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The thermal conductivity of glasses is well-known to be significantly harder to theoretically describe compared to crystalline materials. Because of this fact, the fundamental understanding of thermal conductivity in glasses remain extremely poor when moving beyond the case of simple glasses, e.g., glassy SiO2, and into so-called "modified" oxide glasses, that is, glasses where other oxides (e.g., alkali oxides) have been added to break up the network and alter, e.g., elastic and thermal properties. This lack of knowledge is apparent despite how modified glasses comprise the far majority of known glasses. In the present work, we study an archetypical series of sodium silicate [xNa2O–(100 − x)SiO2] glasses. Analyses of modal contributions reveal how increasing Na2O content induces increasing vibrational localization with a change of vibrations to be less ordered and a related general decrease in modal contributions to thermal conductivity. We find the vibrational phases (acoustic vs optical) of sodium vibrations to be relatively disordered compared to the network-forming silicon and oxygen species, explaining how increasing Na2O content decreases thermal conductivity. Our work sheds new light on the fundamentals of glassy heat transfer as well as the interplay between thermal conduction and modal characteristics in glasses. [ABSTRACT FROM AUTHOR]

The dynamics of residual stress (RS) within glass-to-metal (GTM) seals play a crucial role in their operational efficacy, with the progression of RS in response to temperature variations being a critical aspect in engineering applications. This research utilizes fiber Bragg grating sensors and temperature-calibrated photoluminescence spectroscopy techniques for the in situ monitoring of RS changes within GTM seals during heating. Initially, the glass body exhibited a compressive stress of −203 MPa, while the stress in the glass close to the interface was −367 MPa at room temperature. With increasing temperature, RS within both the glass body and in the glass close to the interface transitions through three distinct phases: a near-linear decrease, a rapid decrease, and a shift from compressive to tensile stress. By 540 °C, tensile stresses of approximately 11 MPa within the glass body and 36 MPa in the glass close to the interface were observed. The study elucidates that RS evolution is intricately linked not only to the thermal expansion properties of the constituent materials but also to the β-relaxation phenomenon within the glass structure and the presence of an oxide layer at the interface. Finite-element analysis simulations were conducted to corroborate the experimental findings, illustrating a congruent RS evolution pattern and delineating the transition from a compressive to a tensile state. This investigation provides empirical data and analytical insights concerning the management of RS in GTM seals, underscoring the significance of RS control in maintaining seal integrity. [ABSTRACT FROM AUTHOR]

Flexible electronic devices with skin-like properties are hailed as revolutionary for the development of next-generation electronic devices, such as electric-skin and humanoid robotics. Graphene is intrinsically flexible due to its structural thinness in nature and are considered next-generation materials for wearable electronics. These devices usually experience a large mechanical deformation in use so as to achieve intimate conformal contact with human skin and to coordinate complex human motions, while heat dissipation has been a major limitation when the device is under a large mechanical strain. Unlike the small deformation (<1%) induced by intrinsic material factors such as lattice mismatch between material components in devices, a large mechanical deformation (>1%) by an external loading condition could lead to apparent changes to global geometric shapes and significantly impact thermal transport. In this study, we investigated the thermal conductivities of graphene under several large mechanical strains: 2.9%, 4.3%, and 6.1%. We used a refined opto-thermal Raman technique to characterize the thermal transport properties and discovered the thermal conductivities to be 2092 ± 502, 972 ± 87, 348 ± 52, and 97 ± 13 W/(m K) for the relaxed state, 2.9%, 4.3%, and 6.1% tensile strain, respectively. Our results showed a significant decreasing trend in thermal conductivities with an increasing mechanical strain. The findings in this study reveal new thermal transport mechanisms in 2D materials and shed light on building novel flexible nanoelectronic devices with enhanced thermal management. [ABSTRACT FROM AUTHOR]

An accurate and efficient heat bath method plays a key role in atomic simulations of the thermal and mechanical properties of single-crystal silicon. Here, focusing on the single-crystal silicon (111) layer, which is a crucial lattice structure commonly employed as a substrate for chips, we propose a heat jet approach for finite temperature atomic simulations of silicon layers. First, we formulate the linearized dynamic equations for the silicon atoms and calculate the dispersion relation and lattice wave solutions. Then, an appropriate matching boundary condition is chosen for designing the two-way boundary condition, which allows incoming waves to inject into the lattice system while eliminating boundary reflections. Combining the two-way boundary condition and phonon heat source, the heat jet approach for the silicon (111) layer is proposed. Numerical tests illustrate the accuracy and effectiveness of the heat jet approach in simultaneously resolving thermal fluctuations and controlling temperature. Furthermore, we simulate the propagation of a Gaussian hump at a given temperature with the heat jet approach compared to the Nosé–Hoover heat bath. Numerical results demonstrate that the heat jet approach can well describe the movement of large structural deformations among thermal fluctuations without boundary reflections. [ABSTRACT FROM AUTHOR]

Bond line thickness (BLT) is an essential parameter of thermal conductive composite gels as the thermal interface material (TIM). Extensive research has been performed on designing next-generation TIMs with high thermal conductivity; however, it remains elusive how to link laboratory measurements and the theoretically predicted BLT. Here, we propose a new model to estimate BLT based on a rheological property, in which the TIM is assumed to be a simple power law fluid. To avoid the unrealistic situation of the BLT tending to zero, we introduce a decaying exponential function to describe the influence from fillers during the lid attach process and rebuild the force balance equation. Compared with previously reported models, the theoretical prediction BLT based on the proposed model is in good agreement with the experimental data. Our model has a guiding significance in predicting the BLT, which may help to optimize the thermal performance of TIMs. [ABSTRACT FROM AUTHOR]

The two-dimensional laser-based Ångstrom method measures the in-plane thermal properties for anisotropic film-like materials. It involves periodic laser heating at the center of a suspended film sample and records its transient thermal response by infrared imaging. These spatiotemporal temperature data must be analyzed to extract the unknown thermal conductivity values in the orthotropic directions, an inverse parameter fitting problem. Previous demonstration of the metrology technique used a least-squares fitting method that relies on numerical differentiation to evaluate the second-order partial derivatives in the differential equation describing transient conduction in the physical system. This fitting approach is susceptible to measurement noise, introducing high uncertainty in the extracted properties when working with noisy data. For example, when noise of a signal-to-noise ratio of 10 is added to simulated amplitude and phase data, the error in the extracted thermal conductivity can exceed 80%. In this work, we introduce a new alternative inverse parameter fitting approach using physics-informed neural networks (PINNs) to increase the robustness of the measurement technique for noisy temperature data. We demonstrate the effectiveness of this approach even for scenarios with extreme levels of noise in the data. Specifically, the PINN-approach accurately extracts the properties to within 5% of the true values even for high noise levels (a signal-to-noise ratio of 1). This offers a promising avenue for improving the robustness and accuracy of advanced thermal metrology tools that rely on inverse parameter fitting of temperature data to extract thermal properties. [ABSTRACT FROM AUTHOR]

Cobalt oxides are known for their excellent heat transfer properties. The main component of cobalt oxides is the CoO2 monolayer, which exhibits high-temperature superconductivity caused by strong electron–phonon coupling (EPC). We here systematically investigate the structural stability, electronic structure, and magnetism of the CoO2 monolayer using first-principles and Monte Carlo simulations. On this basis, we further study the changes in the spin energy gap, magnetic axis direction, and other properties of the CoO2 monolayer with the changes in carrier concentration. By appropriately doping the CoO2 monolayer with holes, the magnetic axis direction of the CoO2 monolayer can be reversed, thereby enhancing its potential application in the field of spin electronic devices. Monte Carlo simulation is used to study the regulation of different factors on the magnetothermal properties of the CoO2 monolayer. Through the analysis of physical parameters such as Curie temperature (TC) and bandgap, we find that the appropriate carrier concentration and magnetic field can not only regulate the magnetothermal properties of materials but also further improve the efficiency of materials in low-temperature environments. [ABSTRACT FROM AUTHOR]

Thermal transport plays a pivotal role across diverse disciplines, yet the intricate relationship between amorphous network structures and thermal conductance properties remains elusive due to the absence of a reliable and comprehensive network's dataset to be investigated. In this study, we have created a dataset comprising multiple amorphous network structures of varying sizes, generated through a combination of the node disturbance method and Delaunay triangulation, to fine-tune an initially random network toward both increased and decreased thermal conductance C. The tuning process is guided by the simulated annealing algorithm. Our findings unveil that C is inversely dependent on the normalized average shortest distance L n o r m connecting heat source nodes and sink nodes, which is determined by the network topological structure. Intuitively, the amorphous network with increased C is associated with an increased number of bonds oriented along the thermal transport direction, which shortens the heat transfer distance from the source to sink node. Conversely, thermal transport encounters impedance with an augmented number of bonds oriented perpendicular to the thermal transport direction, which is demonstrated by the increased L n o r m . This relationship can be described by a power law C = L n o r m α , applicable to the diverse-sized amorphous networks we have investigated. [ABSTRACT FROM AUTHOR]

We here report the electronic structure calculation of GaInSe3 and GaInTe3 monolayers with the P3m1 (no. 156) space group. The electronic structure and thermoelectric properties of the monolayers are calculated through the Vienna Ab initio Simulation Package and BoltzTraP2 codes. The dynamic and thermodynamic stabilities were verified by calculating their phonon spectra and simulating ab initio molecular dynamics. The monolayers were found to have a direct bandgap, with both PBE + SOC and HSE06 + SOC potentials. The lattice thermal conductivity of GaInTe3 monolayer calculated using Phono3py code shows ultra-low values due to enhanced phonon–phonon scattering. Combining electrical and thermal transport, the values have been evaluated. Importantly, the p-type GaInTe3 has excellent thermoelectric properties at 700 K, with a z T value of 2, indicating that the p-type GaInTe3 has potential application in the field of thermoelectricity. [ABSTRACT FROM AUTHOR]

The binary high-pressure phase diagram of the Ta–Sb system was constructed for the first time in this study, utilizing the evolutionary algorithm USPEX and density functional theory (DFT). Ten pressurized dynamically and mechanically stable or metastable novel phases of Ta–Sb were discovered, including I4/mmm-TaSb2, P4/nmm-TaSb, P-3-Ta2Sb7, I4/mmm-Ta2Sb3, P-4m2-Ta7Sb, Pm-3-Ta7Sb, Pmm2-Ta15Sb, P4/nmm-TaSb3, I4/mmm-Ta3Sb4, and I4/mmm-Ta2Sb5. The compounds P-4m2-Ta7Sb and Pmm2-Ta15Sb exhibit promising characteristics as non-centrosymmetric superconductors (NCSs), with their superconducting critical temperature (TC) being 3.831 and 3.221 K, respectively. The application of pressure tuning is predicted to transform the topological characteristics of P4/nmm-TaSb, causing it to transition from a topological insulator state to a Dirac semimetal state and ultimately reverting back to a topological insulator state. Therefore, the P4/nmm-TaSb compound is considered a promising candidate to investigate topological and superconducting excitations. Moreover, the mechanical and thermal properties of Ta–Sb binary phases were also investigated. The thermal conductivity of I4/mmm-TaSb2, P4/nmm-TaSb, and P4/nmm-TaSb3 all surpasses 20 W m−1 K−1 at 1000 K, showcasing their excellent thermal conductivity properties. The present study addresses the research gap concerning high-pressure structures in the Ta–Sb binary system, thereby offering valuable insights for the design and development of intermetallic compounds within this binary system. [ABSTRACT FROM AUTHOR]

Owing to the unique asymmetric geometry, Janus monolayer compounds exhibit various exotic thermal properties and have promising applications in thermal management. In this study, we combine machine learning potentials and the phonon Boltzmann transport equation to perform a comparative study of the thermal transport properties in Janus XBAlY (X = Se, S, Te; Y = S, Se, O; X ≠ Y) monolayers. Our findings unveil a thermal conductivity (κ p) ranking as SeBAlS > TeBAlO > SBAlSe, contradicting the conventional expectation that a higher κ p is typically observed when the average atomic mass is smaller. At room temperature, the κ p of SeBAlS is 174 Wm−1 K−1, which is 4.8 times that of SBAlSe when considering three-phonon scattering processes. Moreover, the consideration of four-phonon scatterings does not alter such ranking. The anomalous κ p phenomenon was explained through a detailed analysis of the phonon–phonon scattering mechanism, phonon bandgap, phonon anharmonicity, and chemical bond strength. This study highlights the intricate relationship between atomic mass, bonding characteristics, and thermal properties, offering insights for designing Janus materials with tailored thermal conductivity. [ABSTRACT FROM AUTHOR]

Hafnia (HfO2) is a potential candidate for the high-k gate dielectrics in next-generation high-power electronics. Its thermal transport properties, which determine the performance of these related high-power electronics, are critical while rarely investigated. Here, the thermal transport properties of HfO2 in a wide temperature range of 300–2000 K with a phase transition between monoclinic and tetragonal phases at ∼1765 K, are systematically studied based on the temperature-dependent effective potential landscapes with both propagating and coherence thermal transport considered. It is found that the cage-like structure of monoclinic HfO2 results in the avoid crossing in the phonon band structures, which increases the three-phonon scattering largely. Some phonon modes with significant scattering matrix can have relatively larger 3ph and 4ph scattering rates in tetragonal HfO2. Consequently, the thermal conductivity of HfO2 is only 11.95–1.72 W/mK at 300–2000 K. Our results further show that propagating phonon channels dominate the thermal transport in HfO2 and contribute at least 70% to the total thermal conductivity. The rest of the thermal conductivity of HfO2 results from the coherence thermal transport channels, which is caused by the overlap of phonons. Four-phonon scatterings are found to be significant for the thermal transport in tetragonal HfO2, which can result in a thermal conductivity reduction of ∼50%. Our results here advance the understanding of the thermal transport in HfO2, which may benefit the performance optimization of HfO2-related electronics. [ABSTRACT FROM AUTHOR]

Little research has been conducted to determine the thermal properties and phenomena of graphane and fluorographene. A clear understanding of the thermal problems involved is needed, which may provide a basis for further research on other material properties. In the present study, molecular dynamics simulations were performed to investigate the thermal properties of graphane and fluorographene and especially the phenomena involved, including thermal fluctuations and bending rigidities. Furthermore, comparisons of thermal properties and the phenomena involved were made computationally between pristine and functionalised graphene. The thermal fluctuations and bending rigidities were determined at different temperatures. The present study aims to provide a clear understanding of the thermal problems involved in hydrogenated and fluorinated graphene. The results indicated that while thermally excited ripples spontaneously appear in graphene, fully hydrogenated or fluorinated graphene is substantially unrippled due to their very high bending rigidities. There is no significant effect of thermal rippling throughout graphane and fluorographene due to their very high bending rigidities. However, partially hydrogenated or fluorinated graphene exhibits strong thermal fluctuations. Graphene behaves differently from graphane and fluorographene with regard to the dependence of bending rigidity on temperature. Furthermore, significant out-of-plane fluctuations may occur in partially fluorinated graphene. Thermal fluctuations of graphene are more sensitive to temperature than those of graphane and fluorographene.

In spite of significant efforts to investigate the ability of hydrogenated and fluorinated graphene to conduct heat, little research has focused particularly upon their other thermal properties, such as thermal contraction and heat capacity, which have implications for the development of thermal nanotechnology. In an attempt to determine these thermal properties, a few experiments have been carried out, with rather conflicting results. In the present study, calculations were performed using molecular dynamics to investigate the thermal properties of graphane and fluorographene and especially the phenomena involved. The thermal expansion coefficients and heat capacities of the two-dimensional materials were determined at different temperatures. The results indicated that graphane is thermally contracted more significantly than graphene. The calculated molar heat capacity at constant volume is about 25.00 J/(mol·K) for graphene and about 29.26 J/(mol·K) for graphane. The specific heat capacity of fluorographene is always lower than that of graphane. A negative relationship does exist between the binding energy and the temperature.

Thermal transport in wurtzite aluminum nitride (w-AlN) significantly affects the performance and reliability of corresponding electronic devices, particularly when lattice strains inevitably impact the thermal properties of w-AlN in practical applications. To accurately model the thermal properties of w-AlN with high efficiency, we develop a machine learning interatomic potential based on the atomic cluster expansion (ACE) framework. The predictive power of the ACE potential against density functional theory (DFT) is demonstrated across a broad range of properties of w-AlN, including ground-state lattice parameters, specific heat capacity, coefficients of thermal expansion, bulk modulus, and harmonic phonon dispersions. Validation of lattice thermal conductivity is further carried out by comparing the ACE-predicted values to the DFT calculations and experiments, exhibiting the overall capability of our ACE potential in sufficiently describing anharmonic phonon interactions. As a practical application, we perform a lattice dynamics analysis using the potential to unravel the effects of biaxial strains on thermal conductivity and phonon properties of w-AlN, which is identified as a significant tuning factor for near-junction thermal design of w-AlN-based electronics. [ABSTRACT FROM AUTHOR]

The lattice thermal conductivity (LTC) of Ga 2 O 3 is an important property due to the challenge in the thermal management of high-power devices. In this work, we develop machine-learned neuroevolution potentials (NEPs) for single-crystalline β - Ga 2 O 3 and κ - Ga 2 O 3 and demonstrate their accuracy in modeling thermal transport properties. Combining NEP-driven homogeneous non-equilibrium molecular dynamics simulations with tensor analysis, we determine the spatial distributions of LTCs for two Ga 2 O 3 crystals, showing dissimilar thermal behaviors. Specifically, β - Ga 2 O 3 shows isotropic thermal transport properties, with the LTCs along [100], [010], and [001] directions being predicted to be 10.3 ± 0.2 , 19.9 ± 0.2 , and 12.6 ± 0.2 W/(m K), respectively, consistent with previous experimental measurements. For κ - Ga 2 O 3 , our predictions suggest nearly isotropic thermal transport properties, with the LTCs along [100], [010], and [001] being estimated to be 4.5 ± 0.1 , 3.9 ± 0.1 , and 4.0 ± 0.1 W/(m K). The reduced LTC of κ -Ga 2 O 3 vs β -Ga 2 O 3 stems from its restricted low-frequency phonons up to 5 THz. Furthermore, we find that the β phase exhibits a typical temperature dependence slightly stronger than ∼ T − 1 , whereas the κ phase shows a weaker temperature dependence, ranging from ∼ T − 0.5 to ∼ T − 0.7 . [ABSTRACT FROM AUTHOR]

We present results of resonant ultrasound spectroscopy (RUS) measurements applied to granular high explosive materials at different bulk pressing densities and degree of thermal conditioning. The material chosen in this study is a ubiquitously used explosive material known as pentaerythritol tetranitrate (PETN), which is used commercially in civil and defense applications both as a binderized plastic bonded explosive material and an unbinderized neat material. However, changes in granular PETN bulk elastic properties due to thermal conditioning, which could have implications for better understanding environmental aging-related effects, have not been well studied even though it is believed that elasticity may play an important role in explosive material initiation mechanisms. Furthermore, monitoring elastic property changes in granular explosive pressings has not yet been demonstrated using RUS, which is an appealing non-destructive characterization tool that requires only dry point contact with the explosive material. To this end, we report the first study using RUS to quantify the elastic properties of binderized and neat PETN pressings as well as to quantify changes in elastic properties as a function of both thermal conditioning and bulk pressing density. Elastic stiffness coefficients, sometimes more commonly referred to as elastic constants, calculated from the RUS measurements on the different PETN-based materials show a significant increase for the post-conditioned samples compared to the pre-conditioned samples. This trend of increasing elastic properties with thermal conditioning was consistent for different density pressings, different thermal exposure conditions, and even different neat PETN pressings of differing average crystal sizes and/or specific surface areas. [ABSTRACT FROM AUTHOR]

The carbon nano-peapod is a representative structure with interlayer van der Waals (vdW) interactions, in which encapsulated fullerene molecules play a critical role in modulating the transport properties of the carbon nanotubes (CNTs). In particular, their influence on the thermal transport characteristics has been the focal point of considerable attention. In this study, we trained an accurate machine learning potential for fullerene-encapsulated CNTs based on the efficient NEP model to investigate their thermal properties. Using equilibrium molecular dynamics simulation along with the spectral decomposition method for thermal conductivity, we find that the thermal conductivity of fullerene-encapsulated CNTs is roughly 55 % lower than that of empty CNTs, aligning with experimental observations for CNT bundles with fullerene encapsulation [Kodama et al., Nat. Mater. 16, 892 (2017)]. The research suggests that weak vdW interactions between both the fullerene and CNTs, as well as between fullerene molecules themselves, hinder phonon propagation. The encapsulated fullerene contributes to an increase in phonon scattering within the CNTs, ultimately leading to a reduction in thermal conductivity. We utilized machine learning potential to investigate the structure of fullerene-encapsulated CNTs and their heat transport property. This approach provides valuable insights for performance research of complex systems featuring interlayer vdW interactions. [ABSTRACT FROM AUTHOR]

The use of flashlamp annealing as a low-temperature alternative or supplement to thermal annealing is investigated. Flashlamp annealing and thermal annealing were conducted on 100 nm thick indium tin oxide (ITO) films deposited on glass to compare the properties of films under different annealing methods. The ITO samples had an average initial sheet resistance of 50 Ω/sq. After flashlamp annealing, the sheet resistance was reduced to 33 Ω/sq only, while by thermal annealing at 210 °C for 30 min, a sheet resistance of 29 Ω/sq was achieved. Using a combination of flashlamp annealing and thermal annealing at 155 °C for 5 min, a sheet resistance of 29 Ω/sq was achieved. X-ray diffraction analysis confirmed that flashlamp annealing can be used to crystallize ITO. Flashlamp annealing allows for low-temperature crystallization of ITO on a time scale of 1–3 min. Through electrical and optical characterizations, it was determined that flashlamp annealing can achieve similar electrical and optical properties as thermal annealing. Flashlamp offers the method of low-temperature annealing, which is particularly suitable for temperature sensitive substrates. [ABSTRACT FROM AUTHOR]

When an impurity with a light mass is inserted into a crystal, it can undergo a high-frequency oscillation referred to as a local vibrational mode (LVM). A Fermi resonance may occur between the LVM and lower-frequency modes of the defect. The LVM may also interact with phonons or the electromagnetic field. Understanding these interactions can help model and control diffusion, defect reactions, and thermal conductivity. LVMs have been probed in semiconductors using pressure and alloying as experimental parameters, resulting in anticrossing between localized and extended vibrational modes. These types of vibrational interactions could play an important role in the stability and thermal properties of organic–inorganic hybrid semiconductors. The coupling between an LVM and electromagnetic wave yields an "LVM polariton," an excitation that has significant vibrational and electric-field amplitudes. [ABSTRACT FROM AUTHOR]

Recently, nanostructuration has been proposed to improve the performance of phase change memories. This is the case of superlattices composed of amorphous carbon and crystalline germanium telluride, which we have investigated by molecular dynamics. For this, a modified Stillinger–Weber potential is adapted to reproduce their stiffness contrast/impedance ratio. In order to study the effect of the interface interaction, two sets of parameters are used to model the interfaces with different interactions between the two materials using the properties of the softer material or the average properties between the two creating an adaptation of impedance across the layers. The effects of interface roughness and carbon diffusion at grain boundaries are studied. Using equilibrium molecular dynamics as well as the propagation of wave-packets, we show first that without impedance adaptation, the anisotropy is high, and the roughness has a marked impact on the properties. However, the introduction of impedance adaptation destroys those effects on the thermal conductivity. Finally, we show that the periodic texturing of the interface increases the transmission of in-plane transverse phonons. [ABSTRACT FROM AUTHOR]

Time-domain thermoreflectance (TDTR) and frequency-domain thermoreflectance techniques have been widely used to measure thermal properties. However, the existence of the metal sensor brings some limitations to the experimental measurement, such as temperature limits, disability to measure low in-plane thermal conductivity, in situ measurement cannot be achieved, etc. This paper proposes a transducerless time-domain thermoreflectance method to measure in- and cross-plane thermal conductivity of nanofilms, in which the optical absorption depth and thermal conductivity tensor are considered to establish a new differential equation that can describe the heat conduction process in multilayer structures. This thermal model can also calculate the effects of spot ellipticity and spot offset distance. Then, the analytical solution and relative deviation of this new model and the surface heat flow boundary model used in conventional TDTR are compared by calculating the phase signals. In terms of experimental measurement, this model is successfully used to derive cross- and in-plane thermal conductivity of PdSi and IrNiTa amorphous alloy nanofilms without a metal sensor. [ABSTRACT FROM AUTHOR]

We report on the thermal and magnetic properties of D y 1 − x S c x N i 2 series compounds (x = 0.1 , 0.3 , 0.5 , and 0.7), which were investigated through a model Hamiltonian including the exchange, Zeeman, and crystalline electric field interactions. We investigated the effect of Sc substitution on the Dy site on the magnetic and magnetocaloric properties of these compounds. Theoretical results were simulated for heat capacity, entropy, and the magnetocaloric effect quantities. Our model reproduced the decrease of the magnetic ordering temperature and of the isothermal entropy change peaks as Sc concentration increases. Our theoretical results were confronted with experimental data from the literature, showing good agreement. [ABSTRACT FROM AUTHOR]

To optimize the comprehensive performance of rare earth (RE) aluminates as thermal/environmental barrier coatings (T/EBCs), we engineered six kinds of novel high-entropy RE aluminate multiphase ceramics with the coexisting garnet and perovskite phases by regulating equivalent ionic radius of RE3+, and the relationship between the microstructure and thermal properties, as well as resistance to CMAS corrosion was investigated in-detail. The findings revealed that the garnet (5RE 0.2) 3 Al 5 O 12 content gradually decreased in multiphase ceramics with the increasing equivalent ionic radius of RE3+. The interaction between garnet and perovskite grains can decrease grain size, which in turn enhanced phonon scattering, thereby leading to the decrease in thermal conductivity. Moreover, the synergistic effect in the different dissolution rates of garnet and perovskite phases can form a dense garnet/apatite barrier layer at corrosion front, thereby contributing to CMAS corrosion resistance. These results provide a robust theoretical foundation for the advancement of next-generation T/EBCs. [ABSTRACT FROM AUTHOR]

Structural damage and shrinkage cracking were exhibited during the pyrolysis of ceramic aerogels prepared by the polymer-derived ceramics (PDCs) route. Herein, the shrinkage of the ceramic precursor during the pyrolysis was offset by utilizing curled molecular chains to store strain in advance. Microspheres composed of curled molecular chains were prepared using polysilazane (PSZ) as a precursor. The microspheres were linked into a three-dimensional skeleton and further fabricated into precursor ceramic microspheres aerogel (PSZ/MCMSA) with shrinkage resistance. The morphology, thermal insulation, and shrinkage resistance properties of the material were tested. The results indicated that PSZ/MCMSA exhibited outstanding thermal insulation and shrinkage resistance properties. The shrinkage of the precursor ceramic microspheres (PSZ/MCMS) was offset by the strain stored through the curled PSZ molecular chains in the PSZ/MCMS. In addition, the microsphere skeleton structural supporting and gas escape channels were formed during the sintering, and the shrinkage resistance of the precursor ceramic aerogel was further enhanced. [ABSTRACT FROM AUTHOR]

Ti 3 SiC 2 MAX phase ceramic has effectively enhanced the oxidation resistance of C/SiC composites. However, there is still a need for a numerical ablation model that can analyze the ablative behavior of 2D C/SiC composites. To address this, an efficient, phenomenological multi-scale ablation model, including the thermal property theoretical model, oxidation, decomposition, and sublimation ablation models, is established for revealing the effect of Ti 3 SiC 2 on the ablation resistance of the 2D C/SiC composite. The ablative behavior is evaluated using the continuous-wave laser with different laser power densities as the heat source and used as a basis for numerical model verification. The results show that the Ti 3 SiC 2 MAX phase ceramic can improve the ablation resistance of the 2D C/SiC composite under different laser power densities. The ablation roughness is reconstructed through the mesoscopic geometry structure and maximum/minimum ablation depth. The numerical model can analyze the effect of the mesoscopic geometry structure parameters on the ablation behavior. The model can provide a predicting method for the quantitative ablative calculation of 2D C/SiC and matrix-modified composites. • An efficient, phenomenological multi-scale ablation model is established. • The ablation resistance mechanism of Ti 3 SiC 2 MAX phase ceramic for the 2D C/SiC composite is revealing. • The mesoscale ablation roughness of 2D C/SiC composites is reconstruction. • The effect of mesoscopic geometry structure parameters on the ablation behavior is analyzed. [ABSTRACT FROM AUTHOR]

This study presents a detailed investigation into the structural, thermal, and radiation shielding properties of a new glass composition, labeled as (50-x)B 2 O 3 + 30TeO 2 + 10Bi 2 O 3 + 10CdO + x Tm 2 O 3 (where x = 0, 1, 2, 3, 4, 5 mol %). Various radiation shielding parameters such as mass attenuation coefficient, linear attenuation coefficient, half-value layer, mean free path, effective atomic number, and absorbed equivalent dose rates for neutrons were determined through experimental measurements. The study also employed theoretical calculations to assess the exposure buildup factor and effective removal cross-section for neutrons. Additionally, the SRIM program was utilized to investigate mass stopping power and projected range for proton and alpha particles. The structural characteristics of the glasses were analyzed using XRD and FT-IR, while thermal properties were examined through Differential Thermal Analysis (DTA). FTIR analysis revealed distinctive bands corresponding to Bi—O, B—O—B, and Te—O bonds. Glass transition temperatures (T g) increased with Tm 2 O 3 content, ranging from 422 °C to 444 °C. The radiation shielding properties of bismuth boro-tellurite glasses showed that a dose of 1.2025 μSv/h emitted from a fast neutron source was absorbed by 35.1574 % in pure glass and 40.0391 % in glass doped with 5 mol% Tm 2 O 3. Incorporating Tm 2 O 3 into the glass matrix significantly improved the shielding and thermal properties, thus enhancing their potential for advanced high-energy radiation absorption. This investigation contributes to a deeper understanding of how Tm 2 O 3 enhances the structural and thermal attributes of these glasses, positioning them as promising materials for radiation shielding applications. [ABSTRACT FROM AUTHOR]

Materials with a thermal expansion coefficient compatible with silicon carbide based ceramic matrix composites and low thermal conductivity at higher temperatures are crucial for developing environmental barrier coatings (EBCs) for aero-engines. Lately, high entropy silicate engineering has been a promising approach to develop optimized EBC materials. The solid solution reaction method was adopted for the fabrication of high entropy multicomponent (Dy 1/5 Er 1/5 Tm 1/5 Yb 1/5 Y 1/5) 2 SiO 5 or (5RE 1/5) 2 SiO 5 monosilicate. Scanning electron microscopy and X-ray diffraction show the homogenous distribution and a single-phase solution of (5RE 1/5) 2 SiO 5 monosilicate. Differential scanning calorimetry testing was done at 1450 °C which shows no exo/endothermic reaction has occurred. The value of the coefficient of thermal expansion (6 ppm/°C) up to temperature 1500 °C and low thermal conductivity values for (5RE 1/5) 2 SiO 5 monosilicate were observed (1.1–1.4 W/m°C) in the temperature range between 25 and 1500 °C. The water vapor corrosion resistance of (5RE 1/5) 2 SiO 5 monosilicate further confirms that the material is suitable for EBC applications due to the synergistic effect of different rare earth radii and stable crystal structure with a negligible weight loss value of 0.0005 mg/cm2 after 150 h corrosion time under 90 % H 2 O and 10 % O 2 at 1300 °C. The results of this work suggest that (5RE 1/5) 2 SiO 5 monosilicate can be used as a promising candidate for environmental barrier coatings. [ABSTRACT FROM AUTHOR]

To improve the oxidation and ablation resistance of SiC f /SiC composites, the as-synthesized ultrafine HfB 2 powder was used as the modification phase to fabricate SiC f /SiC-HfB 2 composites, and their oxidation and ablation behaviors were investigated. Compared with the unmodified SiC f /SiC composites, the oxidation resistance at 800–1500 °C and the ultra-high temperature ablation resistance of SiC f /SiC-HfB 2 composites were significantly improved. After oxidation, a compact compound glass scale consisting of HfO 2 , HfSiO 4 and Si-Hf-O glass was formed, providing the effective oxidation protection. A dual-phase oxide scale composed of HfO 2 skeleton and Si-Hf-O glass was formed after ablation, exhibiting the high viscosity, the significant oxygen-blocking effect and resistance to gas flow scouring. The improved oxidation and ablation resistance of SiC f /SiC-HfB 2 composites could be attributed to the effective protective role of oxygen-blocking scales formed during the oxidation and ablation processes. [ABSTRACT FROM AUTHOR]

Microstructures and thermoelectric properties of porous Ca 3 Co 4 O 9 ceramics were investigated, which were prepared by tert-butanol alcohol (TBA)-based freeze casting method. The honeycomb-like porous Ca 3 Co 4 O 9 ceramic presented an average pore diameter of 2.5 μm and the porosity of 65 %. The excellent low total thermal conductivity of 0.354 W (m K)−1 was obtained along the parallel channel direction, which was attributed to the oriented pores and isolated pores dispersed in ceramics matrix. The compositing thermal conductivity behavior of porous Ca 3 Co 4 O 9 ceramics was jointly regulated by the parallel and Maxwell-Eucken (ME-1) models. The ZT value reached 0.37 at 1073 K. This work provides an effective strategy to improve thermoelectric properties of oxides thermoelectric ceramics, which can complete the decoupling of electrical and thermal properties. [ABSTRACT FROM AUTHOR]

This work explores the investigation of tin monochalcogenides i.e. SnX (X: S, Se, Te) at room temperature (300 K). The mechanical, thermophysical and ultrasonic properties of SnX (X: S, Se, Te) have been evaluated using the computed values of second- and third-order elastic constants (SOECs and TOECs). The SOECs and TOECs have been obtained using Born–Mayer potential model at 0 K and 300 K. The brittleness behavior of tin monochalcogenides is detected by Pugh's ratio. It is observed that phonon–phonon interaction mechanism is dominant in tin monochalcogenides leading to high ultrasonic attenuation. The obtained temperature dependence behavior of tin monochalcogenides is validated via comparison with available works of literature data in previous works done experimentally as well as theoretically by others. [ABSTRACT FROM AUTHOR]

With the development of electronic devices and wireless communication technology, the quality of human life has improved. However, shielding from electromagnetic interference (EMI) is required due to device malfunctions and harmful effects on human health. Polymer‐based shielding materials getting much attention due to their light weight, flexibility, good processability, and other desirable traits. However, achieving consistent dispersion of conductive fillers and optimizing the balance between electrical, mechanical, and thermal properties remain challenges despite the advantages of polymer‐based materials. Especially, epoxy resins are promising polymer materials for EMI shielding applications due to their excellent mechanical strength, chemical resistance, and excellent adhesive properties. Additionally, epoxy resin exhibits remarkable processability allowing for various fabrication techniques such as casting, molding, and three‐dimensional printing. However, one of the significant drawbacks of epoxy resin is the difficulty in achieving uniform dispersion of conductive fillers within the epoxy matrix. In this study, we propose an iron‐nickel alloy (FeNi) embedded in an epoxy matrix (FeNi/Epoxy) for EMI shielding material. It is manufactured by facile fabrication process due to the advantages of epoxy, which has excellent processability. EMI shielding effectiveness at 12 GHz is enhanced from 9.12 to 17.86 dB by the increase of FeNi concentrations. Furthermore, thermal and mechanical properties were improved by the increase of FeNi concentration. Thermal conductivity for efficient heat dissipation is increased from 0.63 to 1.49 Wm−1 K−1. Moreover, polydopamine (PDA) was employed as a surface coating material for FeNi to overcome the non‐uniform dispersion of FeNi particles in the epoxy matrix. Surface coating by PDA significantly enhanced the dispersion uniformity and strengthened the adhesion between the filler and matrix. Elastic modulus is greatly increased from 83.03 MPa to 1.29 GPa by the surface coating. The enhancement of mechanical properties is derived from the chemical bonds between the filler and matrix. [ABSTRACT FROM AUTHOR]

A novel surface modification technique for graphite films (GF) to improve the interface thermal resistance with epoxy resin was presented. By utilizing the self‐polymerization of dopamine (PDA), dopamine micro and nanoparticles were formed on the surface of the GF. Subsequently, the surface of the epoxy resin was functionalized with polydopamine (PDA) through grafting of the silane coupling agent 3‐glycidyl ether oxy‐propyl trimethoxy silane (GOPTS), enabling the introduction of epoxy resin groups onto the surface of the GF. Employing a simple folding technique, a three‐dimensional GF network (3DGF) was constructed, in which modified GF was successfully incorporated into the polymer matrix. The results showed that the 3DGF network further promoted the effective transfer of heat and electrons within the composite, leading to a significant improvement in thermal and electrothermal conversion performance. The prepared 3DGPGF/epoxy resin composite exhibits high thermal conductivity (7.14 W/mK) at a relatively low GF loading (31.9 wt%). Under a voltage of 12 V, the surface temperature of the sample rapidly rises from room temperature to 130°C within 200 s, and can completely melt ice cubes within 60 s. These results indicate that epoxy‐silane‐dopamine‐modified graphite film can be a promising candidate material, and this work provides a promising strategy for designing and manufacturing high‐performance composites with improved thermal properties. The developed method has the potential to be extended to other polymer matrices and fillers, and the prepared composites have enormous potential in various applications. [ABSTRACT FROM AUTHOR]

Passive cooling is a cooling technology that does not require external energy input, with most passive cooling strategies having high manufacturing difficulty and cost. In this study, we prepared lightweight aerogels (0.093 g/cm3) with high porosity (91.3%), directional pores, enhanced elastic recovery performance, and lower thermal conductivity (0.046 W/mK) through simple mixing, directional freezing, and freeze‐drying. The prepared samples have a reflectance of 87% in the ultraviolet—visible—near‐infrared (UV‐Vis‐NIR) range (0.2–2.5 μm) and an emissivity of 93.6% in the atmospheric transparency window. After covering the box with axial and transverse aerogel samples, the temperature inside the box relative to the uncovered sample box decreased by 12.9 and 13.4°C, respectively. This work provides a feasible method for the research of simply prepared passive cooling materials. [ABSTRACT FROM AUTHOR]

Y 2 O 3 ceramics are increasingly recognized for their excellent vacuum stability and high-temperature chemical stability in the field of functional materials research. However, their poor thermal shock resistance renders them susceptible to spalling and damage during use, thus restricting further applications. To address this issue, the low thermal expansion coefficients of Y 2 SiO 5 materials were leveraged. Through an in situ reaction between SiO 2 and Y 2 O 3 , a Y 2 SiO 5 phase was generated that induced a thermal expansion mismatch with Y 2 O 3 , thereby enhancing the thermal shock resistance of the ceramic. Using Y 2 O 3 fine powder as the primary material, silica sol and nano-SiO 2 were selected as reactive silicon sources to prepare Y 2 O 3 –Y 2 SiO 5 composite ceramics at 1750 °C. The impact of the different silicon sources and Y 2 SiO 5 phase content on the microstructure, mechanical, and thermal properties of the composite ceramics was studied. The results demonstrated that the in situ formation of Y 2 SiO 5 significantly improved the thermal shock resistance of the composite ceramic. Specifically, increasing the SiO 2 content led to a gradual rise in the volume fraction of Y 2 SiO 5 formed between Y 2 O 3 grains, thereby increasing the residual flexural strength and enhancing the hardness and elastic modulus. The low thermal expansion coefficient of Y 2 SiO 5 reduced the overall thermal expansion coefficient of the composite material, thereby improving the thermal shock resistance. Moreover, the thermal expansion coefficient mismatch between the Y 2 O 3 and Y 2 SiO 5 phases induced numerous microcracks within the material, providing thermal stress relief within the microcracks and markedly improving the resistance of the ceramic to thermal shock. [ABSTRACT FROM AUTHOR]

Bi 4 Ti 3- x (Mg 1/2 W 1/2) x O 12 (BTMW100 x) ceramics were synthesized using a direct reaction method combined with a two-step sintering technique. The study systematically investigated the effects of B-site equivalent substitution of (Mg 1/2 W 1/2)4+ on BTMW100 x ceramics. The experimental results indicate that an appropriate amount of (Mg 1/2 W 1/2)4+ doping effectively reduces grain thickness, enhances grain distribution uniformity, and decreases the concentration of oxygen vacancies. Consequently, these modifications lead to improved piezoelectric performance while maintaining a high Curie temperature. Notably, Bi 4 Ti 2.95 (Mg 1/2 W 1/2) 0.05 O 12 (BTMW5) ceramics exhibit excellent piezoelectric properties and thermal stability, with a piezoelectric coefficient of 23 pC/N and a Curie temperature of 683 °C. These findings suggest that BTMW5 ceramics are promising candidates for high-temperature piezoelectric applications. [ABSTRACT FROM AUTHOR]

In recent years, phosphors have been used in the field of temperature sensing, which has aroused great interest because of its advantages of quick response, high sensitivity and high accuracy. However, exploring optical thermometers with ultra-high sensitivity remains a challenge. In this work, we have designed and synthesized Sm3+ and Mn4+ co-doped La 3 Mg 2 NbO 9 phosphor for temperature sensing for the first time by utilizing the anomalous thermal quenching property of Sm3+ ions and the sensitive thermal quenching property of Mn4+ ions. Furthermore, the structure, elemental distribution, morphology and optical characteristics of La 3 Mg 2 NbO 9 :Sm3+,Mn4+ were studied in detail. Benefiting from the different responses of the Sm3+ and Mn4+ ions to temperature, the fluorescence intensity ratios of Sm3+ to Mn4+ in La 3 Mg 2 NbO 9 samples show excellent optical thermometry performance in the range of 303–463 K. The maximum absolute sensitivity (S a) and relative sensitivity (S r) values of La 3 Mg 2 NbO 9 :Sm3+,Mn4+ sample reach as high as 0.117 K-1 (@463 K) and 4.48 % K−1 (@303 K), respectively. Furthermore, the maximum of S a is 0.385 K−1 (@463 K) and the maximum of S r is 4.54 % K−1 (@303 K) based on the fluorescence lifetime temperature measurement method. The temperature cyclotron curve of the sample proves that the sample has excellent stability and repeatability in temperature measurement. These results demonstrate that the designed La 3 Mg 2 NbO 9 :Sm3+,Mn4+ phosphor is promising for the field of non-contact optical temperature thermometry. [ABSTRACT FROM AUTHOR]

In the present work, a thermographic procedure to evaluate in-plane thermal diffusivity and parallel finite element method were applied to a metal matrix composite layer. The observed coatings were realized with copper and graphene. Graphene application is more interesting in various fields, but this innovative technology shows various issues of application like the cluster formation that reduces mechanical and physic properties of coating. In this work, the application of graphene can be made with electrodeposition, and a matrix of copper was obtained with subsequent electrodeposition processes. This innovative methodology allows to avoid the issue of cluster formation and increases the amount of graphene in the final layer. In addition, the implementation of multi-coating increases thermal diffusivity by up to 65% obtaining results difficult to reach with a single layer of graphene. In addition, a FEA simulation was carried out to observe the compliance of the numerical method aimed at predicting the thermal properties of the obtained composite. [ABSTRACT FROM AUTHOR]

Functional nanocomposites have garnered considerable attention due to their ability to exhibit multifunctional properties and achieve exceptional performance. This current paper aims to analyze the individual and combined effects of magnetite (Fe3O4) and Graphene nanoplatelets (GNPs) on the mechanical, thermal, and morphological properties of a blend consisting Thermoplastic elastomer (TPE) which is made up of Natural rubber (NR) and Polyaniline (PANi). Both nanocomposites were fabricated via melt blending method using an internal mixer, followed by compression via hot/cold pressing. The incorporation of Fe3O4 was observed to consistently enhance the flexural and impact properties compared to GNP-based nanocomposites. Notably, the nanocomposites filled with 6 wt% Fe3O4 displayed the highest flexural strength (2.1 MPa), flexural modulus (31.1 MPa), and impact strength (4.4 kJ/m2). Results from thermogravimetric analysis and differential scanning calorimetry demonstrated a significant improvement in thermal stability within the nanocomposites. The introduction of nanoparticles led to a delay in decomposition and melting processes. The hybridization of Fe3O4 and GNP proved effective in synergistically enhancing both mechanical performance and thermal stability. At optimum content, scanning electron microscopy micrographs revealed a uniform dispersion of Fe3O4/GNPs within the TPE-PANi blend, accompanied by strong interactions between the components. [ABSTRACT FROM AUTHOR]

The aim of this research was to investigate asphalt effects on the storage stability, mechanical properties and micro‐properties of cold‐mixed epoxy asphalt binder (CEAB). Firstly, four CEAB were prepared with four base asphalt types and storage stability, miscibility analyses were performed by fluorescence microscopy (FM). Then, cured CEAB and epoxy resin (ER) were treated by ultraviolet aging. Tensile test, dynamic mechanical analysis (DMA), scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy were applied to clarify the mechanical properties and micro‐properties of aged and unaged CEAB. Also, bending beam rheometer (BBR) tests were conducted to study low‐temperature performance of CEAB. The results revealed that the CEAB prepared with asphalt with penetration grade 60 ~ 80 presented superior storage stability, miscibility, mechanical properties and that prepared with penetration graded 80 ~ 100 showed slightly better low‐temperature performance. Moreover, asphalt properties were found to have little impacts while epoxy resin played a key role in the mechanical properties of CEAB. Glass transition temperature (Tg) of the CEAB containing penetration‐graded asphalt 80 ~ 100 decreased more significantly than that with penetration‐graded asphalt 60 ~ 80, and it was also found that the CEAB prepared with base asphalt with higher molecular weight polydispersity index had better ductility performance. [ABSTRACT FROM AUTHOR]

The flammability of unsaturated polyester resins (UPRs) limits their applications. Herein, a reactive P‐ and N‐containing flame retardant (DPET) having triazole and piperazine rings is reported. The 9,10‐Dihydro‐9‐oxa‐10‐phosphaphenanthrene 10‐oxide (DOPO) was used to introduce P atoms, and eugenol was used to import reactive double bonds to DPET. Different ratios of DPET were mixed with a commercial UPR and the thermal, mechanical, optical, and flame retardancy properties were measured. The addition of 15% of DPET into neat UPR led to a decrease in the water contact angle from 70° ± 2 to 61° ± 2. The gel content values of the UPRs were found to change between 97.5% and 89%. The optical properties of the UPR were adversely affected by the incorporation of DPET. The modulus of the DPET‐containing UPRs increased with increasing amount of DPET and 15% of DPET‐containing UPR displayed a modulus value of 1784 ± 86 MPa. When 15% DPET was added to neat UPR, char yields were increased (from 5.6% to 16.6%). Limiting oxygen index (LOI) values increased with increasing amounts of DPET and reached up to 23.4%. Micro cone calorimeter (MCC) test results showed up to a 20.5% reduction in the peak heat release rate (PHRR) of the UPR when 15% DPET was added. [ABSTRACT FROM AUTHOR]

The objective of this study is to improve the properties of polylactic acid (PLA), a biopolymer produced from renewable resources, without compromising its environmentally friendly "natural composite" properties. The aim was to expand the application range of PLA by making it suitable for the production of high performance composites. With this in mind, it was decided to use inorganic and environmentally friendly materials such as basalt fiber (BF) and boric acid (BA) as reinforcements. Adhesive wear and tensile tests were used to investigate the tribological and mechanical performance of the composites. Differential scanning calorimetry (DSC) and dimensional stability analysis (DSA) methods were used to investigate the thermal properties. Scanning electron microscopy analysis was also used to investigate the morphological properties of the samples. In addition, a matrix modification process using Joncryl®, an epoxy‐based chain extender chemical, was applied to enhance the interfacial interaction between the composite components and improve the composite properties by improving the dispersion of reinforcing materials. As a result of the characterization tests, it was observed that a significant improvement in the properties of the material type containing 10 wt% BF, 0.25 wt% BA and 2 wt% Joncryl® was achieved. A 19% increase in tensile strength of this type of material was observed compared with unreinforced PLA, while the sharp peak increase in the coefficient of friction (COF) curve was shifted from 20 m to 60 m. As a result, it has been presented that environmentally friendly and inorganic materials such as BF and BA can be used to produce composite materials that will serve sectors where the need and use of high performance materials is intense, especially in the automotive, aerospace and aviation sectors. Highlights: The properties of PLA matrix composites were improved by the simultaneous use of BF and BA and the addition of Joncryl®.The structural properties of PLA, an environmentally friendly polymer, have been improved without compromising this characteristic.PLA matrix natural composites with performance that can be used in the automotive, aerospace and aviation sectors have been developed. [ABSTRACT FROM AUTHOR]

Phthalonitrile monomer containing oxazine ring (BPS‐Ph) was synthesized using bisphenol‐S, aniline, paraformaldehyde, and 4‐nitrophthalonitrile via a two‐step method. The differential scanning calorimetry (DSC) data of the curing process of BPS‐Ph monomer indicates that the peak polymerization temperature of the cyan group is about 250°C and that confirms the promoting effect of oxazine ring on the curing reaction of phthalonitrile. The rheological data of E51/DDS containing BPS‐Ph indicates that the BPS‐Ph monomer also has promoting effect on the curing process. The activation energy was studied via the iso‐conversional method principle. The activation energy corresponding to the E51/DDS crosslinking reaction is 75.79 and 60.54 kJ mol−1, respectively, for pure E51/DDS and E51/DDS/BPS‐Ph. Moreover, the activation energy of the crosslinking of phthalhydrazine is 74.1 kJ mol−1 which is rather lower than that in pure BPS‐Ph, and that implies the synergistically catalytic effect of the oxazine ring and the amine. The addition of BPS‐Ph monomer significantly improves the thermal behaviors of the thermoset. The char yield in N2 atmosphere increased from 15.6% to 53.9% when adding 30% BPS‐Ph to the E51/DDS. Moreover, the peak weight loss temperature decreased from 407 to 385°C. The phase separation size of poly‐BPS‐Ph in E51/DDS is about tens to hundreds nanometers according to the atomic force microscopy (AFM) phase diagram. It is indicated that incorporation of phthalonitrile monomer containing oxazine ring into epoxy/amine system is an applicable and effective way to promote the thermal behavior of the thermoset. [ABSTRACT FROM AUTHOR]

Polybutadiene grafted methyl methacrylate copolymer (PBL‐g‐MMA, MB) with core‐shell structure was prepared by emulsion polymerization. Without adding compatibilizers, PC/ABS composites were blended with polycarbonate (PC) and SAN. The effects of methacrylate butadiene (MB) on mechanical properties, flow properties, and thermal properties of PC/ABS composites were investigated. The results show that the addition of MB has obvious toughening effect on PC/ABS, effectively improving the mechanical properties and melt flow rate (MFR) of PC/ABS composites, and hence significantly improving the processability of PC/ABS composites. When the amount of MB is 12 phr, the notched impact strength of PC/ABS blend can reach up to 430 J/m. This is several times more than pure PC resin. The scanning electron microscope (SEM) analysis results show that the compatibility of PC/ABS and the impact strength of PC/ABS blend are improved with the increase of MB dosage. With the increase of MB content, the softening temperature of Vicat first decreased and then increased. It increased with the increase of PC content. [ABSTRACT FROM AUTHOR]

Six varieties of alkoxy polyhedral oligomeric silsesquioxanes (POSSs) featuring methoxy, ethoxy, n‐propoxy, isopropoxy, n‐butoxy, and n‐hexoxy as terminal groups were synthesized using the direct dehydrogenation condensation method. These POSSs were then incorporated as cross‐linking agents into hydroxy‐terminated polydimethylsiloxane (HPDMS) to create various formulations of room temperature vulcanized silicone rubbers (RTV SRs), denoted as SRM, SRE, SRP, SRI, SRB, and SRH. The morphology, thermal stability, and mechanical properties of the resulting SRs are analyzed using scanning electron microscopy (SEM), thermal gravimetric analysis (TGA) and universal tensile testing machine. The findings indicate that the incorporation of POSS into SRs results in significant enhancements in thermal stability and mechanical properties when compared to the control group (TEOS/SR). SRB and SRH exhibit the highest cross‐linking density and tensile strength. Specifically, SRB‐4 demonstrates the highest tensile strength at 2.66 MPa, representing an 8.6‐fold increase compared to TEOS/SR. The maximum decomposition rate temperature of SRP‐4 reaches 527°C and is 194°C higher than TEOS/SR. Because the alkoxy groups with different chain lengths on POSS have different chemical reactivity, they have a great effect on the dispersion of POSS in SRs, which affect the cross‐linking density, tensile strength, and thermal stability. [ABSTRACT FROM AUTHOR]

In this paper, highly electrically and thermally conductive copper powders (Cu) and electrically insulative yet thermally conductive silicon carbide whiskers (SiCw) were selected as functional fillers and high‐density polyethylene (HDPE) was used as the matrix to prepare thermal conductive composites. By controlling the amount of Cu at 30 vol% which is below percolation threshold, the volume resistivity of the composites is maintained above 1014 Ω cm. The results showed that SiCws entered the area which was not occupied by Cu particles and they played a bridging effect among Cu particles, thereby promoting the formation of intact thermal conductive pathways that contributed to improving the thermal conductivity of corresponding composites. The combination of SiCw:Cu = 3:1 at a filler content of 30 vol% resulted in a thermal conductivity as high as 1.921 W/mK, which is 380% higher than pure HDPE. [ABSTRACT FROM AUTHOR]

Practical Application This study aims to obtain sunnhemp protein isolate (SHPI) and dextran conjugates by dry heating method of Maillard conjugation. The effects of different incubation time (0, 1, 3, 5, 7, and 9 days) on the molecular flexibility, available lysine content, antioxidant properties, molecular structure, and thermal and micro‐structural properties of conjugates were compared with SHPI (no conjugation) at 60°C and 79% relative humidity. The results indicated the formation of SHPI–dextran conjugates as confirmed by the change in molecular flexibility, lysine content, antioxidant activities, color, and water activity values. The molecular structure revealed the confirmation of covalent bonding between SHPI and dextran. Differential scanning calorimetry and thermo‐gravimetric analysis results exhibited improvement in the thermal stability of SHPI when conjugated with dextran. The microstructural characterization showed that Maillard conjugation changed the surface structure of SHPI. The analysis of amino acid composition displayed that lysine, arginine, and phenylalanine were the dominant Maillard reaction sites of SHPI and dextran. Among all the conjugated samples, 5 days of incubation time was selected as an optimum condition for the development of SHPI–dextran conjugates on the basis of the aforementioned characterization. Overall, it was concluded that Maillard conjugation of sunnhemp protein with dextran via dry‐heating technique could modify and improve its various attributes.The conjugation of plant proteins with polysaccharide through the Maillard reaction under dry heating conditions represents a natural and green technique for improving the techno‐functional properties of proteins. The study has the potential to establish framework for the utilization of Sunnhemp protein isolate‐dextran conjugates. This approach offers the potential for cost‐effective production of emulsifiers and development of effective encapsulating matrices. The investigation expands on an underutilized plant protein source facilitating an alternative to animal‐based proteins and contributing to the development of a sustainable circular bioeconomy. [ABSTRACT FROM AUTHOR]

Polymeric supramolecular hydrogels (PSHs) leverage the thermodynamic and kinetic properties of non‐covalent interactions between polymer chains to govern their structural characteristics. As these materials are formed via endothermic or exothermic equilibria, their thermal response is challenging to control without drastically changing the nature of the chemistry used to join them. In this study, we introduce a novel class of PSHs utilizing the intercalation of double‐stranded DNA (dsDNA) as the primary dynamic non‐covalent interaction. The resulting dsDNA intercalating supramolecular hydrogels (DISHs) can be tuned to exhibit both endothermically or exothermically driven binding through strategic selection of intercalators. Bifunctional polyethylene glycol (MW~2000 Da) capped with intercalators of varying hydrophobicity, charge, and size (acridine, psoralen, thiazole orange, and phenanthridine) produced DISHs with comparable moduli (500–1000 Pa), but unique thermal viscoelastic responses. Notably, acridine‐based cross‐linkers displayed invariant and even increasing relaxation times with temperature, suggesting an endothermic binding mechanism. This methodology expands the set of structure‐properties available to biomass‐derived DNA biomaterials and promises a new material system where a broad set of thermal and viscoelastic responses can be obtained due to the sheer number and variety of intercalating molecules. [ABSTRACT FROM AUTHOR]

This paper is the first to look at the structural, electronic, mechanical, optical, and thermodynamic properties of the ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) half‐Heusler (HH) using DFT based first principles method. The lattice parameters that we have calculated are very similar to those obtained in prior investigations with theoretical and experimental data. The positive phonon dispersion curve confirm the dynamical stability of ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn). The electronic band structure and DOS confirmed that the studied materials ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) are direct band gap semiconductors. The investigation also determined significant constants, including dielectric function, absorption, conductivity, reflectivity, refractive index, and loss function. These optical observations unveiled our compounds potential utilization in various electronic and optoelectronic device applications. The elastic constants were used to fulfill the Born criteria, confirming the mechanical stability and ductility of the solids ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn). The calculated elastic modulus revealed that our studied compounds are elastically anisotropic. Moreover, ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) has a very low minimum thermal conductivity (Kmin), and a low Debye temperature (θD), which indicating their appropriateness for utilization in thermal barrier coating (TBC) applications. The Helmholtz free energy (F), internal energy (E), entropy (S), and specific heat capacity (Cv) are determined by calculations derived from the phonon density of states. [ABSTRACT FROM AUTHOR]