Phase Transition Temperature Research Articles

Broad temperature range ferrielectric liquid crystal: Temperature dependencies of dielectric and electro-optical properties

Broad temperature range ferrielectric liquid crystal mixture FerriLCM-1 was previously developed in 2022 (Pozhidaev et al. 2022). In that work dielectric and electro-optical properties of the mixture were studied at room temperature. Electrically induced birefringence index reached 0.01 at a wavelength of 532 nm with response times of 300 μs. In this paper we continue the FerriLCM-1 properties investigation in a wide temperature range from the room ones till the isotropic phase transition temperature. It is found that one of the critical electric fields is almost temperature independent, while the Kerr coefficient of quadratic electro-optical effect in deformed helix ferroelectric (DHF) mode grows with temperature increase. This leads to an increase in the depth of phase modulation. Another critical electric field decreases smoothly with temperature rising. At 47–50 °C two critical electric fields merge, while temperature dependencies of all other dielectric and electro-optical parameters of the mixture are continuous and smooth functions. At about 50 °C the maximum electrically induced birefringence in DHF-mode is ΔneffE=0.022 under the applied electric field E=0.4 V/μm and with 80 μs response time. FerriLCM-1 mixture operating in the DHF-mode exhibits a giant Kerr coefficient of 1700 nm/V2 (or even up to 2900 nm/V2 at λ=400nm) at the temperature of 85 °C combined with a 50 μs response time. This is the highest value of Kkerr coefficient among liquid crystals. All these properties make ferrielectric liquid crystal mixture FerriLCM-1 suitable for solving various problems of phase modulation of light and use in low-voltage devices.

Thermoresponsiveness Across the Physiologically Accessible Range: Effect of Surfactant, Cross-Linker, and Initiator Content on Size, Structure, and Transition Temperature of Poly(N-isopropylmethacrylamide) Microgels.

The influence of surfactant, cross-linker, and initiator on the final structure and thermoresponse of poly(N-isopropylmethacrylamide) (pNIPMAM) microgels was evaluated. The goals were to control particle size (into the nanorange) and transition temperature (across the physiologically accessible range). The concentration of the reactants used in the synthesis was varied, except for the monomer, which was kept constant. The thermoresponsive suspensions formed were characterized by dynamic light scattering, small-angle X-ray scattering, atomic force microscopy, and rheology. Increasing surfactant, sodium dodecyl sulfate content, produced smaller microgels, as expected, into the nanorange and with greater internal entanglement, but with no change in phase transition temperature (LCST), which is contrary to previous reports. Increasing cross-linker, N,N-methylenebis acrylamide, content had no impact on particle size but reduced particle deformability and, again contrary to previous reports of decreases, progressively increased the LCST from 39 to 46 °C. The unusual LCST trends were confirmed using different rheological techniques. Initiator, potassium persulfate, content was found to weakly influence the outcomes. An optimized content was identified that provides functional nanogels in the 100 nm (swollen) size range with controlled LCST, just above physiological temperature. The study contributes chemistry-derived design rules for thermally responsive colloidal particles with physiologically accessible LCST for a variety of biomedical and soft robotics applications.

Thermally Active Medium-Density Fiberboard (MDF) with the Addition of Phase Change Materials for Furniture and Interior Design.

No matter where we reside, the issue of greenhouse gas emissions impacts us all. Their influence has a disastrous effect on the earth's climate, producing global warming and many other irreversible environmental impacts, even though it is occasionally invisible to the independent eye. Phase change materials (PCMs) can store and release heat when it is abundant during the day (e.g., from solar radiation), for use at night, or on chilly days when buildings need to be heated. As a consequence, buildings use less energy to heat and cool, which lowers greenhouse gas emissions. Consequently, research on thermally active medium-density fiberboard (MDF) with PCMs is presented in this work. MDF is useful for interior design and furniture manufacturing. The boards were created using pine (Pinus sylvestris L.) and spruce (Picea abies L.) fibers, urea-formaldehyde resin, and PCM powder, with a phase transition temperature of 22 °C, a density of 785 kg m-3, a latent heat capacity of 160 kJ kg-1, a volumetric heat capacity of 126 MJ m-3, a specific heat capacity of 2.2 kJ kgK-1, a thermal conductivity of 0.18 W mK-1, and a maximum operating temperature of 200 °C. Before resination, the wood fibers were divided into two outer layers (16%) and an interior layer (68% by weight). Throughout the resination process, the PCM particles were solely integrated into the inner layer fibers. The mats were created by hand. A hydraulic press (AKE, Mariannelund, Sweden) was used to press the boards, and its operating parameters were 180 °C, 20 s/mm of nominal thickness, and 2.5 MPa for the maximum unit pressing pressure. Five variants of MDF with a PCM additive were developed: 0%, 5%, 10%, 30%, and 50%. According to the study, scores at the MOR, MOE, IB, and screw withdrawal resistance (SWR) tests decreased when PCM content was added, for example, MOE from 3176 to 1057 N mm-2, MOR from 41.2 to 11.5 N mm-2, and IB from 0.78 to 0.27 N mm-2. However, the results of the thickness swelling and water absorption tests indicate that the PCM particles do not exhibit a substantial capacity to absorb water, retaining the dimensional stability of the MDF boards. The thickness swelling positively decreased with the PCM content increase from 15.1 to 7.38% after 24 h of soaking. The panel's thermal characteristics improved with the increasing PCM concentration, according to the data. The density profiles of all the variations under consideration had a somewhat U-shaped appearance; however, the version with a 50% PCM content had a flatter form and no obvious layer compaction on the panel surface. Therefore, certain mechanical and physical characteristics of the manufactured panels can be enhanced by a well-chosen PCM addition.

Study on Thermophysical Properties and Phase Change Regulation Mechanism of Optically-Controlled Phase Change Materials: Synthesis, Crystal Structure and Molecular Dynamics.

Optically-controlled phase change materials, which are prepared by introducing molecular photoswitches into traditional phase change materials (PCMs), can convert and store solar energy into photochemical enthalpy and phase change enthalpy. However, the thermophysical properties of optically controlled PCMs, which are crucial in the practical, are rarely paid attention to. 4-(phenyldiazenyl)phenyl decanoate (Azo-A-10) is experimentally prepared as an optically-controlled PCMs, whose energy storage density is 210.0 kJ·kg-1, and the trans single crystal structure is obtained. The density, phase transition temperature, thermal conductivity, and other parameters in trans state are measured experimentally. Furthermore, a microscopic model of Azo-A-10 is established, and the thermophysical properties are analyzed based on molecular dynamics. The results show that the microstructure parameter (order parameters) and thermophysical properties (density, radial distribution function, self-diffusion coefficient, phase change temperature, and thermal conductivity) of partially or completely isomerized Azo-A-10, which are challenging to observe in experiments, can be predicted by molecular dynamics simulation. The optically-controlled phase change mechanism can be clarified according to the differences in microstructure. The optically-controlled switchability of thermophysical properties of an optically-controlled PCM is analyzed. This study provides ideas for the improvement, development, and application of optically-controlled PCMs in the future.

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This work presents analytical black hole solutions for a coupled Einstein–Born–Infeld–Scalar gravity system in AdS spacetime with two different non-minimal coupling functions f(z). For both solutions, we establish the regularity of the scalar field and curvature scalars outside the horizon. For one of the considered coupling cases, thermodynamic analysis in the canonical ensemble reveals stability across all temperatures, while the other case exhibits the Hawking/Page phase transition between the stable large phase of the black hole and thermal-AdS. We investigate the effect of the scalar hair parameter and black hole charge on the phase transition temperature and observe that the critical values of the scalar hair and the charge parameters constrain the feasibility of Hawking/Page phase transition.

Thermal performance study of PCM embedded radiant cooling ceiling assisted by infrared-transparent silicon wafers

Phase change materials embedded radiant chilled ceiling (PCM-RCC) systems are great for cutting peak power demand and boosting energy efficiency, but they might not work as well in really humid areas due to condensation issues. Infrared-transparent silicon wafer-assisted PCM-RCC (ISW-assisted PCM-RCC) is proposed to improve the cooling capacity in this study. A heat transfer model of ISW-assisted PCM-RCC is established and its reliability is verified. Effects of thermal conductivity, phase change temperature, and control strategy on the thermal performance of ISW-assisted PCM-RCC are discussed by using the model. The simulation results show that the thermal conductivity of PCM is recommended to be above 0.6 W/(m·K), and the temperature difference between the lower limit of the selected PCM phase transition temperature range and the chilled water temperature should not be less than 1℃. The maximum cooling power of the system is more than 80 W/m2, 46 % higher than the non-condensing cooling capacity of traditional RCC at 70 % relative humidity conditions. Interestingly, the prolonged cold energy storage strategy at night should be avoided which is not friendly to the energy efficiency of the system. In short, the combination with ISW is an effective means to increase the cooling capacity of the PCM-RCC.

Investigation of the effect of martensitic phase transition temperature and Curie temperature difference on magnetic and magnetocaloric properties under low magnetic field on Si-doped Ni-Mn-In Heusler alloys

This study examines the impact of substituting Si for Mn on the structural, magnetic, and magnetocaloric properties of Ni43Mn46−x Si x In11 (x = 0.3 and 0.6) alloys. To this end, a range of analytical techniques are employed, including scanning electron microscopy (SEM), room temperature x-ray powder diffraction (XRD), and magnetization measurements. Above the martensitic transition temperature, the Ni43Mn46−x Si x In11 alloys exhibit cubic L2 1 (space group FM-3M). Below this temperature they adopt a tetragonal L1 0 (space group I4/mmm). The martensitic transition temperature decreased when Si is substituted for Mn. The magnetic field-induced entropy change is calculated from magnetic field-dependent magnetization measurements using Maxwell’s equations. The maximum magnetic field-induced entropy changes for Ni43.16Mn45.56Si0.29In11 and Ni43.51Mn44.82Si0.59In11 alloys are calculated 8.20 J kg−1K−1 and 3.15 J kg−1 K−1, respectively, in the vicinity of the magnetostructural phase transition for a magnetic field change of 18 kOe. It is demonstrated that the temperature differential between the high-temperature austenite phase's Curie point (T C ) and the mean martensitic transformation temperature (T M ), namely (T M -T C ), influences the martensitic transition temperatures and, consequently, on the magnetic field-induced entropy change (ΔS M ).

First-principles study of non-linear thermal expansion in cadmium titanate by molecular dynamics incorporating nuclear quantum effects

First-principles molecular dynamics (FPMD) simulations were applied for analyzing structural evolutions around the paraelectric-ferroelectric phase transition temperature in the perovskite-type cadmium titanate, CdTiO3. Since the phase transition is reported to occur at the low temperature around 80 K, the quantum thermal bath (QTB) method was utilized in this study, which incorporates the nuclear quantum effects (NQEs). The structural evolutions in the QTB-FPMD simulations are in reasonable agreement with the experimental results, by contrast in the conventional FPMD simulations using the classical thermal bath (CTB-FPMD). Especially, the non-linear thermal expansion of lattice constants around the phase transition temperature was well reproduced in the QTB-FPMD with the NQEs. Thus, the NQEs are of importance in phase transitions at low temperatures, particularly below the room temperature, and the QTB is useful in that it incorporates the NQEs in MD simulations with low computational costs comparable to the conventional CTB.

Hydrophobic bio-composites of stearic acid starch esters and micro fibrillated cellulose processed by extrusion

Fatty acid starch esters are potential candidates for obtaining hydrophobic starch-based materials. The objective was to evaluate thermoplastic bio-composites with stearic acid cassava starch esters (SAE) as matrices reinforced with micro fibrillated cellulose (MFC). SAE with 0.11 and 0.14 of DS and native cassava starch were processed with 5 % and 10 % MFC by extrusion and then thermo-compression to obtain bio-composite films. Performance of bio-composites as a function of the degree of substitution (DS) of starch esters and the content of MFC, was evaluated. Starch esterification reduced the crystalline phase and glass transition temperature of bio-composites, as confirmed by structural and thermal analysis. The increase of DS reduced the degradation temperature, which was compensated by adding MFC, favoring thermal stability. The hydrophobicity of films increased with the degree of starch esterification. Treatments with 0.14 DS formed stiffer and less tensile strength films. There was an increase in the modulus of elasticity and a reduction in elongation by increasing MFC. Fracture microscopy of films showed defects by incomplete starch melting and lack of interfacial adhesion with MFC caused by starch esterification. Starch esterification and MFC dispersion were determinants in the performance of bio-composites. In consequence, starch esterification with stearic acid reduces the compatibility with the MFC and, consequently, the performance of composites.

A Multiferroic Spin-Crossover Molecular Crystal.

Spin-crossover (SCO) ferroelectrics with dual-function switches have attracted great attention for significant magnetoelectric application prospects. However, the multiferroic crystals with SCO features have rarely been reported. Herein, a molecular multiferroic Fe(II) crystalline complex [FeII(C8-F-pbh)2] (1-F, C8-F-pbh = (1Z,N'E)-3-F-4-(octyloxy)-N'-(pyridin-2-ylmethylene)-benzo-hydrazonate) showing the coexistence of ferroelectricity, ferroelasticity, and SCO behavior is presented for the first time. By H/F substitution, the low phase transition temperature (270K) of the non-fluorinated parent compound is significantly increased to 318K in 1-F, which exhibits a spatial symmetry breaking 222F2 type ferroelectric phase transition with clear room-temperature ferroelectricity. Besides, 1-F also displays a spin transition between high- and low-spin states, accompanied by the d-orbital breaking within the t2g 4eg 2 and t2g 6eg° configuration change of octahedrally coordinated FeII center. Moreover, the 222F2 type ferroelectric phase transition is also a ferroelastic one, verified by the ferroelectric domains reversal and the evolution of ferroelastic domains. To the knowledge, 1-F is the first multiferroic SCO molecular crystal. This unprecedented finding sheds light on the exploration of molecular multistability materials for future smart devices.

Intrinsic Out-Of-Plane and In-Plane Ferroelectricity in 2D AgCrS2 with High Curie Temperature.

2D ferroelectric materials have attracted extensive research interest due to potential applications in nonvolatile memory, nanoelectronics and optoelectronics. However, the available 2D ferroelectric materials are scarce and most of them are limited by the uncontrollable preparation. Herein, a novel 2D ferroelectric material AgCrS2 is reported that are controllably synthesized in large-scale via salt-assist chemical vapor deposition growth. By tuning the growth temperature from 800 to 900°C, the thickness of AgCrS2 nanosheets can be precisely modulated from 2.1 to 40nm. Structural and nonlinear optical characterizations demonstrate that AgCrS2 nanosheet crystallizes in a non-centrosymmetric structure with high crystallinity and remarkable air stability. As a result, AgCrS2 of various thicknesses display robust ferroelectric polarization in both in-plane (IP) and out-of-plane (OOP)directions with strong intercorrelation and high ferroelectric phase transition temperature (682 K). Theoretical calculations suggest that the ferroelectricity in AgCrS2 originates from the displacement of Ag atoms in AgS4 tetrahedrons, which changes the dipole moment alignment. Moreover, ferroelectric switching is demonstrated in both lateral and vertical AgCrS2 devices, which exhibit exotic nonvolatile memory behavior with distinct high and low resistance states. This study expands the scope of 2D ferroelectric materials and facilitates the ferroelectric-based nonvolatile memory applications.

Signature of nano alumina condensation during metal combustion

The work is focused on thermal radiation originating from aluminum oxide nanoparticles formed during the combustion of an aluminum and copper oxide (Al/CuO) thermite. The light emission signature allows for the identification of condensation features important for the global energy balance of burning metal-containing systems. From a fundamental science perspective, identifying light emission signatures associated with phase changes, and in particular, with condensation that is accompanied by high energy release, will lead to new knowledge with widespread applications. The recently developed calibration-free pyrometry approach is used to isolate the radiation of interest during combustion. Processing the obtained spectra made it possible to detect the solidification of the resulting nano alumina. Knowledge of the phase transition temperature enabled the determination of the temporal behavior of the absolute temperature of aluminum oxide nanoparticles during their formation by condensation from gaseous metal suboxides. This ability to measure absolute temperature, as opposed to its reciprocal value available with the original calibration-free pyrometry approach, further enhances the diagnostic method's capabilities. The general implications of revealed peculiarities of nano alumina formation for detailed modeling of the combustion of metal-containing systems are discussed.

Synergistic effect of TiO2 nanoparticles and poly (ethylene-co-vinyl acetate) on the morphology and crystallization behavior of polylactic acid

The impact of adding ethylene vinyl acetate copolymer (EVA 80) and 1 wt% TiO2 nanoparticles on the morphology and crystallization behavior of poly(lactic acid) blends was investigated using DSC, SEM, and POM. Thermal analysis revealed the enhancement of crystallinity of PLA in the presence of TiO2 and higher EVA 80 content in the blend. The PLA and EVA 80 components showed compatibility, as evidenced by the shift of the glass transition temperatures of the PLA phase in the blend to lower values compared to neat PLA. The lower temperature shift of the cold crystallization of the PLA and the formation of the small spherulites of the PLA in the blends indicated that the EVA 80 and TiO2 act as a nucleating agent for crystallization. The non-isothermal crystallization parameters of the composites were evaluated using Avrami's modified model, the MO approach, and Friedman’s isoconversional method. The Avrami’s modified rate constant (K) and the effective activation energy values significantly increased with the incorporation of EVA 80 and TiO2 nanoparticles. Furthermore, the thermogravimetric analysis (TGA) showed improved thermal stability of PLA by adding EVA 80 and TiO2.

Study on Characterization of Phase Transition in Continuous Cooling of Carbon Steel Using In Situ Thermovoltage Measurement

In this paper, a self-designed and enhanced thermovoltage measuring device was built to capture thermovoltage curves of 45 steel during continuous cooling. The phase zones of the thermovoltage curve were interpreted based on the Engel–Brewer electron theory and Fe-Fe3C phase diagram. The results show that the curve was stratified into three homogeneous phase zones and two-phase transition zones as follows: Zone Ι: single-phase austenite (A) zone; Zone III: austenite and ferrite (A+F) homogeneous phase zone; Zone V: ferrite and pearlite (P+F) homogeneous phase zone; Zone II: austenite to ferrite (A-F) phase transition zone; and Zone IV: austenite to pearlite (A-P) phase transition zone. Notably, the deflection point marked the transition temperature, which indicates that the thermovoltage curve can quantitatively characterize phase formation and transformation, as well as the phase transformation process. Furthermore, the sample was quenched at the measured ferrite phase transition temperature. Microstructure observations, electron probe microanalyzer (EPMA) and microhardness measurements corroborated our findings. Specifically, our experiments reveal ferrite precipitation first from the cold end at the phase transition temperature, leading to increased carbon content in adjacent austenite. The results of this study achieved the in situ characterization of bulk transformations during the materials heat treatment process, which expands the author’s research work conducted previously.

Microgels based on thermo‐responsive poly(N‐isopropylacrylamide) as sorbent of bisphenol A and parabens in water

AbstractSmart microgels can be used as sorbents, possessing high surface area and rapid stimuli‐responsiveness. A series of poly(N‐isopropylacrylamide) (pNIPAM) and pNIPAM‐co‐starch nanoparticles (pNIPAM‐co‐SNPs) thermo‐responsive microgels were synthesized, presenting different hydrophilic/hydrophobic behavior according to the composition. The adsorption studies were carried out for methylparaben (MPB), ethylparaben (EPB), propylparaben (PPB), butylparaben (BPB), and bisphenol A (BPA), and the extraction and desorption efficiency were determined by high‐performance liquid chromatography and spectrophotometric detection (HPLC‐UV). The effect of microgel phase transition according to the temperature and the copolymerization with SNPs in each sorptive step was investigated. The extraction of less polar compounds (BPA, PPB, and BPB) above the volume phase transition temperature (VPTT) was favored, driven by a predominant hydrophobic interaction. According to microgel composition, the desorption capacity as a function of temperature can be influenced by hydrophilic interactions and water competition. Molecular dynamics (MD) simulations and binding free energy calculations were performed to provide theoretical evidence about binding energies between pNIPAM and BPA, which experimentally showed the best extraction efficiency results. These findings may provide a strategy for designing high‐performance sorptive phases that could remove hydrophilic and hydrophobic compounds from water and a hypothesis about the driving forces of such processes.

Phase transition and gel properties of chemically modified cassava starch in choline acetate and water mixtures

This work studied the phase transition and gel properties of cassava starch in aqueous choline acetate ([Ch][OAc]) solution at different [Ch][OAc]:water weight ratios. The paste viscosity and gel strength followed a similar pattern to the starch phase transition temperature, increasing at a 2:3 [Ch][OAc]:water ratio and then decreasing at 3:2 and 4:1 ratios. However, the mobility of free water in the starch gel decreased as the [Ch][OAc]:water ratio increased. At the same [Ch][OAc]:water ratios, acetylated cassava starch (ACS) underwent phase transition more easily than native cassava starch (NCS), leading to greater granule destruction. Nevertheless, ACS gels displayed more viscous-dominated rheological behavior, lower paste viscosity, viscoelasticity, and weaker water-holding capacity (WHC) than NCS gels. In contrast, cross-linked cassava starch (CCS) gels had higher paste viscosity, gel viscoelasticity, and WHC. However, at a 4:1 [Ch][OAc]:water ratio, the viscoelasticity of CCS gel was lower than NCS gel, and the differences in WHC were minimal, likely due to the incomplete phase transition of especially CCS under this condition. Our findings show that starch chemical modification significantly affects phase transition behavior and gel properties in [Ch][OAc]:water mixtures, with outcomes influenced by the viscosity of the aqueous [Ch][OAc] solution and the interaction between [Ch][OAc] and water.

Rationally Integrating Charge-Transfer Cocrystal and Ni(II) Organometallics for Visualized Photo/Thermochromic Sensors.

Smart materials demonstrate fascinating responses to environmental physical/chemical stimuli, including thermal, photonic, electronic, humidity, or magnetic stimuli, which have attracted intensive interest in material chemistry. However, their limited/harsh stimuli-responsive behavior or sophisticated postprocessing leads to enormous challenges for practical applications. Herein, we rationally designed and synthesized thermochromic Ni(II) organometallic [(C2H5)2NH2]2NiCl4-xBrx via a facile mechanochemical strategy, which demonstrated a reversible switch from yellow to blue color with a tunable phase-transition temperature from 75.6 to 61.7 °C. The simple electrospinning technology was applied to fabricate thermochromic Ni(II) organometallic-based nanofiber membranes for temperature monitoring. Furthermore, the organic charge-transfer cocrystal with a wide spectral absorption of 300-1950 nm and a high-efficiency photothermal conversion was combined with thermochromic Ni(II) organometallics for the desired dual-stimuli photo/thermochromism. This work supplies a new strategy for realizing multiple stimuli-responsive applications, such as thermal/light sensor displays and information storage.

PHASE TRANSFORMATIONS OF SILICA IN VEIN QUARTZ OF THE TULAKUL DEPOSIT

The results of the study of vein quartz from the Tulakul deposit, which are a potential source of high-purity quartz raw materials, are presented. A brief description of the most promising deposits of vein quartz is given. Thermal studies of vein quartz of the Tulakul birthplace have been carried out. Stability temperatures and phase transition temperatures are established.

A theoretical investigation on equilibrium magnetic properties in nanowire arrays

The paper focuses on the study of an Ising nanowire array composed of core/shell-structured single nanowires placed at the edges of a square lattice. The phase transition temperature, at which a transition occurs in the magnetic properties, is obtained using effective field theory for two interacting individual nanowires. To understand how the interaction affects the magnetic, we defined the exchange interaction (JR) between the single nanowires. This interaction is assigned both positive and negative values to reveal the ferromagnetic and antiferromagnetic characteristics of the system. Our results revealed that the exchange interaction between individual nanowires significantly influences the magnetic properties of the system.

The effect of crosslinking rate on the thermal and mechanical properties of liquid crystal elastomer: A molecular dynamics study

Crosslinking rate is an important factor affecting thermo-mechanical properties of liquid crystal elastomers (LCEs). In this paper, molecular models for LCEs with different crosslinking rates are firstly established, and then the thermo-phase transition process is simulated. The variation of volume fraction and energy in each molecular component during the phase transition are given, and the relationship between phase transition temperature and crosslinking rate is formulated. Modulus contour map for LCEs with different crosslinking rates are plotted to see the influence of crosslinking rate on their mechanical properties. The results indicate that the inflection point on the free volume-temperature curve corresponds to the glass transition temperature at which the rotation and twisting of mesogen and PMHS is strengthened. Crosslinking enhances molecular bonds between mesogen and PMHS which results in longer glassy plateau, and moderate crosslinking benefits the improvement of elastic moduli of LCEs. The results obtained in the paper provide a guidance for the molecular design of liquid crystal elastomers.