, which allows the instantaneous appearance of [...] Read more.
In this study, we analyze the effects produced by the sudden appearance of a time-like Killing vector (TKV) on the evolution of radiating geodesic fluids. This is achieved by resorting to the concept of an asymmetry factor, which allows the instantaneous appearance of a given symmetry for a given value of a time-like coordinate. All relevant physical variables are analyzed in detail, showing the imprints of the emergence of TKV at some point in the evolution. The main lesson that can be extracted from the obtained results is that the sudden appearance of a TKV, even for an infinitesimal period of time, drastically changes the subsequent evolution of the system. Of particular relevance is the appearance of a thermal effect linking the asymmetry factor and the relaxation time. The potential applications of these results in the study of gravitational collapse are discussed at the end of the paper. Full article
(This article belongs to the Section Astrophysics, Cosmology, and Black Holes)
25 pages, 4440 KB  
Article
A Modified Time-Fractional Lord–Shulman Approach to Thermoelasticity in Hollow Spheres with Variable Thermal Conductivity
by Ashraf M. Zenkour, Noha M. Seyam and Maryam H. Aljadani
Math. Comput. Appl. 2026, 31(3), 105; https://doi.org/10.3390/mca31030105 (registering DOI) - 12 Jun 2026
Viewed by 69
Abstract
This study investigates a 2D fractional order generalized thermoelastic problem in a homogeneous and isotropic thermoelastic hollow sphere. The sphere is exposed to a decaying heat source, and the governing equations are derived using a refined fractional-order Lord–Shulman (LS) model of generalized thermoelasticity. [...] Read more.
This study investigates a 2D fractional order generalized thermoelastic problem in a homogeneous and isotropic thermoelastic hollow sphere. The sphere is exposed to a decaying heat source, and the governing equations are derived using a refined fractional-order Lord–Shulman (LS) model of generalized thermoelasticity. The Laplace transform technique is used to convert time-dependent PDEs into simpler ODEs in the Laplace domain. Its numerical inversion method is used to revert to the time domain. Numerical simulations are carried out to investigate the distributions of temperature, displacement, and stress fields within the hollow sphere. The obtained results reveal that both the fractional-order parameter and the variable thermal conductivity strongly affect the thermoelastic response, particularly the propagation characteristics of thermal waves, stress intensity, and relaxation behavior. In addition, the curvature of the hollow geometry plays an important role in modifying the radial and circumferential stress distributions and their attenuation throughout the medium. Full article
22 pages, 4522 KB  
Article
Dielectric Relaxation and Conduction Mechanisms in Se90Sn6Pb4 Chalcogenide Glass for Memory and Sensor Applications
by Adel A. Shaheen, Mousa M. A. Imran, Vladimír Holcman, Ammar Alsoud and Rashid Dallaev
Appl. Sci. 2026, 16(12), 5788; https://doi.org/10.3390/app16125788 - 8 Jun 2026
Viewed by 184
Abstract
This study investigates the dielectric relaxation and conduction mechanisms in Se90Sn6Pb4 chalcogenide glassy material, which is of interest for applications in phase-change memory devices, optical memory, and thermoelectric sensors. Despite previous studies on chalcogenide glasses, [...] Read more.
This study investigates the dielectric relaxation and conduction mechanisms in Se90Sn6Pb4 chalcogenide glassy material, which is of interest for applications in phase-change memory devices, optical memory, and thermoelectric sensors. Despite previous studies on chalcogenide glasses, the conduction mechanisms at varying temperatures and the role of correlated barrier hopping (CBH) remain unclear. Using impedance spectroscopy in the frequency range 1 Hz–1 MHz at temperatures from 288 K to 318 K, the real (Z) and imaginary (Z) parts of the complex impedance were recorded. The sample was also characterized by X-ray diffraction (XRD) to confirm its glassy nature, and X-ray photoelectron spectroscopy (XPS) to determine the surface chemical composition and oxidation states of the elements. Peaks in Z at each temperature were used to evaluate the relaxation time τ, revealing thermally activated processes with an activation energy of 0.62 eV. Nyquist plots showed semicircular behavior with decreasing radii at higher temperatures, indicating enhanced d.c. conductivity with an activation energy of 0.63 eV. A.C. conductivity analysis demonstrated frequency-dependent behavior consistent with the CBH model, with hopping energy calculated as 0.32 eV. The dielectric loss increased with temperature and decreased with frequency, stabilizing above 250 Hz at 318 K. These findings provide new insights into the dielectric and conduction properties of Se90Sn6Pb4 glasses, supporting their optimization for practical electronic applications. Full article
(This article belongs to the Section Chemical and Molecular Sciences)
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28 pages, 2857 KB  
Article
Entropy Production from Spin–Vibrational Coupling in Endohedral-Fullerene Qubits Encapsulated in Suspended Carbon Nanotubes
by Cristian Staii
Entropy 2026, 28(6), 646; https://doi.org/10.3390/e28060646 - 8 Jun 2026
Viewed by 99
Abstract
Hybrid carbon nanotube–fullerene architectures provide a controllable setting in which to study irreversibility and information flow in strongly structured quantum environments. We analyze entropy generation in a platform where paramagnetic endohedral fullerenes (PEFs), such as N@C60 and P@C60, are encapsulated [...] Read more.
Hybrid carbon nanotube–fullerene architectures provide a controllable setting in which to study irreversibility and information flow in strongly structured quantum environments. We analyze entropy generation in a platform where paramagnetic endohedral fullerenes (PEFs), such as N@C60 and P@C60, are encapsulated inside a suspended carbon nanotube (CNT) resonator, such that selected multi-level PEF spin states define an effective qubit coupled to quantized CNT flexural modes. Motivated by prior work on fullerene-filled CNTs, on spin–phonon manipulation in suspended nanotubes, and on exact phase-space propagators for damped driven oscillators, we formulate a hybrid open-system description that combines a driven quantum Brownian description of the CNT resonator with an effective Jaynes–Cummings type spin–vibrational interaction. The resonator dynamics are represented in phase space through the Wigner function, whose time evolution can be written analytically in terms of the initial Wigner distribution and a Gaussian propagator. This representation makes it possible to separate drive-induced phase space displacement, diffusion, and damping, and to connect these features directly to entropy flow. The coupled spin–mechanical dynamics are then embedded in a Lindblad quantum master equation that includes mechanical damping, spin relaxation, pure dephasing, and thermally activated excitation channels. Within this framework we derive the entropy balance equation—identifying entropy flux and non-negative entropy production—and examine how hybridization between the molecular spin and the nanotube vibration redistributes irreversibility between coherent exchange and dissipative channels. We show that spin–phonon coupling enhanced by a magnetic field gradient, resonant driving, and moderate thermal occupation can produce identifiable crossovers between entropy–production regimes dominated by the oscillator and those dominated by the spin. The resulting framework provides a quantitative basis for using CNT–PEF hybrids as nanoscale platforms for studying nonequilibrium quantum thermodynamics, decoherence, and information loss in structured vibrational environments. Full article
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26 pages, 13107 KB  
Article
A Physics-Informed Manifold Neural Operator Framework for Multi-Parameter Prediction of Polymer Aging in HTPB Solid Propellants
by Shun Liu, Hongfu Qiang, Tingjing Geng, Xueren Wang, Shudi Pei and Xin Ju
Polymers 2026, 18(11), 1400; https://doi.org/10.3390/polym18111400 - 4 Jun 2026
Viewed by 187
Abstract
Predictive modeling of thermal aging in solid propellants is challenging because HTPB-based propellants are highly filled particle-reinforced polymer systems with sparse experimental data, nonlinear parameter coupling, and partially unclear aging mechanisms. This study proposes a Physics-Informed Manifold Neural Operator (PIMANO) framework for multi-parameter [...] Read more.
Predictive modeling of thermal aging in solid propellants is challenging because HTPB-based propellants are highly filled particle-reinforced polymer systems with sparse experimental data, nonlinear parameter coupling, and partially unclear aging mechanisms. This study proposes a Physics-Informed Manifold Neural Operator (PIMANO) framework for multi-parameter prediction of polymer aging in HTPB solid propellants. Accelerated thermal aging, stress relaxation, and swelling experiments were used to obtain aging temperature, aging time, crosslinking density, and viscoelastic Prony-series parameters. A continuous aging-state field was first reconstructed over the temperature–time domain by radial basis function interpolation. Crosslinking density was then introduced as a physically interpretable bridge-state variable linking aging conditions with viscoelastic responses. Among three candidate kinetic models, the modified Arrhenius–Avrami model gave the best fitting performance for crosslinking-density evolution, with R2 = 0.988 and MRE = 0.0199. By combining local multi-scale neighborhood features, manifold latent representations, and DeepONet-based operator learning, PIMANO established a unified mapping from aging conditions to multi-parameter viscoelastic responses while incorporating bridge-state consistency, parameter non-negativity, and evolution-direction constraints. Under the RBF-augmented validation setting, PIMANO-ae achieved RMSE = 0.7847, MAE = 0.3366, R2 = 0.9995, and MRE = 0.0027. Compared with the traditional model, RMSE, MAE, and MRE were reduced by 94.93%, 96.47%, and 96.85%, respectively. Temperature leave-one-out validation further yielded average R2 values of 0.9469–0.9647 and MRE values of 4.98–6.21% at unseen aging temperatures. These results demonstrate that PIMANO provides an accurate, stable, and physically interpretable framework for multi-parameter aging prediction and life-assessment modeling of polymer-based energetic materials. Full article
(This article belongs to the Section Polymer Analysis and Characterization)
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16 pages, 1916 KB  
Article
Study on the Modification Mechanism and Rheological Properties of Bio-Oil-Based Composite-Modified Material for TOP-DOWN Crack Treatment in Long-Life Pavement
by Haining Wang, Xiangpeng Yan, Qingming Wang, Wenjuan Wu, Yao Tian and Qinsheng Xu
J. Compos. Sci. 2026, 10(6), 298; https://doi.org/10.3390/jcs10060298 - 29 May 2026
Viewed by 232
Abstract
To address the durability limitations of conventional crack sealants under coupled extreme temperatures and traffic loads in long-life pavements, a bio-oil composite-modified patching material was developed using 90# base asphalt as the matrix, synergistically modified with crumb rubber (CR) and epoxidized soybean oil [...] Read more.
To address the durability limitations of conventional crack sealants under coupled extreme temperatures and traffic loads in long-life pavements, a bio-oil composite-modified patching material was developed using 90# base asphalt as the matrix, synergistically modified with crumb rubber (CR) and epoxidized soybean oil (ESO). To resolve the contradictory requirements for high elasticity and thermal expansion/contraction coordination in sealants, ESO was introduced; its polar epoxy groups optimize phase compatibility and promote low-temperature stress relaxation without restricting thermal deformability. Rheological evaluations revealed that the optimal system (OPT) successfully extended the service temperature window from PG 76–−24 °C (baseline) to PG 82–−24 °C, significantly enhancing its adaptability to extreme climatic fluctuations. At −24 °C, OPT exhibited a reduced creep stiffness (S) of 164 MPa and an increased creep rate (m) of 0.312, with a cracking resistance ratio (k) as low as 525.6; the quantitative significance of these metrics lies in granting the sealant superior stress relaxation capacity, enabling it to accommodate dynamic crack widening without interfacial debonding or brittle fracture. Fatigue testing via time sweeps demonstrated that Nf50 reached 2890 cycles, highlighting robust long-term resistance against high-frequency shear strains induced by tire edges. Micro-mechanistic analyses (FTIR, TG/DTG, and DSC) confirmed that the modification is primarily driven by physical blending. The elevation of the thermal decomposition threshold (T5%) to 302.4 °C and the residue at 600 °C to 44.8% provide a critical safety margin for high-temperature construction heating, preventing thermal degradation. Furthermore, the glass transition temperature (Tg) decreased to approximately −35.2 °C. These findings establish a rigorous quantitative and mechanistic framework for designing sustainable, high-performance patching materials for resilient pavement maintenance. Full article
(This article belongs to the Special Issue Advanced Composite Materials for Civil Construction Applications)
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13 pages, 1888 KB  
Article
Experimental and Modeling Study on the Aging Behavior of Silicone Rubber Foam: A Simplified Ogden Approach with a Single Time-Varying Parameter
by Haiyan Li, Gui Huang, Ming Guo, Fei Wu, Biao Li and Xin Xie
Polymers 2026, 18(11), 1344; https://doi.org/10.3390/polym18111344 - 28 May 2026
Viewed by 251
Abstract
Silicone rubber foam is widely used in multi-field engineering protection due to its excellent cushioning and thermal insulation properties. However, its performance degradation caused by long-term service aging seriously affects equipment reliability. Establishing a constitutive model that can accurately characterize the mechanical response [...] Read more.
Silicone rubber foam is widely used in multi-field engineering protection due to its excellent cushioning and thermal insulation properties. However, its performance degradation caused by long-term service aging seriously affects equipment reliability. Establishing a constitutive model that can accurately characterize the mechanical response during aging is crucial for studying performance degradation and finite element simulation. Traditional multi-parameter aging constitutive models suffer from problems such as easy convergence to local optimal solutions and poor physical interpretability of parameters. To address these issues, this study systematically characterizes the evolution laws of the stress–strain response, compression set, and stress relaxation of silicone rubber foam over an aging period of 0–768 h through accelerated thermal aging and uniaxial compression tests and proposes a second-order Ogden aging constitutive model with a single time-varying parameter. This model fixes α1, α2, and μ2 as constants and only sets μ1 as the time-varying parameter, reducing the number of parameters to be fitted from four to one. The coefficient of determination (R2) of the full-cycle stress–strain curve fitting is ≥0.9966. Meanwhile, a quantitative physical correlation between μ1 and macroscopic aging performance indicators is established, enabling the direct prediction of the mechanical response of aged materials using measurable macroscopic indicators. This work provides an efficient and reliable modeling method for the aging performance evaluation and structural simulation of silicone rubber foam. Full article
(This article belongs to the Special Issue Degradation and Stability of Polymer-Based Systems: 3rd Edition)
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23 pages, 4286 KB  
Article
Multi-Stage Thermal Relief Start-Up Strategy for Gaseous Fueled Micro Turbojets Considering Heat Accumulation Effects
by Zhongqing Sang, Maosheng Sun, Po Li and Dibin Huang
Processes 2026, 14(11), 1715; https://doi.org/10.3390/pr14111715 - 25 May 2026
Viewed by 178
Abstract
To address the issues of start-up over-temperature and sharp reduction in creep life caused by the lack of droplet evaporation latent heat cooling effect when adapting micro turbojet engines (MTEs) to gaseous fuels (GFs), this study optimized the start-up control strategy based on [...] Read more.
To address the issues of start-up over-temperature and sharp reduction in creep life caused by the lack of droplet evaporation latent heat cooling effect when adapting micro turbojet engines (MTEs) to gaseous fuels (GFs), this study optimized the start-up control strategy based on the heat accumulation effect (HAE). By establishing a 160 kgf-class MTE GF experimental platform, the nonlinear coupling mechanism between the “supply-and-burn” characteristic of GFs and the lag of rotor aero-thermodynamic response was deeply analyzed. The study found that traditional linear fuel supply strategies ignore the closed-loop energy balance under the small volume effect of the combustor, which easily causes the exhaust gas temperature (EGT) to remain above the safety threshold for a prolonged period. Unlike conventional continuous ramping strategies, this study proposes a novel open-loop multi-stage thermal relief start-up strategy. By introducing speed dwell windows in the early ignition and mid-acceleration stages, dynamic thermal relaxation intervals were constructed to achieve a “deep washout” of the accumulated thermal load. Experimental results indicate that although the optimized strategy slightly increases the instantaneous peak temperature due to the adjustment of the acceleration slope, it effectively cuts off the over-temperature time. Specifically, the over-temperature duration is reduced from 17.2 s to 11.4 s (a 33.7% reduction), and the over-temperature severity index decreases from 756.76 °C·s to 451.70 °C·s (a 40.3% reduction). This strategy successfully achieves the smooth start-up of the GF MTE, providing an efficient and reliable start-up control paradigm for the transition of micro power systems to low-carbon/zero-carbon fuels. Full article
(This article belongs to the Special Issue Advances in Combustion Processes: Fundamentals and Applications)
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27 pages, 3450 KB  
Article
An Ab Initio Molecular Dynamics Study of Key Thermodynamic Input Parameters for Computer Simulation of U-6Nb Solidification
by Alexander Landa, Leonid Burakovsky, Per Söderlind, Lin H. Yang, Babak Sadigh, John D. Roehling and Joseph T. McKeown
Appl. Sci. 2026, 16(11), 5189; https://doi.org/10.3390/app16115189 - 22 May 2026
Viewed by 199
Abstract
The key to metallic fuel development is the fabrication of uranium metal and alloys into fuel forms. U-Nb alloys are one of the best candidates for a metallic fuel alloy with high-temperature strength sufficient to support the core, acceptable nuclear properties, good fabricability, [...] Read more.
The key to metallic fuel development is the fabrication of uranium metal and alloys into fuel forms. U-Nb alloys are one of the best candidates for a metallic fuel alloy with high-temperature strength sufficient to support the core, acceptable nuclear properties, good fabricability, and compatibility with usable coolant media. Melt processing has been a key component of the metallic fuel cycle, and process models require thermophysical parameters at elevated temperatures, particularly above the melting temperatures, regarding which experimental data are scarce, for accurate simulations and process development. By means of ab initio density-functional theory (DFT) quantum molecular dynamics (QMD), we have calculated the main thermophysical parameters—the density, thermal expansion coefficient, specific heat, thermal conductivity, melting temperature, latent heat of fusion, and viscosity—used in the modeling of the U-6 wt.% Nb alloy casting. The melting temperature of the U-6 wt.% Nb alloy at ambient pressure is obtained by means of QMD simulations using the Z-method. The ambient volume change and latent heat of melting of U-6 wt.% Nb are also derived from QMD simulations in conjunction with analytical fitting for the energy and pressure. The thermal conductivity for the solid U-Nb alloy is calculated from the semi-classical Boltzmann transport equation combined with an estimate of the electron relaxation time obtained from DFT simulations. Full article
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18 pages, 3309 KB  
Article
Semiconductor–Conductor Transition Analysis by Low-Frequency Impedance in Ultrasonically Synthesized Al-Doped Sodium Tantalate
by Catalin N. Marin, Madalin O. Bunoiu, Paula Sfirloaga and Iosif Malaescu
Crystals 2026, 16(5), 306; https://doi.org/10.3390/cryst16050306 - 4 May 2026
Viewed by 300
Abstract
An aluminum-doped NaTaO3 perovskite sample was prepared by the ultrasonic method, employing an immersed sonotrode, followed by thermal treatment at 600 °C for 6 h in air. X-ray diffraction analysis reveals a biphasic system with relatively low crystallinity, consisting of a dominant [...] Read more.
An aluminum-doped NaTaO3 perovskite sample was prepared by the ultrasonic method, employing an immersed sonotrode, followed by thermal treatment at 600 °C for 6 h in air. X-ray diffraction analysis reveals a biphasic system with relatively low crystallinity, consisting of a dominant NaTaO3 perovskite phase and a secondary Na2Ta4O11 phase. Optical investigations indicate a reduced band gap energy of 3.77 eV compared to undoped NaTaO3 (4 eV), suggesting enhanced absorption toward the infrared region and improved photocatalytic potential. Fourier Transform Infrared FTIR Spectroscopy highlights the emergence of a distinct absorption band at 670 cm−1, attributed to Ta–O and Al–O stretching vibrations, evidencing successful incorporation of Al dopants. Complex impedance analysis over the frequency and temperature ranges of (20 Hz–2 MHz) and (29–100) °C identifies, for the first time, the semiconductor–conductor transition temperature at 58 °C. Nyquist analysis further supports the coexistence of grain and grain boundary contributions, modeled via equivalent R and CPE parallel circuits. Conductivity studies confirm obedience to Jonscher’s universal law, with a change in σDC slope near 54 °C, corroborating semiconductor–conductor transition behavior. Dielectric measurements similarly indicate a relaxation process linked to interfacial polarization, with a transition temperature of (~54 °C). Overall, the ultrasonic synthesis route uniquely enables a biphasic structure that facilitates the observation of a low-temperature semiconductor-to-conductor transition, absent in analogous single-phase materials obtained via sol–gel methods. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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17 pages, 2279 KB  
Article
Deactivation Mechanism and Thermal Decomposition Kinetics of Mechanically Activated Pyrite in Air
by Yajing Chen, Hongying Yang, Linlin Tong, Guomin Chen and Jianing Xu
Minerals 2026, 16(5), 443; https://doi.org/10.3390/min16050443 - 24 Apr 2026
Viewed by 347
Abstract
Mechanically activated pyrite plays an important role in gold extraction and coal utilization, but its reactivity may change markedly during storage. This study investigates how air deactivation during storage affects the crystal structure and subsequent thermal decomposition behavior of mechanically activated pyrite. Pyrite [...] Read more.
Mechanically activated pyrite plays an important role in gold extraction and coal utilization, but its reactivity may change markedly during storage. This study investigates how air deactivation during storage affects the crystal structure and subsequent thermal decomposition behavior of mechanically activated pyrite. Pyrite was mechanically activated and then stored in air for 0, 7 and 180 days. X-ray diffraction (XRD) combined with Rietveld refinement was used to characterize variations in lattice parameters and unit-cell-related structural features, while non-isothermal thermogravimetric–differential scanning calorimetry (TG-DSC) under an argon atmosphere, together with the Flynn–Wall–Ozawa (FWO) method, was applied to evaluate the decomposition kinetics. Air deactivation induced a non-monotonic evolution of lattice parameters and unit-cell volume, which is attributed to combined effects of residual stress relaxation and air-induced surface-related modification during storage. All samples exhibited two mass-loss stages during heating, reflecting stepwise thermal decomposition, and their decomposition behavior varied systematically with deactivation time. The apparent activation energy depended on both conversion fraction and deactivation degree, and nucleation-and-growth-type mechanisms were found to dominate the decomposition process, with their relative contributions evolving with storage time. These results clarify how prior air-deactivation history influences the structural evolution and subsequent thermal decomposition behavior of mechanically activated pyrite and provide useful insight for its storage and utilization in related processes. Full article
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21 pages, 13356 KB  
Article
In Situ Casting Integrated with FDM 3D Printing: Curing Behavior, Process Constraints, and Mechanical Demonstration
by Supatpromrungsee Saetia, Pimolkan Piankitrungreang and Ratchatin Chancharoen
Polymers 2026, 18(8), 1003; https://doi.org/10.3390/polym18081003 - 21 Apr 2026
Viewed by 706
Abstract
Dispensing-based in situ casting offers a practical route for introducing dense or mechanically distinct polymer regions into fused deposition modeling (FDM) parts during fabrication. This study investigates the curing-dependent process constraints governing stable integration of in situ casting within an FDM workflow. In [...] Read more.
Dispensing-based in situ casting offers a practical route for introducing dense or mechanically distinct polymer regions into fused deposition modeling (FDM) parts during fabrication. This study investigates the curing-dependent process constraints governing stable integration of in situ casting within an FDM workflow. In the proposed process, FDM is used to fabricate thermoplastic confinement geometries, after which liquid polymer is dispensed into selected cavities and cured before printing resumes. Two representative curing systems were examined: a UV-curable photopolymer and a two-component epoxy resin. The experimental program included UV curing characterization under perpendicular 405 nm exposure, infrared thermal imaging of curing-induced heat generation and dissipation, confined curing of epoxy resin, layer-wise integration within an FDM-printed cavity, and a representative mechanical linkage demonstration. The results show that UV-based in situ casting is constrained by the coupled effects of curing depth, peak temperature, and visible deformation, making staged curing with intermediate thermal relaxation necessary for stable operation. In contrast, the epoxy system enabled bulk cavity filling with lower peak temperature, but required substantially longer curing time, introducing a different process limitation. A layer-wise UV curing strategy enabled successful stacking of four cast layers within an FDM-printed confinement without visible leakage or shell collapse. Mechanical testing of hybrid linkage specimens further showed that localized casting can modify structural stiffness through selective reinforcement. These findings demonstrate that dispensing-based in situ casting can be integrated into FDM when thermal, temporal, and filling constraints are explicitly managed, and they provide practical process guidance for hybrid polymer fabrication involving confined casting during printing. Full article
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11 pages, 1765 KB  
Article
Lattice Thermal Conductivity of Janus WXY (X, Y = S, Se, Te) Monolayers: A Machine-Learning Based Study
by Shengxiang Liu, Jingfeng Wang, Zihe Li, Wenyan Jiao, Fuyun Lv and Huijun Liu
AI Mater. 2026, 1(1), 4; https://doi.org/10.3390/aimater1010004 - 21 Apr 2026
Viewed by 479
Abstract
Due to their unique structures, intriguing electronic properties, and potential applications across various fields, Janus materials have attracted extensive attention from the science community. However, the thermal transport properties of Janus systems are less known so far, especially regarding lattice thermal conductivity (LTC). [...] Read more.
Due to their unique structures, intriguing electronic properties, and potential applications across various fields, Janus materials have attracted extensive attention from the science community. However, the thermal transport properties of Janus systems are less known so far, especially regarding lattice thermal conductivity (LTC). In this work, we establish an accurate machine learning potential by which the phonon Boltzmann transport equation can be iteratively solved to readily predict the LTC of Janus WXY (X, Y = S, Se, Te) monolayers. It is found that the LTC for all three systems decreases monotonically with increasing temperature. Among them, the WTeSe monolayer exhibits the lowest LTC, which can be traced back to the competition between the contributions of phonon group velocity and relaxation time. Interestingly, we demonstrate that the effect of four phonon scattering plays an important role in accurately determining the LTC of these Janus monolayers. Our work also provides an alternative way of effectively predicting the LTC of systems with low symmetry and/or large size. Full article
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28 pages, 1552 KB  
Article
Coupled Electro-Thermal Modeling of the Temperature Field in an Aluminum Reduction Cell Using the Finite Difference Method
by I. M. Novozhilov, A. N. Ilyushina and K. V. Martirosyan
Processes 2026, 14(8), 1284; https://doi.org/10.3390/pr14081284 - 17 Apr 2026
Viewed by 549
Abstract
The energy-intensive nature of primary aluminum production necessitates advanced computational tools for process optimization. This study presents a coupled electro-thermal model of an aluminum reduction cell, developed within the framework of smart manufacturing. Using the finite difference method (FDM) implemented in MATLAB R2025b, [...] Read more.
The energy-intensive nature of primary aluminum production necessitates advanced computational tools for process optimization. This study presents a coupled electro-thermal model of an aluminum reduction cell, developed within the framework of smart manufacturing. Using the finite difference method (FDM) implemented in MATLAB R2025b, the model resolves the three-dimensional configuration of a cell with eight prebaked anodes across four distinct physical domains (electrolyte, anodes, cathode, and gas phase). The computational grid comprises approximately 45,000 nodes with refined vertical resolution (Δz = 0.025 m) in the interelectrode gap. The electrostatic solution converges within 150–200 iterations using successive over-relaxation (SOR, ω = 1.5), with a total runtime under 15 min for 30,000 s of simulated physical time on a standard desktop workstation. Simulation results reveal characteristic temperature profiles with maxima reaching 1150 °C and a thermal uniformity index of approximately 130 °C across the central cross-section. The predicted specific energy consumption of 14.0 MWh/t Al aligns with industrial benchmarks. This computationally accessible virtual testbed enables rapid assessment of design modifications and process parameters, supporting the goals of energy efficiency and enhanced operational stability in primary aluminum production. Full article
(This article belongs to the Topic Digital Manufacturing Technology)
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12 pages, 1520 KB  
Article
Influence of the Mechanical Damage and Static Prestress on the Thermal Quality Factor of Viscothermoelastic Micro-Resonators Based on the Dual-Phase-Lag Heat Conduction Model
by Hamdy M. Youssef
Mathematics 2026, 14(8), 1343; https://doi.org/10.3390/math14081343 - 16 Apr 2026
Viewed by 279
Abstract
Mechanical and thermal relaxation times are of utmost importance in determining the thermal quality of micro- and nano-resonators. The interplay between mechanical and thermal activity governs energy dissipation in these resonators. In a recent paper, an analytical thermal model was developed to incorporate [...] Read more.
Mechanical and thermal relaxation times are of utmost importance in determining the thermal quality of micro- and nano-resonators. The interplay between mechanical and thermal activity governs energy dissipation in these resonators. In a recent paper, an analytical thermal model was developed to incorporate mechanical and thermal relaxation times, thereby increasing the quality factor under mechanical damage, while accounting for static prestress in a micro-viscothermoelastic resonator. The effects of the relaxation time parameters and static prestress on the thermal quality factor have been addressed. This model assumes that static prestress can serve as a tuning knob for significant improvements in thermal efficiency variables. The mechanical and thermal relaxation times, isothermal frequency, and mechanical damage parameter have substantial effects on the resonator’s thermal quality factor. Full article
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