Temperature-dependent Properties Research Articles

Comprehensive experimental datasets of quasicrystals and their approximants

AbstractQuasicrystals are solid-state materials that typically exhibit unique symmetries, such as icosahedral or decagonal diffraction symmetry. They were first discovered in 1984. Over the past four decades of quasicrystal research, around 100 stable quasicrystals have been discovered. In recent years, machine learning has been employed to explore quasicrystals with unique properties inherent to quasiperiodic systems. However, the lack of open data on quasicrystal composition, structure, and physical properties has hindered the widespread use of machine learning in quasicrystal research. This study involves a comprehensive literature review and manual data extraction to develop open datasets consisting of composition, structure types, phase diagrams, and sample fabrication processes for a wide range of stable and metastable quasicrystals and approximant crystals, as well as the temperature-dependent thermal, electrical, and magnetic properties.

Optimizing laser-induced phase transformations in Sb2S3 thin films: Simulation framework and experiments

We present a novel simulation approach combined with pulsed laser experiments, spectroscopic ellipsometry, and Raman spectroscopy to comprehensively analyze phase transformation dynamics in thin films. The simulations apply to any thin film stack and incorporate critical factors, such as thin film interference, heat transfer, and temperature-dependent optical properties during heating and melting. As a case study, we investigate the picosecond laser-induced amorphization of antimony sulfide (Sb2S3) thin films, a promising alternative to traditional phase-change materials in photonic applications to validate the simulation model. The computational efficiency of our simulations enables not only the investigation of the laser-induced phase transformation but also the optimization of key process parameters and parameter fitting. The simulations identified optimal film thickness and laser fluence parameters that maximize energy efficiency, melting effectiveness, and quenching rate while ensuring high reflectivity contrast between the amorphous and crystalline states. By constructing a wide-ranging, high-resolution parameter map of the laser fluence and film thickness dependence of the melting process, we demonstrate how this model guides the understanding of phase transformation dynamics. Raman spectroscopy confirms the polycrystalline to amorphous transition of Sb2S3 and provides a semiquantitative estimate of the amorphous fraction as a function of laser fluence, which is qualitatively consistent with the simulation predictions of the model. The open-source simulation framework, experimentally validated, provides valuable insights into laser-induced amorphization dynamics in Sb2S3 and related phase-change material thin films, enabling rapid optimization of photonic devices.

Effect of Fin Configuration on the Early Stage of the Melting Process of a Phase Change Material

Thermal storage systems are essential for optimizing energy resource utilization, particularly in the current context where sustainability and efficiency are critical. Phase Change materials (PCMs) offer a promising solution for improving thermal management efficiency without additional power consumption. Considering that the low thermal conductivity of phase change materials (PCMs) is a limiting factor for heat transfer, this study employs the enthalpy-porosity method to analyze the melting characteristics of a high-Prandtl number PCM. Additionally, this study investigated the effect of varying the number of fins in the heat sink on the heat transfer rate. The material melting process was modeled by considering buoyancy effects and treating the flow as incompressible, Newtonian, transient, and laminar. Lauric acid was selected as the working material with temperature-dependent properties that were incorporated into the simulations for greater accuracy. Three different heat sink configurations were analyzed, varying the number of fins from 5 to 10 and their lengths from 0.02 meters to 0.04 meters. The objective was to optimize the cooling performance using aluminum, which was selected for its excellent balance of lightweight properties and high thermal conductivity. This analysis aimed to assess how these variations in the fin count and dimensions affect the overall heat dissipation efficiency and thermal management of the system. The inclusion of a finned heat sink within a heat exchanger has demonstrated significant efficiency, particularly in regions with substantial boundary layer development, resulting in enhanced heat transfer. These findings highlight the effectiveness of using finned heat sinks in these regions. However, an interesting observation emerged regarding the effect of increasing the number of fins over long periods. Although initially beneficial, a larger number of fins eventually led to a reduced performance over time, notably affecting the thermal storage capacity and molten liquid mass production. Additionally, this study elucidates the influence of natural convection on thermal boundary layer development, highlighting the complexity of the heat transfer processes.

Temperature-dependent optical and dielectric properties of polyvinyl chloride and polystyrene blends in terahertz regime

Terahertz time-domain spectroscopy (THz-TDS) has been used to study the temperature-dependent refractive index, absorption coefficient and dielectric constant of polyvinyl chloride/polystyrene (PVC/PS) blends in frequency range of 0.2–1.8 THz. Moreover, the Sellmeier and thermo optic coefficients of PVC/PS blends with different weight ratios have been explored in the temperature range of 25–80 °C. These parameters are used to evaluate the dispersion properties of these blends in the observed frequency range. A clear indication of temperature dependence on the values of refractive index and the real dielectric constant of these blends have been observed. Their values decrease linearly with increasing temperature up to 80 °C. Whereas, no noticeable change has been observed in the imaginary dielectric constant and the absorption coefficient. These results provide a database of temperature-dependent optical and dielectric parameters of PVC/PS polymer blends for their efficient utilization for device fabrication in THz technology.

Comprehensive Investigation of Ti-Doped Sr3CoSb2O9 Triple Perovskite: Structural, Morphological, Optical, and Dielectric Characteristics

We report a comprehensive investigation of the doped Ti4+ and the pristine Sr3CoSb2O9 triple perovskite material. By conducting a solid-state reaction in the air at room pressure, a stabilized single orthorhombic Immm (SG 71) phase is obtained. For series samples Sr3CoSb2−xTixO9 (x = 0.0, 0.1, 0.3, 0.5), using Rietveld refinements of powdered x-ray patterns, we reach to the conclusion that the Ti4+ doping at B-site has considerable impact on its structural parameters. The microstructure of the series samples was studied using FESEM and associated with EDS mapping for compositional analysis. The optical characteristics studied via optical absorbance measurements indicate that with an increasing doping concentration of Ti4+, the optical bandgap increases for 0.1 sample and then decreases up to 1.50 eV for 0.5 sample. As a result, they can be considered potential candidates for technological applications like photocatalytic systems and solar cells due to their suitable bandgap values and optical absorption-related applications. The FTIR analysis aimed to examine the bond forms and vibrational modes of the synthesized samples. Moreover, the space charge polarization mechanism explains a detailed analysis of temperature-dependent dielectric properties in the 1 KHz-2 MHz frequency range. The dielectric loss behavior is described by the thermally activated relaxation process tailored by the Arrhenius law and characterized by doping Ti4+ ions into the material’s structure. The existence of Co in Co2+ and Co3+ oxidation states, while Sb3+ state is stabilized with doping confirmed by X-ray photoelectron spectroscopy research. The current study thereby advances our knowledge of how these materials’ structural, morphological, optical, and dielectric characteristics are related.

Analysis of the high-temperature transport property in GaN-based single and double heterostructures

GaN-based heterostructures have been proved to be excellent candidates for high-voltage, large-power, high-frequency and high-temperature application fields, thanks to their superior material properties. To further improve the carriers’ confinement, using InGaN channel layer or introducing AlGaN back barrier layer is promoted. These structures are also proved to be favorable for the robust electron mobility at high temperature. However, the reason solely rests on the longitudinal optical (LO) phonon scattering and the behind mechanism is still absent. This work compares the temperature-dependent electronic transport properties in three groups of GaN-based heterostructures, including GaN-based single heterostructure (SH) with/without AlN interlayer, GaN-based SH and double heterostructure (DH), and GaN-based DH with AlGaN or GaN channel layer. The advantageous high-temperature mobility is attributed to the enhanced LO phonon energy in heterostructures. By self-consistent calculations of the Schrödinger–Poisson equations, a close relation between the narrow electron distribution in the quantum well with the high LO phonon energy, and consequently superior mobility at high temperature is implied. The results provide a simple strategy for the optimized design of the GaN-based heterostructures outperforming at high temperature.

Study of Structural, Magnetic, and Thermoelectric Properties of Rare Earth-based CdCe2X4 (X = S, Se, Te) Spinels for Spintronic and Energy Harvesting Applications

Controlling the spin degree of freedom in electronics paves the way for novel approaches to employ, relocate, and store data at accelerated rates. In this regard, an in-depth examination of the structural, electronic, magnetic, and transport behaviour of CdCe2X4 (X = S, Se, Te) is undertaken. It is observed that ferromagnetic states exhibit higher energy release compared to antiferromagnetic states. Room temperature ferromagnetism is characterized by the Tc and spin-polarized density of states. The underlying mechanism in ferromagnetic behaviour is elicited in terms of crystal field energy, double exchange mechanism, exchange energies, and constants. The magnetic moment shift from Ce to other NM sites (Cd, X) is identified as a mechanism sustaining ferromagnetic character through electron exchange, thereby preventing clustering. Furthermore, the temperature-dependent thermoelectric properties are investigated, encompassing electrical and thermal conductivity, Seebeck coefficient, and power factor, recommending exploration of spinels as potential candidates for sustainable energy devices.

Analysis of visco-inelastic biphasic fluid flow in wire coating process

To ensure the safety of data transmission, wires and fibers undergo a coating process to shield against potential damage. This process is critical in fields such as telecommunications, power transmission, and electronics, where durability and insulation are key factors. The current investigation is focused on the coating process by employing Eyring–Powell fluid in the presence of the magnetic field. The governing equations are developed by employing the biphasic (Buongiorno) model and temperature-dependent thermophysical properties. These equations are subsequently transformed into dimensionless form and tackled numerically. The study extensively explores critical aspects including shear stress rate, flow rate, and heat transfer rate for pertinent parameters. Furthermore, utilizing the response surface methodology, the optimization of shear stress and heat transfer rates in coated wire is pursued. This approach determines optimal levels for the viscosity parameter, Eyring–Powell fluid parameter, and thermophoresis parameter. The analysis concludes that the best outcomes are achieved by minimizing the viscosity parameter while maximizing the Eyring–Powell fluid parameter.

Programable shape recovery properties and snap-through instabilities of viscoelastic and shape-memory NS metamaterials

The combination of smart material and mechanical metamaterial has the potential to bring novel properties and additional functionalities, which, however, has been ignored for a long time. This work numerically, experimentally, and analytically examines the negative stiffness (NS) metamaterials based on shape memory polymers (SMPs) with a focus on the tunable and temperature-dependent properties induced by the interaction of material and geometry nonlinearity. A universal discrete model of a series of shape-memory NS metamaterial is developed by separating the bending effect and stretching effect, where the viscoelastic material is described by the generalized Maxwell-Wiechert model, and an SMP constitutive model is proposed based on multiplicative decomposition of the deformation gradient. The mechanical and shape-memory properties influenced by temperature, geometry, material and loading rate are experimentally observed through relaxation tests and cyclic compression tests. Then the discrete model and finite element analysis (FEA) is adopted to examine the novel mechanical responses in a wide range of parameters. Results show that viscoelasticity and loading rate play a significant role in mechanical responses, and tunable load-capacity and stability can be achieved for shape-memory metamaterial. A phase diagram of different stabilities is constructed showing strictly monotonic, S-shaped, and snapping responses. Additionally, repeated compression and recovery performance proves the possibility of reusable applications. This work provides new opportunities for functional metamaterial to obtain programmable shape recovery and mechanical responses.

Evaluation of 2D Tantalum Carbide MXene for Room to Mid‐temperature Thermoelectric Applications

AbstractTantalum carbide MXene (Ta4C3Tx) were synthesized via HF etching of the Al intermediate layer from the parental tantalum aluminium carbide MAX phase (Ta4AlC3). The structural and vibrational studies confirm the formation of MXene from the MAX phase without disturbing the hexagonal crystal structure. The synthesized samples were analysed using XRD to understand the phase structure. In and out of plane vibrational properties were examined by Raman spectrometer. XPS confirms the successful HF etching of Al in MXene phase and all other elemental configurations. HR‐SEM and HR‐TEM revile the exfoliated layered structure of the MXene and hexagon diffraction pattern of the tantalum carbide MXene sample with increased d‐spacing. The TGA analysis demonstrated the thermal stability of the as‐synthesized post measured compounds. The synthesized tantalum carbide MXene shows stable thermoelectric properties over six thermal cycles. The temperature dependent transport properties were measured from 303 K to 803 K. Ta4C3Tx MXene shows a maximum Seebeck coefficient of 13.8 μV/K and a power factor of 1.88 μW/mK2 with the low lattice thermal conductivity of 5.42 W/mK at 803 K. In this present investigation, Tantalum carbide MXene demonstrated a decent thermoelectric property with high thermal cycling stability.

Spin Texture Engineering by a Temperature Gradient in Ultrathin CoFeB Film

Magnetic texture in a chiral material is touted as one of the next-generation nonvolatile computing elements. Thermal manipulation of magnetic textures attracts considerable attention and has promising applications. Here, the temperature-dependent magnetic properties of Ta/CoFeB/MgO thin film are studied experimentally and theoretically. We report the controllable spin texture distribution with a temperature gradient in the Ta/CoFeB/MgO thin film. The nucleation area could be generated at a certain location through the cooperation of heat and magnetic field. This method offers a way to realize spin texture injection at specific positions in magnetic thin films and devices. This work provides useful guidelines for the thermal control of the spintronic device operation.

Comprehensive study on the temperature-dependent properties of Co0.5Mg0.5FeCrO4 ferrite nanoparticles: experimental and theoretical analyses

Comprehensive study on the temperature-dependent properties of Co0.5Mg0.5FeCrO4 ferrite nanoparticles: experimental and theoretical analyses

Computational analysis of wildland fire resistance for transmission line tower

Finite element (FE) analysis of the transmission towers under a fire event and the accompanying wind is presented. Several key aspects (including temperature-dependent non-linear material properties, geometric non-linearity, member eccentricity due to the single-leg bolted connection, and the temperature-dependent connection behaviour in both the axial and the rotational directions) are considered. A quasi-static analysis is also employed in the FE model using the explicit solver available in Abaqus. The member temperature variation during a realistic fire event is derived analytically based on the fire intensity and the resultant vertical gas temperature distribution so that the effect of the realistic wildland fire can be input as a member temperature profile. First, fire design guidance in terms of the most critical heating and wind pattern, as well as the effect of fire-affected heights are provided based on the case study results. Then, further fire analysis is carried out to investigate the most critical fire scenario and to evaluate the vulnerability of the tower during a realistic fire event. Lastly, an evaluation of a commonly used spray-on thermal insulation and its effectiveness in reducing the member temperature and preserving ultimate strength during a catastrophic wildland fire event are presented. The FE simulations revealed that a 45-degree wind associated with partial side heating leads to a more critical degradation of the overall strength, whereas the effect of fire height is less obvious. In terms of the fire scenario, a longer fire duration associated with a slower wind is more critical for the fire resistance/rating.

Probing the structural, mechanical, electro-magnetic, thermodynamic and thermoelectric properties of inner-transition based RaXO3 (X: Pr and U) cubic perovskites via first principle calculations

Here, we present ab-initio calculations of the structural, mechanical, electronic, magnetic, thermodynamic and thermoelectric properties of two radium-based perovskites by using density functional theory. These compounds are cubic in nature. Computation of tolerance factor, structural optimization by using the equation of state assures the stability of the materials. Further, we have checked the mechanical stability of the materials by computing the different mechanical parameters. The observed data of B/G and Cauchy pressure for the present materials reveals the ductile nature. The spin polarized band structures and density of states illustrate the half-metallic nature of these materials with the band gap of (3.74 and 4.80) eV in spin down channel for RaPrO3 and RaUO3 alloys respectively. The total magnetic moments calculated via GGA and mBJ approximations were found to be integral in nature (1 and 2) μB, for RaPrO3 and RaUO3 alloys respectively which also is an indication of the half-metallic character of these materials. The effect of temperature and pressure on the different thermodynamic properties like the specific heat capacity, thermal expansion and Gruneisen parameter were studied using the quasi-harmonic Debye model. Finally, we have speculated the temperature dependent thermoelectric properties in terms of Seebeck coefficient, electrical conductivity, thermal conductivity and power factor. The summed -up properties suggest the applications of these materials in thermoelectrics, spintronics and thermoelectric generators outlooks.

Energy-based damage assessment method for masonry walls under seismic and fire loads

The evaluation of the out-of-plane (OOP) behavior for infilled walls is a critical aspect of regional seismic and fire resilience assessment. This study presents a detailed finite element (FE) model that comprehensively captures the seismic and fire behaviors of masonry walls. The FE model incorporates key factors governing the thermo-mechanical behavior of masonry walls, including temperature-dependent material properties, nonlinearities in geometry and material, block cracking and crushing, and mortar damage. Then, an energy-based damage criterion is proposed based on the principle of energy conservation, leveraging the combined mixed fracture energy and internal energy of elements. In addition, this study defines the damage levels of masonry walls under OOP loading and fire and determines corresponding damage indices using the proposed energy-based damage criterion. This criterion is further compared with a stiffness-based damage criterion. Finally, the proposed damage assessment method is employed to evaluate the damage evolution of infilled walls under seismic, fire and post-earthquake fire scenarios, and to conduct a fragility analysis. The results demonstrate a high degree of agreement between the predicted and measured damage states of masonry walls under seismic and fire loads. More severe seismic damage does not always result in diminished fire resilience. Evaluating post-earthquake fire damage requires considering the impact of displacement directions caused by earthquakes and fires.

Photothermal impacts induced by laser pulse in a 2D semiconducting medium with temperature-dependent properties under strain–temperature rate-dependent theory

The purpose of this research is to introduce a new model for studying the photothermal process in a 2D semiconducting material with temperature-dependent properties using the recently modified Green and Lindsay theory. The surface absorption fashion generated by a laser pulse is used to heat a medium whose surface is subjected to cooling impact and considered traction free. The integral transformation method is used to attain a general solution via Fourier and Laplace transforms, and the inverse Laplace transform is performed numerically using Riemann sum approximation. A silicon element is utilized to get findings that are graphically displayed as an application in which the consistency of outcomes may be deduced.

Structure and properties of mixed valent CeFe2Al8

Temperature dependent magnetic, electrical transport and thermal properties of polycrystalline orthorhombic CeFe2Al8intermetallic compound have been studied along with its isostructural La counterpart, LaFe2Al8. For the cerium compound, low fielddcmagnetization exhibits an antiferromagnetic like ordering (TN) ∼ 4 K. The main feature of the magnetic susceptibility plot is a broad hump spanning a large temperature range, indicating mixed valence of Ce in the compound, in good agreement with reported literature. However, contrary to the reported observations we find that the mixed valence state is very robust and was evident even up to very high magnetic fields (> 2 T). Further, in this work we report 3d core level photoemission spectra of cerium in CeFe2Al8, to understand the valence state of cerium ions in this system. Additionally, from resistivity measurements it is found that, CeFe2Al8is metallic with no indication of any anomaly, till the lowest temperature of measurement. Specific heat measurements show very low value of heat capacity and electronic contribution. The isostructural La analogue, LaFe2Al8compound shows broadness in susceptibility with maxima around 44 K which may be attributed to ordering of Fe moments. The comparison of Ce and La compounds brings out the role of Fe magnetic moments which may be responsible for competing with cerium moments and resulting in the dilution of long-range magnetic order, also contributing to magnetic frustration in CeFe2Al8.

Pyrazine Dicarboxylic Acid and Phosphite-Bridging Lanthanide-Incorporated Tellurotungstates and Their Fluorescence Performances.

Two pyrazine dicarboxylic acid and phosphite-bridging lanthanide-incorporated tellurotungstates [H2N(CH3)2]12 Na4[Ln4(H2O)2(H2PDBA)2(HPO3)2W6O10][B-α-TeW8O31]4 · 70H2O [Ln = Eu3+ (1), Tb3+ (2); H2PDBA = 2,5-pyrazine dicarboxylic acid) were prepared, which contain four [B-α-TeW8O31]10- subunits and a deca-nuclear heterometallic [Ln(H2O)2(HPO3)2 (H2PDBA)2(W3O5)2]24+ cluster. Strikingly, two H2PDBA ligands connect two equivalent {W3Eu2O5(H2O)(B-α-TeW8O31)2(HPIIIO3)}8- moieties to form the polyanion skeleton, while the phosphite plays a bridging role in joining two lanthanide centers in the {W3Eu2O5(H2O)(B-α-TeW8O31)2(HPIIIO3)}8- moiety. In addition to the fluorescence (FL) properties of 1 and 2 at room temperature, their temperature-dependent FL properties were also investigated. In 80-298 K, FL intensities of 1 and 2 decrease as temperature increases, and their maximum relative sensitivities (Sr) are 3.70 and 1.99% K-1, whereas the minimum temperature uncertainties (δT) are 1.25 and 1.18 K for 1 and 2. In 298-973 K, upon increasing temperature, FL intensities of 1 and 2 initially rise to their maxima at 373 K and subsequently decrease. This is because samples of 1 and 2 undergo dehydration together with amorphization below 473 K and decomposition above this temperature. This work lays a foundation for the development for luminescent thermometers based on lanthanide-incorporated polyoxometalates.

A 36-nucleus silver-thiolate cluster encapsulating double sulfates and co-protected by cyclen

New type of cyclic multi-dentate ligand named, Cyclen (1,4,7,10-tetraazacyclododecane, [12]aneN4), was successfully introduced onto the surface of a 36-nucleus double sulfates templated silver-thiolate cluster [(SO4)2@Ag36(SPhtBu)24(cyclen)4(CF3CO2)6(OH)2] (1). The nanocluster was investigated and characterized by single-crystal X-ray crystallography (SXRD), infrared spectroscopy (IR), X-ray photoelectron spectroscopy (XPS), thermogravimetry (TG), ultraviolet−visible (UV) spectroscopy, and photoluminescence (PL). The cluster shows very good solution stability in four different solvents and excellent thermal stability in the solid-state. It shows orange-red emission in EtOAc/THF/CH2Cl2/CHCl3 at 77 K. The lifetime of 1 in four different solvents is over 140 μs, and the highest quantum yield of 1 is 25.46 %. The nanocluster shows temperature-dependent photoluminescence properties in different solvents, which make them potential candidates in the fields of optical devices for future applications.

A study on solid-shell finite element formulations applied to nonlinear thermoelastic analysis of thin-walled structures

The solid-shell elements have shown great advantages in three-dimensional (3D) finite element (FE) simulation of thin-walled structures. To overcome the numerical lockings for 3D element with a large span-thickness ratio, the assumed natural strain (ANS) method combined by either the hybrid stress (HS) or enhanced assumed strain (EAS) formulations are commonly used. In this work, two types of finite element formulations of the solid-shell elements are developed for nonlinear thermoelastic analysis of thin-walled structures, which are termed as the “ANS+HS” and “ANS+EAS” formulations. Accordingly, two eight-node solid-shell elements (CSSH8 and CSSE8) are developed based on the “ANS+HS” and “ANS+EAS” formulations, respectively. The Green–Lagrange displacement–strain relation is applied to involve the geometrical nonlinearities, and both the thermal expansion and temperature-dependent material properties are considered. Nonlinear thermoelastic equilibrium equations are constructed in the framework of the two types of finite element formulations using the Hellinger–Reissner and conventional variational principles, respectively. The proposed method can easily realize three different coupling analyses for thermal–mechanical loads by modifying the parameters of nonlinear thermoelastic equilibrium equations. Numerical examples demonstrate that the proposed method using CSSH8 and CSSE8 elements traces the nonlinear thermoelastic response of the isogrid stiffened panel as accurately as the shell, solid-shell, and solid elements of ABAQUS. Furthermore, the path-following capability of the proposed method using the CSSH8 with “ANS+HS” formulation is slightly superior to that using the CSSE8 with “ANS+EAS” formulation, but both better than ABAQUS.