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Search Results (133)

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Keywords = volumetric heat capacity

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24 pages, 2458 KiB  
Review
Vapor Compression Refrigeration System for Aircrafts: Current Status, Large-Temperature-Range Challenges and Emerging Auto-Cascade Refrigeration Technologies
by Hainan Zhang, Qinghao Wu, Shuo Feng, Sujun Dong and Zanjun Gao
Aerospace 2025, 12(8), 681; https://doi.org/10.3390/aerospace12080681 - 30 Jul 2025
Viewed by 303
Abstract
Modern aircraft increasingly utilizes highly integrated electronic equipment, driving continuously increasing heat dissipation demands. Vapor compression refrigeration systems demonstrate stronger alignment with future aircraft thermal management trends, leveraging their superior volumetric cooling capacity, high energy efficiency, and independence from engine bleed air. This [...] Read more.
Modern aircraft increasingly utilizes highly integrated electronic equipment, driving continuously increasing heat dissipation demands. Vapor compression refrigeration systems demonstrate stronger alignment with future aircraft thermal management trends, leveraging their superior volumetric cooling capacity, high energy efficiency, and independence from engine bleed air. This paper reviews global research progress on aircraft vapor compression refrigeration systems, covering performance optimization, dynamic characteristics, control strategies, fault detection, and international development histories and typical applications. Analysis identifies emerging challenges under large-temperature-range cooling requirements, with comparative assessment establishing zeotropic mixture auto-cascade vapor compression refrigeration systems as the optimal forward-looking solution. Finally, recognizing current research gaps, we propose future research directions for onboard auto-cascade vapor compression refrigeration systems: optimizing refrigerant mixtures for flight conditions, achieving efficient gas-liquid separation during variable overloads and attitude conditions, and developing model predictive control with intelligent optimization to ensure reliability. Full article
(This article belongs to the Special Issue Aerospace Human–Machine and Environmental Control Engineering)
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28 pages, 9135 KiB  
Article
Performance Analysis of a Reciprocating Refrigeration Compressor Under Variable Operating Speeds
by Willian T. F. D. da Silva, Vitor M. Braga and Cesar J. Deschamps
Machines 2025, 13(7), 609; https://doi.org/10.3390/machines13070609 - 15 Jul 2025
Viewed by 323
Abstract
Variable-speed reciprocating compressors (VSRCs) have been increasingly used in domestic refrigeration due to their ability to modulate cooling capacity and reduce energy consumption. A detailed understanding of performance-limiting factors such as volumetric and exergetic inefficiencies is essential for optimizing their operation. An experimentally [...] Read more.
Variable-speed reciprocating compressors (VSRCs) have been increasingly used in domestic refrigeration due to their ability to modulate cooling capacity and reduce energy consumption. A detailed understanding of performance-limiting factors such as volumetric and exergetic inefficiencies is essential for optimizing their operation. An experimentally validated simulation model was developed using GT-SUITE to analyze a VSRC operating with R-600a across speeds from 1800 to 6300 rpm. Volumetric inefficiencies were quantified using a stratification methodology, while an exergy-based approach was adopted to assess the main sources of thermodynamic inefficiency in the compressor. Unlike traditional energy analysis, exergy analysis reveals where and why irreversibilities occur, linking them directly to power consumption and providing a framework for optimizing design. Results reveal that neither volumetric nor exergy efficiency varies monotonically with compressor speed. At low speeds, exergetic losses are dominated by the electrical motor (up to 19% of input power) and heat transfer (up to 13.5%). Conversely, at high speeds, irreversibilities from fluid dynamics become critical, with losses from discharge valve throttling reaching 5.8% and bearing friction increasing to 6.5%. Additionally, key volumetric inefficiencies arise from piston–cylinder leakage, which causes up to a 4.5% loss at low speeds, and discharge valve backflow, causing over a 5% loss at certain resonant speeds. The results reveal complex speed-dependent interactions between dynamic and thermodynamic loss mechanisms in VSRCs. The integrated modeling approach offers a robust framework for diagnosing inefficiencies and supports the development of more energy-efficient compressor designs. Full article
(This article belongs to the Special Issue Theoretical and Experimental Study on Compressor Performance)
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18 pages, 4189 KiB  
Article
Cross-Scale Simulation Study of Porous Medium Heat Exchangers Based on Reliable Cell Selection
by Yiqiang Liang, Jun Zhang, Yu Liu, Mingrui Sun and Yongchen Song
Energies 2025, 18(13), 3510; https://doi.org/10.3390/en18133510 - 3 Jul 2025
Viewed by 329
Abstract
This study compares the heat transfer and pressure drop of three cell structures, namely Kelvin cells (KCs), ellipsoidal Kelvin cells (EKCs), and body-centered cubic (BCC) structures, at the cell scale in order to identify the superior configuration. Then, we conducted numerical simulations on [...] Read more.
This study compares the heat transfer and pressure drop of three cell structures, namely Kelvin cells (KCs), ellipsoidal Kelvin cells (EKCs), and body-centered cubic (BCC) structures, at the cell scale in order to identify the superior configuration. Then, we conducted numerical simulations on the heat exchangers based on porous media, and evaluate their comprehensive performance. It is shown that KCs have a superior heat transfer. Their volumetric heat transfer coefficient (hV) is more than 50% higher than that of EKCs and more than 100% higher than that of BCC structures. EKCs exhibit a lower pressure drop. In the heat exchanger performance optimization study, the Kelvin structure demonstrated significant heat transfer characteristics. Simulation data show that the heat transfer performance at the hot end of the Kelvin heat exchanger (KCHE) is enhanced by more than 40% compared to the conventional plate-fin structure (FHE), but its flow channel pressure drop characteristics show a significant nonlinear increase. It is noteworthy that the improved Kelvin heat exchanger (EKCHE), optimized by introducing elliptic cell topology, maintains heat transfer while keeping the pressure loss increase within 1.22 times that of the conventional structure. The evaluation of the heat transfer and pressure drop characteristics is consistent for both scales. In addition, the EKC configuration exhibits a superior overall heat transfer capacity. To summarize, this work proposes a systematic numerical framework encompassing cell unit screening through heat exchanger design, offering valuable guidance for the structured development and analysis of porous media heat exchangers in relevant engineering domains. Full article
(This article belongs to the Collection Advances in Heat Transfer Enhancement)
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22 pages, 2370 KiB  
Article
Effects of Land Use Conversion from Upland Field to Paddy Field on Soil Temperature Dynamics and Heat Transfer Processes
by Jun Yi, Mengyi Xu, Qian Ren, Hailin Zhang, Muxing Liu, Yuanhang Fei, Shenglong Li, Hanjiang Nie, Qi Li, Xin Ni and Yongsheng Wang
Land 2025, 14(7), 1352; https://doi.org/10.3390/land14071352 - 26 Jun 2025
Viewed by 356
Abstract
Investigating soil temperature and the heat transfer process is essential for understanding water–heat changes and energy balance in farmland. The conversion from upland fields (UFs) to paddy fields (PFs) alters the land cover, irrigation regimes, and soil properties, leading to differences in soil [...] Read more.
Investigating soil temperature and the heat transfer process is essential for understanding water–heat changes and energy balance in farmland. The conversion from upland fields (UFs) to paddy fields (PFs) alters the land cover, irrigation regimes, and soil properties, leading to differences in soil temperature, thermal properties, and heat fluxes. Our study aimed to quantify the effects of converting UFs to PFs on soil temperature and heat transfer processes, and to elucidate its underlying mechanisms. A long-term cultivated UF and a newly developed PF (converted from a UF in May 2015) were selected for this study. Soil water content (SWC) and temperature were monitored hourly over two years (June 2017 to June 2019) in five soil horizons (i.e., 10, 20, 40, 60, and 90 cm) at both fields. The mean soil temperature differences between the UF and PF at each depth on the annual scale varied from −0.1 to 0.4 °C, while they fluctuated more significantly on the seasonal (−0.9~1.8 °C), monthly (−1.5~2.5 °C), daily (−5.6~4.9 °C), and hourly (−7.3~11.3 °C) scales. The SWC in the PF was significantly higher than that in the UF, primarily due to differences in tillage practices, which resulted in a narrower range of soil temperature variation in the PF. Additionally, the SWC and soil physicochemical properties significantly altered the soil’s thermal properties. Compared with the UF, the volumetric heat capacity (Cs) at the depths of 10, 20, 40, 60, and 90 cm in the PF changed by 8.6%, 19.0%, 5.5%, −4.3%, and −2.9%, respectively. Meanwhile, the thermal conductivity (λθ) increased by 1.5%, 18.3%, 19.0%, 9.0%, and 25.6%, respectively. Moreover, after conversion from the UF to the PF, the heat transfer direction changed from downward to upward in the 10–20 cm soil layer, resulting in a 42.9% reduction in the annual average soil heat flux (G). Furthermore, the differences in G between the UF and PF were most significant in the summer (101.9%) and most minor in the winter (12.2%), respectively. The conversion of the UF to the PF increased the Cs and λθ, ultimately reducing the range of soil temperature variation and changing the direction of heat transfer, which led to more heat release from the soil. This study reveals the effects of farmland use type conversion on regional land surface energy balance, providing theoretical underpinnings for optimizing agricultural ecosystem management. Full article
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17 pages, 1848 KiB  
Article
Overcoming Uncertainties Associated with Local Thermal Response Functions in Vertical Ground Heat Exchangers
by Alejandro J. Extremera-Jiménez, Pedro J. Casanova-Peláez, Charles Yousif and Fernando Cruz-Peragón
Sustainability 2025, 17(12), 5509; https://doi.org/10.3390/su17125509 - 15 Jun 2025
Viewed by 943
Abstract
The short-term performance of ground heat exchangers (GHEs) is crucial for the optimal design of ground-source heat pumps (GSHPs), enhancing their contribution to sustainable energy solutions. Local short-time thermal response functions, or short-time g-functions (STGFs) derived from thermal response tests (TRTs), are of [...] Read more.
The short-term performance of ground heat exchangers (GHEs) is crucial for the optimal design of ground-source heat pumps (GSHPs), enhancing their contribution to sustainable energy solutions. Local short-time thermal response functions, or short-time g-functions (STGFs) derived from thermal response tests (TRTs), are of great interest for predicting the heat exchange due to their fast and simple applicability. The aim of this work is to perform a sensitivity analysis to assess the impact of thermal parameter variability and TRT operating conditions on the accuracy of the average fluid temperature (Tf) predictions obtained through a local STGF. First, the uncertainties associated with the borehole thermal resistance (Rb), transmitted from the soil volumetric heat capacity (CS) or some models dependent on GHE characteristics, such as the Zeng model, were found to have a low impact in Tf resulting in long-term deviations of ±0.2 K. Second, several TRTs were carried out on the same borehole, changing input parameters such as the volumetric flow rate and heat injection rate, in order to obtain their corresponding STGF. Validation results showed that each Tf profile consistently aligned well with experimental data when applying intermittent heat rate pulses (being the most unfavorable scenario), implying deviations of ±0.2 K, despite the variabilities in soil conductivity (λS), soil volumetric heat capacity (CS), and borehole thermal resistance (Rb). Full article
(This article belongs to the Special Issue Ground Source Heat Pump and Renewable Energy Hybridization)
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14 pages, 2105 KiB  
Article
Dynamic Simulations of Phase-Change Emulsions in Cooling Systems
by Yuting Wang, Jingjing Shao, Jo Darkwa and Georgios Kokogiannakis
Buildings 2025, 15(11), 1873; https://doi.org/10.3390/buildings15111873 - 29 May 2025
Viewed by 356
Abstract
The application of phase change material emulsions (PCMEs) in heating, ventilation, and air conditioning (HVAC) systems is considered to be a potential way of saving energy due to their relatively higher energy storage capacity compared with water. They are now widely used as [...] Read more.
The application of phase change material emulsions (PCMEs) in heating, ventilation, and air conditioning (HVAC) systems is considered to be a potential way of saving energy due to their relatively higher energy storage capacity compared with water. They are now widely used as a heat transfer media, so they are able to reduce the flow rate whilst delivering the same amount of cooling energy. In order to evaluate the energy-saving potential of the integrated PCME air conditioning system, whole-building energy simulation was carried out with the building simulation code TRNSYS. Before simulating the whole system, a mathematical model for a PCME-integrated fan coil unit was first developed and validated. A phase change material emulsion called PCE-10 was used, and the TRNSYS simulation showed that the required volumetric flow rate of phase change material emulsions was 50% less than that of water when providing the same cooling effect, which could contribute to a 7% reduction in total energy consumption. Full article
(This article belongs to the Section Building Materials, and Repair & Renovation)
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20 pages, 2596 KiB  
Article
Adsorption Equilibria and Systematic Thermodynamics Analysis of Carbon Dioxide Sequestration on South African Coals Using Nonlinear Three-Parameter Models: Sips, Tóth, and Dubinin–Astakhov
by Major Melusi Mabuza and Mandlenkosi George Robert Mahlobo
Energies 2025, 18(10), 2646; https://doi.org/10.3390/en18102646 - 20 May 2025
Viewed by 698
Abstract
Carbon dioxide (CO2) injection into geologic formations has gained global traction, including in South Africa, to mitigate anthropogenic emissions through carbon capture, utilisation, and storage technology. These technological and technical developments require a comprehensive and reliable study of CO2 sorption [...] Read more.
Carbon dioxide (CO2) injection into geologic formations has gained global traction, including in South Africa, to mitigate anthropogenic emissions through carbon capture, utilisation, and storage technology. These technological and technical developments require a comprehensive and reliable study of CO2 sorption equilibria under in situ unmineable coal reservoir conditions. This paper presents novel findings on the study of the equilibrium adsorption of CO2 on two South African coals measured at four temperatures between 30 and 60 °C and pressures up to 9.0 MPa using the volumetric technique. Additionally, the sorption mechanism and thermodynamic nature of the process were studied by fitting the experimental data into Langmuir–Freundlich (Sips), Tóth, and Dubinin–Astakhov (DA) isotherm models, and the Clausius–Clapeyron equation. The findings indicate that the sorption process is highly exothermic, as presented by a negative temperature effect, with the maximum working capacity estimated to range between 3.46 and 4.16 mmol/g, which is also rank- and maceral composition-dependent, with high-rank vitrinite-rich coal yielding more sorption capacity than low-rank inertinite-rich coal. The experimental data fit well in Sips and Tóth models, confirming their applicability in describing the CO2 sorption behaviour of the coals under the considered conditions. The isosteric heat of adsorption varied from 7.518 to 37.408 kJ/mol for adsorbate loading ranging from 0.4 to 3.6 mmol/g. Overall, the coals studied demonstrate well-developed sorption properties that characteristically make them viable candidates for CO2 sequestration applications for environmental sustainability. Full article
(This article belongs to the Special Issue CO2 Capture, Utilization and Storage)
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12 pages, 3211 KiB  
Article
Mathematical Model for Quantitative Estimation of Thermophysical Properties of Flat Samples of Potatoes by Active Thermography at Varying Boundary Layer Conditions
by Pavel Balabanov, Andrey Egorov, Alexander Divin and Alexander N. Pchelintsev
Computation 2025, 13(5), 117; https://doi.org/10.3390/computation13050117 - 12 May 2025
Viewed by 321
Abstract
This article proposes a mathematical model for experimental estimation of the volumetric heat capacity and thermal conductivity of flat samples, in particular samples cut from potato tubers. The method involved using two pairs of samples, each of which includes the test sample and [...] Read more.
This article proposes a mathematical model for experimental estimation of the volumetric heat capacity and thermal conductivity of flat samples, in particular samples cut from potato tubers. The method involved using two pairs of samples, each of which includes the test sample and a reference sample. The pairs of samples were pre-cooled in a refrigerator to a temperature that was 10 to 15 °C below room temperature. Then, the samples were removed from the refrigerator and placed in an air thermostat at ambient temperature, with one pair of samples additionally blown with a weak air flow. Using a thermal imager, the surface temperatures of the samples were recorded. The temperature measurement results were processed using the proposed mathematical models. The temperature measurement results of the reference samples were used to determine the Bi numbers characterizing the heat exchange conditions on the surfaces of the test samples. Taking into account the found Bi values, the volumetric heat capacity and thermal conductivity were calculated using the formulas described in the article. The article also presents a diagram of the measuring device and a method for processing experimental data using the results of experiments as an example, where potato samples were used as the test samples, and polymethyl methacrylate samples were used as the reference samples. The studies were conducted at an ambient air temperature of 20 to 24 °C and at a Bi < 0.3. The specific heat capacity of the potato samples was in the range of 2120–3795 J/(kg·K), and the thermal conductivity was in the range of 0.17–0.5 W/(m·K) with a moisture content of 10–60%. Full article
(This article belongs to the Special Issue Mathematical Modeling and Study of Nonlinear Dynamic Processes)
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25 pages, 17509 KiB  
Article
Development and Application of a Sensitivity and Uncertainty Analysis Framework for Safety Analysis of Molten Salt Reactors
by Haijun Liu, Rui Li, Xiandi Zuo, Maosong Cheng, Shichao Chen and Zhimin Dai
Energies 2025, 18(9), 2179; https://doi.org/10.3390/en18092179 - 24 Apr 2025
Viewed by 436
Abstract
To provide reliable safety margins in reactor design and safety analysis, the best estimate plus uncertainty (BEPU) analysis, which is recommended by the International Atomic Energy Agency (IAEA), has drawn increasing attention worldwide. In order to systematically evaluate the sensitivity and uncertainty in [...] Read more.
To provide reliable safety margins in reactor design and safety analysis, the best estimate plus uncertainty (BEPU) analysis, which is recommended by the International Atomic Energy Agency (IAEA), has drawn increasing attention worldwide. In order to systematically evaluate the sensitivity and uncertainty in the design and safety analysis of molten salt reactors (MSRs), a sensitivity and uncertainty analysis framework has been developed by integrating the reactor system safety analysis code RELAP5-TMSR with the data analysis code RAVEN. The framework is tested using the transient scenarios of the molten salt reactor experiment (MSRE): reactivity insertion accident (RIA) and station blackout (SBO). The testing results demonstrate that the proposed framework effectively conducts sensitivity and uncertainty analysis. Sensitivity analyses identify key input parameters, including the primary exchanger parameters, air radiator parameters, initial temperatures, delayed neutron parameters and volumetric heat capacity of the INOR-8 alloy. Uncertainty quantification provides 95% confidence intervals for the figures of merit (FOMs) and the steady-state and RIA scenarios remained within safety limits. The developed framework enables automated, efficient, and high-capacity sensitivity and uncertainty analysis across multiple parameters and transient scenarios. The systematic analysis provides sensitivity indicators and uncertainty distributions, offering quantitative insights into the safety margins and supporting the design and safety analysis of MSRs. Full article
(This article belongs to the Special Issue Advances in Nuclear Power Plants and Nuclear Safety)
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26 pages, 9653 KiB  
Article
Numerical Simulation of Frost Heave and Thaw Settlement Characteristics in a Complex Pipe–Soil System in the Seasonally Frozen Ground
by Qinglin Li, Pengrui Feng, Rui Wang, Ni An, Ruiguang Bai, Guang Yang, Xinlin He, Ping Lin and Zixu Hu
Appl. Sci. 2025, 15(9), 4628; https://doi.org/10.3390/app15094628 - 22 Apr 2025
Cited by 1 | Viewed by 499
Abstract
This paper investigates the frost heave and thaw settlement characteristics of the pipe–soil system during the freeze–thaw cycle, along with the underlying mechanisms. A numerical simulation platform for the complex pipe–soil system was developed using the heat conduction equation, moisture migration equation, and [...] Read more.
This paper investigates the frost heave and thaw settlement characteristics of the pipe–soil system during the freeze–thaw cycle, along with the underlying mechanisms. A numerical simulation platform for the complex pipe–soil system was developed using the heat conduction equation, moisture migration equation, and stress–strain equation, all of which account for the ice–water phase change process. The simulations were performed with the coefficient-type partial differential equation (PDE) module in COMSOL Multiphysics. By employing coupled thermal–hydraulic–mechanical (THM) simulation methods, the study analyzed the changes in volumetric water content, volumetric ice content, moisture migration patterns, and temperature field distribution of a water pipeline after three years of service under real engineering conditions in the cold region of northern Xinjiang, China. The study also examined the effects of parameters such as pipeline burial depth, specific heat capacity, thermal conductivity, permeability of saturated soil, and initial saturation on the displacement field. The results show that selecting soil layers with high specific heat capacity (e.g., 1.68 kJ/kg·°C) and materials with high thermal conductivity (e.g., 2.25 W/m·°C) can reduce surface frost heave displacement by up to 40.8% compared to low-conductivity conditions. The maximum freezing depth near the pipeline is limited to 0.87 m due to the thermal buffering effect of water flow. This research provides a scientific reference and theoretical foundation for the design of frost heave resistance in water pipelines in seasonally frozen regions. Full article
(This article belongs to the Section Civil Engineering)
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21 pages, 7270 KiB  
Article
Overcoming Power Limitations of Electric Heating in a Solar Salt Thermal Storage by Microwave Heating
by Roberto Grena, Mattia Cagnoli, Roberto Zanino and Michela Lanchi
Energies 2025, 18(8), 2059; https://doi.org/10.3390/en18082059 - 17 Apr 2025
Viewed by 452
Abstract
The expected increase in energy production from VRE (Variable Renewable Energy) requires a significant increase in energy storage capacity, with thermal storage potentially offering a key contribution. However, heat transfer mechanisms can limit the maximum power instantaneously transferable to the storage medium, posing [...] Read more.
The expected increase in energy production from VRE (Variable Renewable Energy) requires a significant increase in energy storage capacity, with thermal storage potentially offering a key contribution. However, heat transfer mechanisms can limit the maximum power instantaneously transferable to the storage medium, posing a significant operational challenge. An analysis is presented here of the power limitations that arise when molten salt thermal storage adopting Solar Salt (NaNO3/KNO3, 60/40%wt) is heated by electrical resistances (Joule heating), and a possible alternative—the volumetric heating of the salt mass by microwaves—is discussed. Results show that microwave heating is an interesting path to overcome the power limitations of Joule heating. A first, theoretical analysis indicates a potential increase of more than 10 times in the maximum power transferable per unit area. Thermal-fluid-dynamic and electromagnetic models have been developed to numerically test the performance of a one-tank thermocline system endowed with a microwave heater. The proposed heating system showed limitations in terms of the maximum power that can be transferred to the salt because of the high temperatures established in the boundary layer. Finally, it performs in a comparable way with respect to an (ideal) heating system based on the Joule effect. However, many design improvements can still be adopted to enhance the performance of the proposed technology, likely overcoming the performance reachable using Joule heating systems. Full article
(This article belongs to the Special Issue Advanced Solar Technologies and Thermal Energy Storage)
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32 pages, 9579 KiB  
Article
DFT Study of Au3In and Au3In2 Intermetallic Compounds: Structural Stability, Fracture Toughness, Anisotropic Elasticity, and Thermophysical Properties for Advanced Applications
by Ching-Feng Yu and Yang-Lun Liu
Materials 2025, 18(7), 1561; https://doi.org/10.3390/ma18071561 - 29 Mar 2025
Cited by 2 | Viewed by 607
Abstract
This study systematically explores the structural stability, mechanical properties, elastic anisotropy, fracture toughness, and thermophysical characteristics of Au3In and Au3In2 intermetallic compounds (IMCs) through density functional theory (DFT) simulations. Employing the generalized gradient approximation (GGA) and the Voigt–Reuss–Hill [...] Read more.
This study systematically explores the structural stability, mechanical properties, elastic anisotropy, fracture toughness, and thermophysical characteristics of Au3In and Au3In2 intermetallic compounds (IMCs) through density functional theory (DFT) simulations. Employing the generalized gradient approximation (GGA) and the Voigt–Reuss–Hill approximation enables precise predictions of polycrystalline elastic behavior, providing critical insights into the intrinsic stability and mechanical anisotropy of these IMCs. Structural optimization identifies the equilibrium lattice parameters and cohesive energies, indicating stronger atomic bonding and superior structural stability in Au3In relative to Au3In2. Elastic constant calculations confirm mechanical stability and reveal pronounced anisotropic elastic behavior; Au3In exhibits significant stiffness along the [010] crystallographic direction, while Au3In2 demonstrates notable stiffness predominantly along the [001] direction. Both Au3In and Au3In2 exhibit ductile characteristics, confirmed by positive Cauchy pressures and elevated bulk-to-shear modulus (K/G) ratios. Fracture toughness analysis further establishes that Au3In offers greater resistance to crack propagation compared to Au3In2, suggesting its suitability in mechanically demanding applications. Thermophysical property evaluations demonstrate that Au3In possesses higher thermal conductivity, elevated Debye temperature, and superior volumetric heat capacity relative to Au3In2, reflecting its enhanced capability for effective thermal management in electronic packaging. Anisotropy assessments, utilizing both universal and Zener anisotropy indices, reveal significantly higher mechanical anisotropy in Au3In2, influencing its practical applicability. Full article
(This article belongs to the Special Issue Physical Metallurgy of Metals and Alloys (3rd Edition))
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28 pages, 11152 KiB  
Article
In-Depth DFT-Based Analysis of the Structural, Mechanical, Thermodynamic, and Electronic Characteristics of CuP2 and Cu3P: Insights into Material Stability and Performance
by Ching-Feng Yu and Hsien-Chie Cheng
Metals 2025, 15(4), 369; https://doi.org/10.3390/met15040369 - 27 Mar 2025
Cited by 1 | Viewed by 613
Abstract
This study employed density functional theory (DFT) to investigate the structural, mechanical, thermodynamic, and electronic properties of monoclinic CuP2 and hexagonal Cu3P. The analysis confirmed the mechanical stability of both compounds, with distinct anisotropic behaviors arising from crystallographic symmetries. Cu [...] Read more.
This study employed density functional theory (DFT) to investigate the structural, mechanical, thermodynamic, and electronic properties of monoclinic CuP2 and hexagonal Cu3P. The analysis confirmed the mechanical stability of both compounds, with distinct anisotropic behaviors arising from crystallographic symmetries. Cu3P exhibits a higher bulk modulus (130.1 GPa), indicating superior resistance to volumetric compression, while CuP2 demonstrates greater shear (52.9 GPa) and Young’s moduli (133.3 GPa), reflecting enhanced stiffness and tensile resistance. The K/G ratio (1.749 for CuP2 vs. 3.120 for Cu3P) and Cauchy pressure analyses revealed the brittle nature of CuP2, with covalent bonding, and the ductility of Cu3P, with metallic bonding. The thermodynamic evaluations highlighted the higher Debye temperature of CuP2 (453.1 K) and its lattice thermal conductivity (8.37 W/mK), suggesting superior heat dissipation, whereas Cu3P shows greater thermal expansion (38.4 × 10−6/K) and a higher volumetric heat capacity (3.29 × 106 J/m3K). The electronic structure calculations identified CuP2 as a semiconductor with a 0.824 eV bandgap and Cu3P as a conductor with metallic states at the Fermi level. These insights are critical for optimizing Cu-P compounds in microelectronic packaging, where thermal management and mechanical reliability are paramount. Full article
(This article belongs to the Special Issue Properties, Microstructure and Forming of Intermetallics)
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10 pages, 5309 KiB  
Article
Photo-Induced Hydrogen Production from Formic Acid Using a Palladium Catalyst
by Tarek M. Abdel-Fattah, Erik Biehler, Michelle A. Smeaton, Thomas Gennett and Noemi Leick
Catalysts 2025, 15(3), 213; https://doi.org/10.3390/catal15030213 - 24 Feb 2025
Viewed by 969
Abstract
Liquid organic hydrogen carriers (LOHCs) are recognized as promising sustainable hydrogen (H2) carriers due to their high volumetric capacity and ability to store H2 at ambient conditions, eliminating the need for energy-intensive liquefaction or compression processes associated with H2 [...] Read more.
Liquid organic hydrogen carriers (LOHCs) are recognized as promising sustainable hydrogen (H2) carriers due to their high volumetric capacity and ability to store H2 at ambient conditions, eliminating the need for energy-intensive liquefaction or compression processes associated with H2 or ammonia gas. One of the main current drawbacks, however, is LOHCs’ high energy demand for H2 release. This work presents the photo-induced liberation of H2 from formic acid (FA) as a liquid H2 carrier, using visible light and well-established 5 wt% palladium nanoparticles supported over carbon (Pd/C). We show that low-power light-emitting diodes (LEDs) produced higher gas flow than their thermal baseline (35 °C), with 27.2 mL/min and 7.72 mL/min, respectively. Further, the rate of gas evolved with light intensity, catalyst loading, and the concentration of FA. Light-induced dehydrogenation shows similar deactivation as the known thermal mechanisms, such as the decreased Pd2+/Pd0 ratio and Pd nanoparticle agglomeration. Hence, these observations suggest a photothermal mechanism, whereby the LED provides heat efficiently absorbed by the Pd/C catalyst and enhanced by Pd’s ability to absorb light, thereby driving the FA dehydrogenation reaction at ambient conditions. Full article
(This article belongs to the Special Issue Novel Catalytic Materials for Hydrogen Storage and Generation)
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19 pages, 3322 KiB  
Article
Thermal, Hygrothermal, Mechanical and Environmental Study of Stabilized Earth with GGBS-Based Binders
by Arthur Lam, Rabah Hamzaoui, Andrea Kindinis, Rachida Idir, Séverine Lamberet and Stéphane Patrix
Buildings 2025, 15(4), 594; https://doi.org/10.3390/buildings15040594 - 14 Feb 2025
Viewed by 646
Abstract
Earth materials are recognized for their excellent thermal and hygrothermal properties but exhibit low mechanical resistance. Binder stabilization improves compressive strength but often increases the carbon footprint. This study evaluates the mechanical, thermal, hygrothermal, and environmental properties of 12 stabilized earth concrete formulations. [...] Read more.
Earth materials are recognized for their excellent thermal and hygrothermal properties but exhibit low mechanical resistance. Binder stabilization improves compressive strength but often increases the carbon footprint. This study evaluates the mechanical, thermal, hygrothermal, and environmental properties of 12 stabilized earth concrete formulations. The samples were prepared using four types of excavated earths (A, B, C, and D) with varying granular distributions and chemical compositions, stabilized with three industrial binders: two low-carbon activated GGBS-based binders (LN and LW) and a CEM II cement. The samples were cured at 20 °C and 100% relative humidity. Density, porosity, thermal conductivity, specific heat capacity, and Moisture Buffer Value (MBV) were measured at 28 days of curing, using standard methods from concrete and geotechnical fields, while compressive strength tests were performed at 7, 28, and 90 days. The results revealed that gravel-rich earths (A and B) demonstrated higher densities and compressive strengths compared to fine-rich earths (C and D). GGBS-stabilized earths exhibited superior mechanical performance (1.7–14.8 MPa) compared to cement-stabilized earths (0.8–3.8 MPa). Despite low binder content (7%), thermal and hygrothermal properties were largely influenced by the earth’s composition. Thermal conductivity (0.48–0.59 W·m−1·K−1), volumetric heat capacity (1661–2031 J·m−3·K−1), and MBV (0.9–1.9 g·m−2·%RH−1) were consistent with raw earth values, supporting thermal inertia and humidity regulation. The carbon footprint analysis showed that both LN and LW binders had the lowest emissions (29–34 kg CO2·eq/m3), with LN binders demonstrating consistent normalized performance (5.2–6.2 kg CO2·eq/m3·/MPa) and LW binders exhibiting superior mechanical performance and a lower normalized indicator (2.3–5.4 kg CO2·eq/m3/MPa). Conversely, CEM II-stabilized formulations displayed the highest emissions (70–86 kg CO2·eq/m3) and the least favorable compressive strength-to-carbon ratios. These findings emphasize the potential of stabilized earth concretes, particularly those with low-carbon GGBS binders, for sustainable and energy-efficient construction practices. Full article
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