Organic-inorganic hybrid perovskites have emerged as a promising category of barocaloric materials owing to their structural versatility and tunable properties. Here, we report the synthesis and characterization of four two-dimensional hybrid perovskites with the general formula (C10H21NH3)2MCl4 (M = Mn, Cu, Co, Zn). Through structural characterization and thermodynamic measurements, we demonstrate that the radius of metal cations significantly influences the geometry of the perovskite framework, which in turn governs both barocaloric and magnetocaloric effects. The Mn- and Cu-based perovskites, with phase-transition temperatures near room temperature, exhibit large barocaloric effects, with pressure-induced entropy changes exceeding 200 J kg−1 K−1 and directly measured adiabatic temperature changes of approximately 20 K under 150 MPa. In addition, perovskites containing magnetic metal ions display magnetocaloric effects, enabling multi-caloric functionality. This work establishes clear structure-property relationships in hybrid perovskites and provides a design strategy for magneto-barocaloric coupled solid-state cooling materials.
Organic–inorganic hybrid perovskites have recently emerged as a promising class of barocaloric materials. The entropy change in such materials mainly originates from the order-to-disorder phase transition of the organic carbon chains. However, the influence of the carbon chain length on the barocaloric performance is rarely discussed in the literature. In this study, we report a series of hybrid perovskites, (CnH2n+1NH3)2CoCl4 (n = 8–14), in order to establish a systematic correlation between chain length and barocaloric effects. We demonstrate that the phase transition temperature (from 347 to 374 K) and entropy change (from 130 to 299 J kg−1 K−1) both increase at longer carbon chains, arising from enhanced intra- and/or inter-layer van der Waals interactions that elevate the energy barrier of the order-to-disorder phase transitions. As a representative member, (C10H21NH3)2CoCl4 has been investigated in detail for crystal structure and barocaloric performance. These findings elucidate the influence of the carbon chain length on the barocaloric effect and provide a strategy for further research on barocaloric properties of organic–inorganic hybrid perovskites.
The tungsten-assisted vacuum distillation technique has emerged as a critical method for high-purity rare-earth metal (e.g., Sc) purification. Nevertheless, the mechanism underlying W-facilitated impurity (e.g., Al) removal remains controversial. Here, by combined first-principles calculations and chemical bonding analyses, the interactions between Sc/W and impurity Al were quantitatively investigated employing the B2-type ScAl and WAl models that were established to approximate local coordination environments during distillation. Results show that both the Sc-Al and W-Al bonds exhibit hybrid covalent-ionic characteristics, in which the ionicity of the Sc-Al bond is higher than that of the W-Al bond. The strength of the W-Al bond, governed by the p-d covalent hybridization, exhibits a 1.6-fold enhancement compared to the Sc-Al interactions, and the W-W bond in the WAl model is also stronger than the Sc-Sc bond in the ScAl model. The higher strengths of both W-Al and W-W bonds make the WAl model a higher cohesive energy against the ScAl model. Nevertheless, unlike the inherent stability of the ScAl model, the WAl model is unstable in thermodynamics and dynamics due to the prominent antibonding states of the Al-Al and W-W bonds near the Fermi level, highlighting that enhanced bonding strength does not necessarily guarantee stability. These quantitative bonding and stability evaluations suggest that the established purification models are not suitable for this study. A novel atomic-scale adsorption-mediated purification model where W preferentially binds Al through strong covalent interactions is proposed. This work provides fundamental insights into the W-facilitated purification process and demonstrates the critical role of orbital-level bonding analysis in high-purity metal purification.
The performance of high-power laser-driven white lighting systems is constrained by non-radiative losses from crystallographic defects in color converters. Here, a flux-assisted spray pyrolysis strategy using NaF is developed to enhance crystallinity and suppress defects in LuAG:Ce films. Films with NaF contents of 0-2.0 wt% were synthesized and annealed at 1500 degrees C. With 1.0 wt% NaF, crystallinity reached 93.1% without secondary phases or changes in Ce3 + valence or oxygen-vacancy concentration. The optimized film delivered 2160.9 lm (+25%), lowered operating temperature by 38.8 degrees C under 36 W center dot mm(-2) blue-laser excitation, and increased thermal-quenching activation energy by 13.3% (0.299 eV). Durability tests showed only 9.1% luminous flux degradation after 3600 s at 35 W center dot mm(-2), with stable correlated color temperature and color rendering index. Mechanistic analysis indicates moderate NaF promotes defect-suppressed crystallization, whereas excessive flux degrades luminescence, providing a scalable route to high-performance garnet films for laser lighting.
Solar-driven interfacial evaporation (SDIE) represents a sustainable solution to alleviate global water scarcity. While holding great promise, developing energy-efficient and salt-resistant systems remains a critical challenge. Here, we address this issue by establishing a multiphase-flow dynamics framework that couples water replenishment, vapor dissipation, salt rejection, and heat transfer. An integrated evaporation system is designed using bimodal porous polyvinyl alcohol-polyvinyl pyrrolidone hydrogels for synchronized water supply and salt reflux, perforated Juncus effusus stems to facilitate vapor generation and escape, and flat-band λ-Ti3O5 powders for broadband solar absorption. Under one-sun irradiation, the system achieves an exceptional evaporation rate of 11.2 kg m-2 h-1 (normalized to the top-illumination projected area) and an apparent efficiency of 278.3% (defined as the ratio of total energy gain from incident solar irradiation and environmental heat harvesting to solar input). Notably, it operates stably in ~15 wt.% saline water without salt crystallization. Outdoor tests under natural sunlight yield a daily freshwater production of 39.8 L m-2 (normalized to the top-illumination projected area). This work presents a robust and scalable approach to sustained solar desalination by resolving energy, water, vapor, and salt management in SDIE systems.
Magneli-phase Ti4O7 exhibits broadband photothermal conversion but suffers from rapid oxidation to optically inactive TiO2, severely restricting its deployment in high-temperature solar-thermal systems. Here, we demonstrate that Al doping provides an effective dual-function strategy to simultaneously enhance the oxidation resistance and optical stability of Ti4O7 while maintaining its intrinsic photothermal performance. Al-doped Ti4O7 powders (0-10 at. %) were synthesized via hydrogen reduction, and their structural evolution, oxidation kinetics, and spectral responses were systematically evaluated under controlled oxidative environments (300-500 degrees C, 2-10 h). Al3+ incorporation induces lattice distortion and electronic localization, which increase oxygen migration barriers and suppress electron-assisted oxidation. During annealing, Al-O-Ti species progressively transform into Al-O-Al-enriched surface layers, forming a robust diffusion barrier that significantly retards the Ti4O7 -> TiO2 conversion. As a result, the 10 at. % Al-doped sample retains a high solar absorptance of 95.8% after 400 degrees C/10 h oxidation, outperforming undoped Ti4O7 (92.2%). Moreover, controlled oxidation produces Ti4O7@TiO2 core-shell structures with statistically enhanced near-infrared absorption arising from multiple interfacial reflections and scattering-induced phase accumulation. Kinetic analysis confirms reduced oxidation rates and increased activation barriers across the full temperature window. These results establish Al-doped Ti4O7 as a durable, thermally stable photothermal material suitable for solar selective absorbing coatings, concentrated solar power receivers, and other high-temperature chemical engineering processes requiring longterm optical and structural robustness.
Heusler alloys are renowned for their outstanding functional properties but suffer from inherent brittleness that limits wide applications. Addressing this limitation demands a fundamental understanding of the origins of inherent brittleness. In this study, by a combined first-principles calculations and quantum chemical bonding analysis, the electronic structure origin of the brittleness of Heusler alloys was systematically investigated, taking Ni2MGa (M = Cr, Mn, Fe, and Co) as representative systems. Contrary to conventional understanding, we find that the interatomic chemical bonding is not the dominant factor governing brittleness in Heusler alloys. Instead, our analysis reveals pronounced electron localization at tetrahedral interstitial sites, which exhibits a strong correlation with the brittleness-ductility. By further incorporating the localization of interatomic bonding electrons, a robust linear relation is established. Based on these insights, we introduce a mean valence electron localization (MVEL) descriptor that integrates both interatomic and interstitial electronic localization, which effectively captures the brittleness-ductility of the Ni2MGa alloys. The validity of MVEL can be well expanded other Ni-, Co-, and Mn-based Heusler alloys. In addition, beyond valence electron concentration, we reveal that electronegativity difference between constituent elements, intricately linked to ionicity of chemical bonding, also critically influences global electron localization. This work provides a solid theoretical foundation for understanding the origin of brittleness and for guiding the design of advanced Heusler alloys with enhanced ductility.
Achieving an optimal balance between ductility and strength in high-entropy alloys (HEAs) remains a significant challenge. In this study, a series of eutectic high-entropy alloys (EHEAs) with the nominal compositions of Ni35Mn25Ti18-xFe12+xCo10 (x = 0, 2, 3, 4, 6; at%) were prepared by arc melting under an argon atmosphere. All alloys exhibit a heterogeneous microstructure composed of FCC and B2 dual-phase structures, which undergo sequential phase evolution: from dual-phase to hypoeutectic, followed by near-eutectic, and ultimately hypereutectic with increasing Fe content. Notably, the Ni35Mn25Ti15Fe15Co10 alloy exhibits a nearly complete lamellar eutectic structure, achieving an exceptional combination of strength and ductility. All alloys exhibit a yield strength exceeding 950 MPa. In particular, the hypereutectic alloy maintains a yield strength of 990 MPa while exhibiting an excellent fracture strength of 2417 MPa and a fracture strain of 30.2%. The superior mechanical properties of these alloys can be attributed to transformation-induced plasticity (TRIP) via B2 -> L10 martensitic transformation during deformation, as well as to hetero-deformation induced (HDI) strengthening arising from interactions between the soft and hard phases. These findings provide critical insights for designing HEAs with optimized strength-ductility synergy.
Phase engineering is crucial for tailoring the properties of transition-metal alloys, yet the stability competition between close-packed fcc and hcp phases remains unclear. Here, by combining first-principles calculations with chemical-bonding analysis, we reveal that their competition is governed by a valence electron concentration (VEC)-mediated band-filling mechanism. Unlike the unimodal electronic density of state (DOS) of fcc, hcp exhibits a shallow-pseudogap that lowers band energy at medium VEC (similar to 8), thereby stabilizing hcp. Orbital analysis attributes this pseudogap to the redistribution of e(g) states arising from the change in the close-packed plane stacking sequence from ABCABC (fcc) to ABAB (hcp).
The microstructural and textural evolution in hot-rolled Fe-3.0 wt.% Si steel sheets was investigated by quasi in situ electron backscatter diffraction (EBSD) analysis. During recrystallization, the Goss texture intensity in the surface region remains essentially unchanged, whereas the α and α* textures are strengthened. In the center region, the α texture weakens, and the α* texture shows little variation, while the Goss texture becomes intensified. In the surface region, {112}<110> recrystallized grains nucleate by consuming deformed matrices with orientations near {114}<221> and {110}<112>. Recrystallized {114}<481> and {001}<210> grains consume deformed matrices near {114}<221> and Goss orientations, while Goss grains nucleate by consuming Goss-oriented deformed matrices. In the center region, {112}<110>, {114}<481>, and {001}<210> recrystallized grains nucleate and grow by consuming α and λ type deformed matrices, whereas Goss recrystallized grains preferentially consume deformed matrices with orientations of {111}<112>.
The recrystallization texture plays a crucial role in determining the magnetic properties of non-oriented silicon steel. Texture evolution during grain growth depends on orientation-related grain size, grain boundary characteristic distribution, and the spatial distribution of texture components. Grain boundary segregation elements can hinder nucleation and growth of recrystallization grains by reducing grain boundary mobility, and thus alter the orientation-related grain size and spatial distribution of various texture components. However, the effects of these grain boundary segregation elements on the microstructure at the completion of primary recrystallization and on subsequent grain growth behavior remain unclear. In this study, the mechanisms by which segregation elements influence texture competition in Sbcontaining non-oriented silicon steel during grain growth were elucidated using EBSD. The orientation pinning effect within Goss grain clusters suppresses the growth of Goss ({110}<001>) grains, allowing adjacent grains to grow rapidly by consuming Goss grains in these clusters. The grain boundary segregation element Sb reduces {111} <112> grains around Goss clusters and impedes the formation of large-size {111} <112> grains, leading to a weakened {111} <112> texture and enhanced lambda texture components. These findings demonstrate that segregation element Sb can modify texture competition during grain growth by regulating the spatial distribution of various texture components, offering a novel approach for controlling recrystallization texture.
The performance of high-power laser-driven lighting systems is fundamentally limited by an insufficient understanding of the mechanisms governing heat generation and luminous saturation in color-converting materials. In this study, Ce-doped Lu3Al5O12 (LuAG:Ce) thin films synthesized through spray pyrolysis across a doping range of 0.1-4.0 mol% are systematically investigated to elucidate these effects. Heat generation, resulting from the Stokes shift, is found to scale with both Ce concentration and excitation power density, emerging as a critical factor that constrains luminescence output. At an optimized doping level of 2.5 mol% Ce, the films achieve a luminous flux of 1618.3 lm and exhibit a saturation threshold of 28 W & centerdot;mm(-2) under ambient conditions. Incorporation of water cooling reduces the local laser spot temperature by approximately 42.3 degrees C at the same excitation intensity, effectively raising the saturation threshold to 32 W & centerdot;mm(-2) and increasing luminous flux to 1938.6 lm, representing a 19.8% enhancement. These results demonstrate that nonradiative transitions, arising from thermal quenching, lead to luminous saturation. Collectively, this study clarifies the origins of heat generation and luminous saturation in LuAG:Ce films under high-power laser excitation and underscores the critical roles of Ce doping optimization and heat dissipation in enhancing solid-state lighting performance.
The presence of the brass texture ({110}<112>) impairs the magnetic properties of oriented silicon steel. However, the mechanism governing the evolution of this texture during normalizing annealing remains unresolved. In this study, the nucleation and growth behavior of the brass texture were systematically investigated during the normalizing process. Further, the microstructure of hot-rolling sheets during the normalizing process was characterized by quasi-in-situ electron backscatter diffraction and an independently developed image registration technique. During the initial stage of growth of brass-oriented grains, small-sized grains are more dependent on Coincidence Site Lattice (CSL) grain boundaries, the low interfacial energy of the Σ7 and Σ9 enables the grains to grow rapidly at the grain boundary. brass orientation grains offer an advantage over Copper and Goss orientation grains in competitive growth. With the exception of the brass orientation grains that nucleate and grow within the center layer, all other brass orientation grains exhibit oriented growth. Although deformation energy storage and initial grain size exhibit relatively minor effects, the growth of quasi-brass orientation grains is highly sensitive to environmental conditions. Directly growing brass orientation grains located at the same spatial position offer a slight advantage over grains formed by nucleation and growth steps. The growth status of directly growing brass orientation grains at different spatial locations shows that Σ9 contributes more than Σ7. The growth behavior of nucleated and growing grains at different spatial locations shows that the CSL relationship dominates the contribution to grain growth, while the contribution of interfacial energy is relatively weak.
The notable stress hysteresis and strong temperature dependence limit the application of superelastic alloys. In this study, we developed a Ni-Mn-Ti-Fe-Co superelastic high-entropy alloy system with low temperature dependence by integrating high-entropy alloy principles into the Ni-Mn-Ti system through arc-melting technology. By designing a fully eutectic microstructure, the alloy demonstrated stable superelasticity with minimal hysteresis energy dissipation, maintaining a 5% strain across a broad temperature range from 113 to 433 K. Furthermore, it exhibited fully reversible superelasticity of 5% after 12010 cycles at room temperature and demonstrated significant pseudoelasticity of about 8.2% under a high stress of 1600 MPa. Its excellent elasticity, minimal hysteresis energy dissipation, and near-constant stress-temperature dependence over a wide temperature range are attributed to its unique eutectic microstructure and weak first-order phase transformation, making it a promising candidate for applications requiring reliable superelastic performance across diverse temperature environments.
Internal oxidation has been identified as an effective method for enhancing the strength of AgMg alloys. However, the concurrent occurrence of embrittlement remains inadequately understood, thus limiting their broader application. This study investigates the oxidation behavior of AgMg alloys with Mg concentrations ranging from 1 at% to 7 at% at 800 degrees C, revealing a composition-dependent evolution of microstructure and mechanical properties. The oxidation process results in the formation of two distinct zones: a Mg/O solid solution zone (Mg/O SSZ), characterized by similar to 3 nm Mg/O clusters, and an internal oxide band zone (IOBZ), where nanocrystalline MgO stripes emerge at Mg concentrations of 2 at% or higher. The Mg/O SSZ is responsible for substantial strengthening, with surface hardness increasing from 74 HV (as-cast) to 224 HV at 7 at% Mg, and tensile strength rising from less than 50 MPa (pure Ag) to 269 MPa at 1 at% Mg. In contrast, the development of MgO stripes within the IOBZ induces localized stress concentrations at incoherent MgO/Ag interfaces, resulting in embrittlement and a reduction in mechanical performance at higher Mg contents. The oxidation kinetics deviate progressively from Wagner's theory with increasing Mg concentration, as the formation of MgO stripes impedes oxygen transport, decreasing the oxidation rate from 7.83 mu m s-1/2 at 1 at% Mg to 0.69 mu m s-1/2 at 7 at% Mg. These results elucidate a compositionally tunable balance between nanoscale cluster-driven strengthening and oxide stripe-induced embrittlement, providing a mechanistic framework for the design of high-performance AgMg alloys for structural and electronic applications. (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)Ag-Mg(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)Mg(sic)(sic)(sic)1 at%-7 at%(sic)Ag-Mg(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)800 degrees C(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic): (1) Mg/O(sic)(sic)(sic) (Mg/O SSZ), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)3 nm(sic)Mg/O(sic)(sic)(sic)(sic); (2) (sic)(sic)(sic)(sic)(sic) (IOBZ) , (sic)Mg(sic)(sic)>= 2 at%(sic)(sic)(sic), (sic)(sic)(sic)(sic)MgO(sic)(sic)(sic)(sic)(sic)(sic)(sic).Mg/O(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)74 HV(sic)(sic)(sic)224 HV (7 at% Mg) , (sic)(sic)(sic)(sic)(sic)(sic)Ag(sic)(sic)(sic)50 MPa(sic)(sic)(sic)269 MPa (1 at% Mg), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic), MgO(sic)(sic)(sic)Ag(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)Mg(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)Mg(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)Wagner(sic)(sic), (sic)(sic)(sic)(sic)(sic)1 at% Mg(sic)(sic)7.83 mu m s-1/2(sic)(sic)7 at% Mg(sic)(sic)0.69 mu m s-1/2, (sic)(sic)(sic)(sic)(sic)MgO(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)(sic)(sic)Ag-Mg(sic)(sic)(sic)"(sic)(sic)(sic)(sic)(sic)(sic)-(sic)(sic)(sic)(sic)(sic)(sic)"(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic), (sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).
Elastocaloric cooling offers an environmentally benign alternative to conventional vapor-compression refrigeration, with martensitic transformation induced simply by axial stress for cooling process. Additionally, the pronounced stress hysteresis dissipates a substantial amount of input work, presenting promising potential for mechanical damping. The integration of elastocaloric and damping properties enables solid-state refrigeration with effective noise reduction at room temperature. In this study, < 104 >(A) preferred oriented single-crystal alloys with nominal compositions of Cu72Al17Mn11, Cu71.5Al18Mn10Ni0.5, and Cu71Al18Mn10Ni1 were fabricated via cyclic heat treatment. The uniform orientation eliminates grain boundaries, reduces the transformation energy barrier and thermal dissipation, consequently enhancing the transformation temperature and latent heat. The < 104 >(A) oriented Cu71.5Al18Mn10Ni0.5 single-crystal alloy exhibits a low critical driving stress of 85 MPa for inducing martensitic transformation at room temperature. After a 10% compressive strain, it exhibits an improved damping performance with a loss factor (eta) of 0.164 and a merit index (E-1/2 & centerdot;eta) of 0.575, accompanied by a large adiabatic temperature change (triangle T-ad) of -12.8 K upon unloading. Compared with other alloys, the < 104 >(A) oriented Cu71.5Al18Mn10Ni0.5 single-crystal alloy simultaneously achieves both a rapid response for elastocaloric cooling and an improved elastocaloric-damping balance under large-strain deformation at room temperature.
Phase change materials (PCMs) enable the controlled modulation of physical properties through phase transitions induced by external stimuli, including temperature, pressure, irradiation, or electric and magnetic fields. Of particular interest is trititanium pentoxide (Ti3O5), a promising PCM for heat storage, which exhibits a low pressure threshold for the lambda to beta phase transition. Although the phase transitions of bulk Ti3O5 have been extensively studied and well understood, research on its surface properties and associated phase transformations remains limited due to the computational challenge of modeling pressure effects on the surface at the atomic scale. Here we introduce a computational framework that combines a machine-learned interatomic potential trained on high-fidelity density functional theory data with explicit pressure simulation via repulsive slab potentials. We identify a hitherto unknown stable surface reconstruction and a kinetically favorable layer-by-layer transition mechanism. On-the-fly probability enhanced sampling simulations reveal that pressure significantly reduces the free energy barrier, predicting a phase transition at only 700 bar, in good agreement with the experimental value. This work presents a feasible and generally applicable protocol for modeling pressure effects in PCMs, paving the way for improved understanding and application of materials under operational conditions.
The exceptional magnetic properties of oriented silicon steel are governed by the development of a sharp Goss texture ({110} 〈001〉) during secondary recrystallization. Although extensive studies have established the pivotal influence of the primary recrystallization texture on the selective growth of Goss-oriented grains, the role of micro-texture features, particularly the spatial distribution and local configuration of γ texture components ({111} < uvw>), in governing the nucleation and initial-stage growth of Goss-oriented nuclei remains poorly understood. To bridge this gap, this study integrates quantitative characterization of the spatial distribution of γ texture components with phase-field simulations and quasi-in-situ experimental observations to systematically elucidate the regulatory mechanism of γ texture during the incipient stage of Goss secondary recrystallization. It is demonstrated that, in the initial stage of secondary recrystallization, the growth velocity of Goss-oriented grains increases monotonically with the Mean Proximity Index (MPI); moreover, grains with comparable MPI consistently exhibit similar growth rates. Beyond a threshold value, a marginal effect of MPI is observed, suggesting diminishing returns in growth acceleration. Notably, the number of γ-clusters exerts negligible influence on Goss-oriented grain growth kinetics; instead, the size of individual γ-clusters is identified as the dominant factor accelerating Goss-oriented nucleus expansion. Specifically, a larger cluster size confers a stronger kinetic advantage. Quasi-in-situ data further reveal that small γ texture grains (<25 μm) with large orientation deviations (37.5°–45°) located within γ-clusters are strongly pinned by orientation gradients and thus remain stagnant, rendering them preferential targets for consumption by advancing Goss-oriented secondary nuclei.
Martensitic transformation from high-temperature B2 phase to the low-temperature B19 ' phase in NiTi shape-memory alloys exhibits anomalous lattice expansion-a long-standing puzzle whose underlying mechanism has remained elusive. Here, we resolve this issue by introducing quantum-chemical bonding analysis, revealing that on-site electron interactions govern the phase transition. Quantitative analysis shows reduced bonding strength in the B19 ' phase, accounting for the volume anomaly. Crucially, the enhanced stability of the B19 ' phase arises from the contribution of on-site electrons near the Fermi level to the band-structure energy due to symmetry-breaking crystal-field effect, suggesting a cooperative Jahn-Teller-like distortion. Our findings uncover a "weakened-yet-stabilized" picture for martensitic transformations, providing novel electronic-scale insights into anomalous phase transitions.
The Magneli-phase lambda-Ti3O5, characterized by its unique flat-band electronic structure, is a promising photothermal conversion material for solar-driven interfacial evaporation. However, its intrinsic thermodynamic instability at ambient temperature severely constrains large-scale practical application. To overcome this challenge, we developed a scalable synthesis strategy for stabilizing lambda-Ti3O5 via arc-melting followed by high-energy ball milling, coupled with Lithium (Li) doping. Structural and surface analyses confirm that Li incorporation effectively stabilizes the lambda-phase. Morphological studies reveal particle refinement (similar to 1-2 mu m) with increased surface roughness and oxygen vacancies, further enhancing solar absorption with overall reflectivity < 6% in the range of 250-2500 nm. Incorporating 10 wt. % of Li0.25Ti2.75O5 particles into a Polyvinyl alcohol/Polyvinylpyrrolidone (PVA/PVP) porous hydrogel evaporator yielded an evaporation rate of 5.22 kg m(-2) h(-1) under one sun irradiation. Remarkably, the evaporator demonstrated excellent resistance to salt crystallization, maintaining stable performance during a 24-h continuous operation in 3.5 wt. % saline water. This work not only provides a practical and scalable approach for stabilizing lambda-Ti3O5 but also offers valuable insights into the development of efficient, durable photothermal materials for solar desalination technologies.