Phase Structure Research Articles

Taking a Tailored Approach to Material Design: A Mechanistic Study of the Selective Localization of Phase-Separated Graphene Microdomains.

To achieve multifunctional properties using nanocomposites, selectively locating nanofillers in specific areas by tailoring a mixture of two immiscible polymers has been widely investigated. Forming a phase-separated structure from entirely miscible molecules is rarely reported, and the related mechanisms to govern the formation of assemblies from molecules have not been fully resolved. In this work, a novel method and the underlying mechanism to fabricate self-assembling, bicontinuous, biphasic structures with localized domains made up of amine-functionalized graphene nanoplatelets are presented, involving the tailoring of compositions in a liquid processable multicomponent epoxy blend. Kinetics studies were carried out to investigate the differences in reactivity of various epoxy-hardener pairs. Molecular dynamics simulations and in situ optical photothermal infrared spectroscopy measurements revealed the trajectories of different components during the early stages of polymerization, supporting the migration (phase behavior) of each component during the curing process. Confirmed by the phase structure and the correlated chemical maps down to the submicrometer level, it is believed that the bicontinuous phase separation is driven by the change of the miscibility between various building blocks forming during polymerization, leading to the formation of nanofiller domains. The proposed morphology evolution mechanism is based on combining solubility parameter calculations with kinetics studies, and preliminary experiments are performed to validate the applicability of the mechanism of selectively locating nanofillers in the phase-separated structure. This provides a simple yet sophisticated engineering model and a roadmap to a mechanism for fabricating phase-separated structures with nanofiller domains in nanocomposite films.

Structural disorder-induced topological phase transitions in quasicrystals

Structural disorder-induced topological phase transitions in quasicrystals

All-Inorganic Halide Perovskites Boost High-Ranged Figure-of-Merit in Bi0.4Sb1.6Te3 for Thermoelectric Cooling and Low-Grade Heat Recovery.

The all-inorganic halide perovskite CsPbX3 (X = Cl, Br, or I) offers various advantages, such as tunable electronic structure and high carrier mobility. However, its potential application in thermoelectric materials remains underexplored. In this study, we propose a simple yet effective method to synthesize a CsPbX3/Bi0.4Sb1.6Te3 (BST) nanocomposite by sintering a uniformly mixed raw powder. The intrinsic excitation of the BST system is suppressed by exploiting the rich phase structure and tunable electrical transport properties of CsPbX3, and the thermoelectric properties were synergistically optimized. Notably, for CsPbI3, its phase-transition-induced dislocation arrays together with low group velocities drastically reduce thermal conductivity. As a result, the composite achieves an ultrahigh average figure-of-merit (ZT) of 1.4 from 298 to 523 K. The two-pair TE module demonstrates a superior conversion efficiency of 7.3%. This study expands the potential applications of inorganic halide perovskites, into thermoelectrics.

Phase structure, microstructure, electrical and energy storage properties of SBNLT lead free ceramics with Zr4+ substituted into B-sites

Phase structure, microstructure, electrical and energy storage properties of SBNLT lead free ceramics with Zr4+ substituted into B-sites

Holographic reflected entropy and islands in interface CFTs

We investigate the reflected entropy for various mixed state configurations in the two dimensional holographic conformal field theories sharing a common interface (ICFTs). In the AdS3/ICFT2 framework, we compute the holographic reflected entropy for the required configurations in the vacuum state of the ICFT2 which is given by twice the entanglement wedge cross section (EWCS) in a spacetime involving two AdS3 geometries glued along a thin interface brane. Subsequently, we evaluate the EWCS in the bulk geometry involving eternal BTZ black strings with an AdS2 interface brane, which is dual to an ICFT2 in the thermofield double (TFD) state. We explore the system from a doubly holographic perspective and determine the island contributions to the reflected entropy in the two dimensional semi-classical description involving two CFT2s coupled to an AdS2 brane. We demonstrate that the results from the island formula match precisely with the bulk AdS3 results in the large tension limit of the interface brane. We illustrate that the phase structure of the reflected entropy is quite rich involving many novel induced island phases and demonstrate that it obeys the expected Page curve for the reflected entropy in a radiation bath coupled to the AdS2 black hole.

The Butterfly Effect: Multifaceted Consequences of Sensitizer Concentration Change in Phase Transition-based Luminescent Thermometer of LiYO2:Er3+,Yb3.

In response to the ongoing quest for new, highly sensitive upconverting luminescent thermometers, this article introduces, for the first time, upconverting luminescent thermometers based on thermally induced structured phase transitions. As demonstrated, the transition from the low-temperature monoclinic to the high-temperature tetragonal structures of LiYO2:Yb3+,Er3+ induces multifaceted modification in the spectroscopic properties of the examined material, influencing the spectral positions of luminescence bands, energy gap values between thermally coupled energy levels, and the red-to-green emission intensities ratio. Moreover, as illustrated, both the color of the emitted light and the phase transition temperature (from 265 K, for LiYO2:Er3+, 1%Yb3+, to 180 K, for 10%Yb3+), and consequently, the thermometric parameters of the luminescent thermometer can be modulated by the concentration of Yb3+ sensitizer ions. Establishing a correlation between the phase transition temperature and the mismatch of ion radii between the host material and dopant ions allows for smooth adjustment of the thermometric performance of such a thermometer following specific application requirements. Three different thermometric approaches were investigated using thermally coupled levels (SR = 1.8%/K at 180 K for 1%Yb3+), green to red emission intensities ratio (SR = 1.5%/K at 305 K for 2%Yb3+), and single band ratiometric approach (SR = 2.5%/K at 240 K for 10%Yb3+). The thermally induced structural phase transition in LiYO2:Er3+,Yb3+ has enabled the development of multiple upconverting luminescent thermometers. This innovative approach opens avenues for advancing the field of luminescence thermometry, offering enhanced relative thermal sensitivity and adaptability for various applications.

Topological phase transition and tunable surface states in YBi.

A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides has stimulated intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to exhibit XMR up to 105% but its Topological properties still need clarification. Here we use the hybrid density functional theory to probe the structural, electronic, and topological properties of YBi in detail. We observe that YBi is topologically trivial semimetal at ambient pressure which is in accordance with reported experimental results. The topological phase transitions i.e., trivial to non-trivial are obtained with volumetric pressure of 6.5 GPa and 3% of epitaxial strain. This topological phase transitions are well within the structural phase transition of YBi (24.5 GPa). The topological non-trivial state is characterized by band inversions among Y-d band and Bi-p band at Γ- and X-point which is further verified with the help of surface band structure along (001) plane. The Z2 topological invariants are calculated with the help of product of parities and evolution of Wannier charge centers. The occurrence of non-trivial phase in YBi with a relatively small epitaxial strain, which a thin film geometry can naturally has, make it an ideal candidate to probe inter-relationship between XMR and non-trivial topology.

Understanding the Impact of Chain Mobility on Conformational Evolution and Kinetics of Mesophase Formation in Poly(ʟ-lactide) under Low-Pressure CO2

Although the mesomorphic phase as an intermediate state has been introduced to understand polymer crystallization, the understanding of the mesomorphic phase is far from complete. Here, the effect of chain mobility on the mesophase structuring in melt-quenched poly(ʟ-lactide) (PLLA) treated in low-pressure CO2 at 1.6–2.0 MPa and 0 °C was investigated using infrared (IR) spectroscopy, differential scanning calorimetry (DSC), and atomic force microscopy (AFM). The IR and AFM results demonstrated that the final degree of order and the kinetics of structural evolution during the CO2-induced mesophase formation were critically dependent on the CO2 pressure. This was attributed to the distinct dynamics of conformational evolution (gg to gt conformer transition) due to the different CO2 pressures. The thermal behavior from the DSC results showed that CO2 pressure dominated both the scale and dynamics of the chain motion of PLLA. At a lower CO2 pressure of 1.6 MPa, smaller-scale segmental motion was not replaced by the larger-scale cooperative motion that occurred at a relatively higher CO2 pressure of 2 MPa, which was favorable for faster mesophase formation. Consequently, by inhibiting direct crystallization under limited mobility conditions, it was demonstrated that varying the chain mobility controlled by CO2 pressure and thus CO2 solubility impacted the dynamics of the mesophase formation of PLLA. The present results have implications for understanding the role of chain mobility in determining the intermediate structural phases in semicrystalline polymers.

Multi-scale study on strength development, hydration behavior and phase evolution of recycled powder multi component cementitious materials

Recycled powder (RP) is considered to be a successful low-carbon alternative to ordinary Portland cement (OPC). However, the microstructure and synergistic mechanism of RP multi-component cementitious materials (RP-MCCM) after physical activation are still unclear. The purpose of this study is to study the strength development, hydration and phase structure evolution of MCCM by constructing RP-MCCM. When the content of RP after grinding activation is 30% (C70RG30), its 28 days compressive strength is increased by 7.6% on the basis of non-activation. Compared with the ternary system of RP and FA mixed with 15% (C70RG15F15), its 28 days compressive strength increased by 8.08%. After RP incorporation, the Al-OH is enhanced, the C-O and CO32- bonds peaks become narrower, and the S is evenly distributed, which is beneficial to the increase of the AFt and the CaCO3 content, but weakens the C-S-H and C-A-H phases. In the C70RG15F15 ternary system, CaCO3, Ca(OH)2, and SiO2 nanostructures are tightly bonded together without obvious faults, which improves the structural compactness and strength. RP grinding activation is mainly manifested in surface improvement, internal C-S-H activation and increase of active sites.

Recycling of waste coffee grounds as a photothermal material modified with ZnCl2 for water purification

The aim of this study was to develop a photothermal material modified with carbonization and ZnCl2 impregnation and supported by polyvinyl alcohol (PVA) for water purification using the waste coffee grounds. Scanning electron microscopy (SEM) characterization of the prepared material revealed that a significant surface modification was achieved due to the carbonization and ZnCl2 impregnation. X-ray diffraction analysis (XRD) pattern of the samples showed two broad peaks at 18.4° and 22.2°, this is due to the crystal planes of β-crystal phase structure, which indicates the existence of strong hydrogen bonds between the micro-structures and therefore less suspectable to chemical attack. Additionally, thermogravimetric analysis (TGA) result suggests a slight mass reduction between the temperature range of 65–75 °C implying the thermal stability of the prepared material. The produced modified material had a photothermal conversion efficiency of 74% and could produce vapor at a rate of 1.12 kg/m2h under 980 W/m2 irradiation at 1 sun. A significant reduction in Cu2+ ion concentration (83%), turbidity (91%), total dissolved solids (TDS) (61%), microbial load (95.6%), and total hardness (41.2%) were achieved. Therefore, waste coffee grounds can be considered as a future eco-friendly and low-cost candidate for water purification.

High-Resolution 17O Solid-State NMR as a Unique Probe for Investigating Oxalate Binding Modes in Materials: The Case Study of Calcium Oxalate Biominerals.

Oxalate ligands are found in many classes of materials, including energy storage materials and biominerals. Determining their local environments at the atomic scale is thus paramount to establishing the structure and properties of numerous phases. Here, we show that high-resolution 17O solid-state NMR is a valuable asset for investigating the structure of crystalline oxalate systems. First, an efficient 17O-enrichment procedure of oxalate ligands is demonstrated using mechanochemistry. Then, 17O-enriched oxalates were used for the synthesis of the biologically relevant calcium oxalate monohydrate (COM) phase, enabling the analysis of its structure and heat-induced phase transitions by high-resolution 17O NMR. Studies of the low-temperature COM form (LT-COM), using magnetic fields from 9.4 to 35.2 T, as well as 13C-17O MQ/D-RINEPT and 17O{1H} MQ/REDOR experiments, enabled the 8 inequivalent oxygen sites of the oxalates to be resolved, and tentatively assigned. The structural changes upon heat treatment of COM were also followed by high-resolution 17O NMR, providing new insight into the structures of the high-temperature form (HT-COM) and anhydrous calcium oxalate α-phase (α-COA), including the presence of structural disorder in the latter case. Overall, this work highlights the ease associated with 17O-enrichment of oxalate oxygens, and how it enables high-resolution solid-state NMR, for "NMR crystallography" investigations.

The influence of thermo-electromechanical coupling on the performance of lead-free BNT-PDMS piezoelectric composites

In recent times, there have been notable advancements in haptic technology, particularly in screens found on mobile phones, laptops, light-emitting diode (LED) screens, and control panels. However, it is essential to note that the progress in high-temperature haptic applications is still in the developmental phase. Due to their complex phase and domain structures, lead-free piezoelectric materials such as Bi0.5Na0.5TiO3 (BNT)-based haptic technology behave differently at high temperatures than in ambient conditions. Therefore, it is essential to investigate the aspects of thermal management and thermal stability, as temperature plays a vital role in the phase and domain transition of BNT material. A two-dimensional thermo-electromechanical model has been proposed in this study to analyze the thermal stability of the BNT-PDMS composite by analyzing the impact of temperature on effective electromechanical properties and mechanical and electric field parameters. However, the thermo-electromechanical modelling of the BNT-PDMS composite examines the macroscopic effects of the applied thermal field on mechanical and electric field parameters, as phase change and microdomain dynamics are not considered in this model. This study analyzes the impact of thermo-electromechanical coupling on the performance of the BNT-PDMS composite compared to conventional electromechanical coupling. The results predicted a significant improvement in piezoelectric response compared to electromechanical coupling due to the increased thermoelectric effect in the absence of phase change and microdomain switching for temperature boundary conditions below depolarization temperature ( Td∼200∘ C for pure BNT material).

Impact of COVID-19 on the primary level teaching-learning process in rural India

PurposeCOVID-19 outbreak impacts people globally. It is not simply a global health matter; it has a terrible influence on the social life of humans, counting the worldwide education structure and other phases of present social configurations. Therefore, the present study's objective is to identify the impact of COVID-19 on the online education approach in teachers' perceptions.MethodologyThe study performs a mixed research approach for evaluating the teachers' perspectives in the online education system. The quantitative data are collected with the support of a questionnaire from 175 respondents (Public School teachers), and in-depth telephonic interviews are conducted among 25 schoolteachers using a semi-structured questionnaire for qualitative data. The quantitative analysis is performed using Statistical Package for Social Sciences (SPSS), and the qualitative analysis is coded and analyzed thematically.FindingsThe quantitative results show that the COVID-19 pandemic negatively impacted the online teaching method; teachers' adaptation here seems low. In contrast, communication with school leaders is provided a clear view of online teaching methods. The key findings from the qualitative analysis show that the adaptation online education system is complex owing to various struggles. Some institutions facilitate training sessions to teach in a range of adopting the online education system. Finally, the teachers need help making students actively participate in online classes.DiscussionThe study conducts original survey through both interview and questionnaire. The results are determined through thematic and data analysis.

Development of NiCrFeCoBX eutectic high entropy alloy coating by laser cladding: Investigation of microstructural, solidification, corrosion, and wear properties

Developing protective coatings resistant to corrosion and wear has always been a challenge in various industries. In this work, we processed NiCrFeCoBx (x = 0.1, 0.2, 0.3, 0.4, 0.5, 0.6) high-entropy alloy by laser cladding on a GTD-111 superalloy. At B ≤ 0.3, the microstructure of the coating consisting of inter-dendritic FCC1 and FCC2 lamellae coupling was confirmed by XRD and SEM analysis. By increasing the value of B (B≥ 0.4), a coating with the phase structures of FCC1, FCC2, and MXBY was identified. The presence of Cr-rich borides (MXBY) was attributed to the enrichment of the eutectic composition with B and its segregation into interdendritic regions. With increasing B, more areas were created for inhomogeneous nucleation of dendrites from the melt, resulting in a finer eutectic structure with a higher volume fraction. The comparison between B0.1 and B0.6 samples showed that the hardness increased from 240 HV to 603 HV and the coefficient of friction decreased from 0.63 to 0.42. Raising the B value led to a drop in the corrosion current potential of the NiCrFeCoBX coating from −0.456 V to −0.895 V in a 3.5 % NaCl solution. Additionally, this shift altered the corrosion mechanism from pitting to intergranular corrosion. This was attributed to the high surface energy of the eutectic phase and the intensification of galvanic corrosion.

Molecular Intercalation‐Induced Two‐Phase Evolution Engineering of 1T and 2H‐MS2 (M = Mo, V, W) for Interface‐Polarization‐Enhanced Electromagnetic Absorbers

AbstractPolarization at interfaces is an important loss mechanism for electromagnetic wave (EMW) attenuation, though the motion behavior of carriers in interfaces composed of different types of conductors has yet to be investigated. Tuning the phase structure of transition metal dichalcogenides (TMDs) MS2 (M = Mo, V, W) by organics small molecule intercalation to achieve the modulation of interfacial types is an effective strategy, where 1T‐MS2 exhibits metallic properties and 2H‐MS2 has semiconducting properties. To exclude the contribution of the intrinsic properties of TMDs materials, three TMDs (MoS2, VS2, and WS2), which also possess phase transitions, are investigated. Among them, the 1T‐MS2 composite exhibits excellent EMW absorption performance under the synergistic effect of interfacial polarization and conduction loss. 1T‐MoS2/MOF‐A exhibits the best EMW absorption performance with an RLmin of −61.07 dB at a thickness of 3.0 mm and an EAB of 7.2 GHz at 2.3 mm. The effectiveness of the modulation of the interfacial polarization using 1T‐phase and 2H‐phase MS2 is demonstrated, which is important for the analysis of the carrier motion behavior during the interfacial loss.

Non-extensive effects on the QCD equation of state and fluctuations of conserved charges within Polyakov quark meson model

The influence of non-extensive Tsallis statistics on the hadron phase structure has been investigated using the Polyakov-quark-meson (PQM) model. The analysis examines the non-extensive effects on the temperature dependence of PQM order parameters, thermodynamic quantities related to the quantum chromodynamics (QCD) equation of state, and fluctuations of conserved charges at varying chemical potentials. The results show that non-extensive effects have the most significant deviations near the crossover region. The pseudo-critical temperature T χ (μ B ) is not a universal constant and decreases with increasing non-extensive q parameter. The chiral phase diagram of the PQM model indicates a decrease in the behavior of the (T χ − μ B ) plane with increasing non-extensive q parameter. The PQM model exhibits good qualitative agreement with lattice QCD calculations. Moreover, these findings suggest the existence of a Tsallis limit, which serves as an alternative to the Stefan–Boltzmann limit for the massless ideal gas. The critical endpoint exhibits lower temperature but higher chemical potential with increasing non-extensive q parameter. Overall, this study highlights the importance of non-extensive Tsallis statistics in characterizing the quark-hadron phase structure of the PQM model and contributes to a deeper understanding of non-extensive effects in the quark-hadron phase transition.

Laser-beam powder bed fusion of magnetostrictive Fe81Ga19 alloys: parameter optimization, microstructural evolution and magnetostrictive properties

Magnetostrictive Fe-Ga alloys, featuring with good machinability, high Curie temperature, and high permeability, have received increasing attention in fields such as actuators, implants, and energy harvesting. Unfortunately, bulk polycrystalline Fe-Ga alloys usually suffer poor magnetostrictive strains compromised by the randomness of grain structure and the intricate phase constitution. The current study was centered on the fabrication of bulk polycrystalline Fe81Ga19 alloys with tailored grain morphology and phase arrangement utilizing laser-beam powder bed fusion (LPBF) technology. Particular emphasis was laid on investigating the repercussions of LPBF process parameters on the microstructure and magnetostrictive performance. The findings illustrated a non-linear interplay between laser power and the relative density of laser powder bed fusion-fabricated (LPBFed) Fe81Ga19 alloys, marked by an initial augmentation followed by a subsequent decrement. Similarly, a consistent trend was observed for the LPBFed alloys at varying scan speeds. In particular, the LPBFed Fe81Ga19 alloys exhibited a highest density at optimized process parameters (laser power set at 120 W paired with a scan speed of 100 mm s−1) due to suitable laser energy input during LPBF process. It was experimentally shown that elongated columnar grains and disorder A2 phase structures were obtained within the alloys attibutes to the high temperature gradient and rapid cooling kinetics intrinsic to LPBF, contributing to a desirable magnetostrictive strain of ∼87 ppm for bulk polycrystalline Fe81Ga19 alloys. Moreover, a good dynamic magnetostrictive response of the LPBFed alloys was confirmed by the near-synchronous variations between magnetostrictive behavior and alternating magnetic fields. It can be derived from these findings that LPBF process may be a promising method to prepare bulk magnetostrictive Fe-Ga alloys for versatile applications.

Construction of amorphous-RuOx / crystalline-WO3 heterostructures for high-performance triethylamine sensor

The introduction of amorphous phase to form the amorphous/crystalline (A/C) interface for exposing more active sites and enhancing device performance has proven to be an effective means. In this work, amorphous RuOx clusters were synthesized by a thermal annealing method. And then amorphous-RuOx/crystalline-WO3 composite heterostructures were prepared by self-assembling to fabricate gas sensor. This A/C heterostructure-based sensor exhibits a unique hybridized phase structure with abundant phase boundaries by combining crystalline and amorphous properties, which also shows abundant unsaturated active sites and enhanced catalytic performance. The sensor based on amorphous-RuOx clusters/crystalline-WO3 nanosheets showed a good response(∼36) to 10 ppm triethylamine at 140 °C as well as a fast response time (1 s), and lower limit of detection (0.5 ppm). This work provided a high-activity and good-stability A/C gas sensors, which proved the promising future of amorphous materials in gas sensors.

Ferroelectric polymorphic phenomena in the layered antiferromagnet Cu(OH)2

Ferroic orders and their associated structural phase transitions are paramount in the understanding of a multitude of unconventional condensed matter phenomena. On this note, our investigation focuses on the polymorphic ferroelectric (FE) phase transitions of Copper(II) hydroxide, Cu(OH)2, considering an antiferromagnetic ground state. By employing the first-principles studies and group theory analysis, we have provided a systematic theoretical investigation of vibrational properties in the hypothetical Cmcm high-symmetry phase to unveil the symmetry-allowed ferroic phases. We identified a non-polar to polar ( Cmc21 ) phase transition, in which the displacive transformation is primarily responsible for the phase change induced by two B1u ( i.e. Γ2− ) phonon modes within the centrosymmetric phase. We also observed the existence of two polar structures with the same space group and different degrees of polarization ( i.e. Ps = 3.06 µC·cm−2 and Ps = 42.41 µC·cm−2), emerging from the high symmetry non-polar structure. According to the structural analysis the FE order, of a geometric nature, is driven by the Γ2− mode in which the O- and H-sites displacements lead the polar distortion with a minor contribution from the Cu-sites. Interestingly, the 3d 9:Cu2+ Jahn–Teller distortion coupled with the orientational shifts of O–H atoms enhances the polarization.

Effect of MgO on Phase Structure and Evolution of Steelmaking Slag During Cooling

Effect of MgO on Phase Structure and Evolution of Steelmaking Slag During Cooling