Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Article Types

Countries / Regions

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Search Results (788)

Search Parameters:
Keywords = mechanism of crystal growth

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
19 pages, 2232 KiB  
Article
Impact of Co-Substrates on the Production of Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) by Burkholderia thailandensis E264
by Jonathan Uriel Hernández-Alonso, María Alejandra Pichardo-Sánchez, Sergio Huerta-Ochoa, Angélica Román-Guerrero, Oliverio Rodríguez-Fernández, Humberto Vásquez-Torres, Roberto Olayo-González, Roberto Olayo-Valles, Luis Víctor Rodríguez-Durán and Lilia Arely Prado-Barragán
Materials 2025, 18(15), 3577; https://doi.org/10.3390/ma18153577 - 30 Jul 2025
Abstract
The synthesis of bioplastics from renewable resources is essential for green living. PHBV (poly(3-hydroxybutyrate-co-3-hydroxyvalerate)) is a biodegradable and biocompatible material ideal for various industrial applications. The impact of levulinic (LA), valeric acids (VA), and sodium propionate (SPr) as co-substrates in biomass and the [...] Read more.
The synthesis of bioplastics from renewable resources is essential for green living. PHBV (poly(3-hydroxybutyrate-co-3-hydroxyvalerate)) is a biodegradable and biocompatible material ideal for various industrial applications. The impact of levulinic (LA), valeric acids (VA), and sodium propionate (SPr) as co-substrates in biomass and the synthesis of 3-hydroxy valerate (3HV) and co-polymerization of PHBV by Burkholderia thailandensis E264 (BtE264) was assessed. Thermogravimetric, XRD, NMR, and mechanical characterization were performed on the homopolymer (PHB) and co-polymer (PHBV), and compared to the PHBV-STD. BtE264 produced the co-polymer PHBV when adding any of the three co-substrates. LA showed a higher positive effect on microbial growth (8.4 g∙L−1) and PHBV production (3.91 g∙L−1), representing 78 and 22 mol % of 3HB and 3HV, respectively. The PHBV obtained with LA had a melting temperature (Tm) lower than the PHB homopolymer and presented lower values for melting enthalpies (ΔHf); the degree of crystallization and TGA values indicated that PHBV had better thermal stability. Additionally, FTIR and NMR revealed that BtE264 synthesizes PHBV with an organization in monomeric units (3HB-3HV), suggesting differentiated incorporation of the monomers, improving 3.4 times the break elongation the co-polymer’s tensile properties. This study highlights the co-substrates’ relevance in PHBV synthesis using BtE264 for the first time. Full article
(This article belongs to the Section Biomaterials)
Show Figures

Graphical abstract

17 pages, 7162 KiB  
Article
Microbeam X-Ray Investigation of the Structural Transition from Circularly Banded to Ringless Dendritic Assemblies in Poly(Butylene Adipate) Through Dilution with Poly(Ethylene Oxide)
by Selvaraj Nagarajan, Chia-I Chang, I-Chuan Lin, Yu-Syuan Chen, Chean-Cheng Su, Li-Ting Lee and Eamor M. Woo
Polymers 2025, 17(15), 2040; https://doi.org/10.3390/polym17152040 - 26 Jul 2025
Viewed by 263
Abstract
In this study, growth mechanisms are proposed to understand how banded dendritic crystal aggregates in poly(1,4-butylene adipate) (PBA) transform into straight dendrites upon dilution with a large quantity of poly(ethylene oxide) (PEO) (25–90 wt.%). In growth packing, crystal plates are deformed in numerous [...] Read more.
In this study, growth mechanisms are proposed to understand how banded dendritic crystal aggregates in poly(1,4-butylene adipate) (PBA) transform into straight dendrites upon dilution with a large quantity of poly(ethylene oxide) (PEO) (25–90 wt.%). In growth packing, crystal plates are deformed in numerous ways, such as bending, scrolling, and twisting in self-assembly, into final aggregated morphologies of periodic bands or straight dendrites. Diluting PBA with a significant amount of PEO uncovers intricate periodic banded assemblies, facilitating better structural analysis. Both circularly banded and straight dendritic PBA aggregates have similar basic lamellar patterns. In straight dendritic PBA spherulites, crystal plates can twist from edge-on to flat-on, similar to those in ring-banded spherulites. Therefore, twists—whether continuous or discontinuous—are not limited to the conventional models proposed for classical periodic-banded spherulites. Thus, it would not be universally accurate to claim that the periodic circular bands observed in polymers or small-molecule compounds are caused by continuous lamellar helix twists. Straight dendrites, which do not exhibit optical bands, may also involve alternate crystal twists or scrolls during growth. Iridescence tests are used to compare the differences in crystal assemblies of straight dendrites vs. circularly banded PBA crystals. Full article
(This article belongs to the Section Polymer Physics and Theory)
Show Figures

Graphical abstract

17 pages, 7633 KiB  
Article
Mechanical Behavior Characteristics of Sandstone and Constitutive Models of Energy Damage Under Different Strain Rates
by Wuyan Xu and Cun Zhang
Appl. Sci. 2025, 15(14), 7954; https://doi.org/10.3390/app15147954 - 17 Jul 2025
Viewed by 199
Abstract
To explore the influence of mine roof on the damage and failure of sandstone surrounding rock under different pressure rates, mechanical experiments with different strain rates were carried out on sandstone rock samples. The strength, deformation, failure, energy and damage characteristics of rock [...] Read more.
To explore the influence of mine roof on the damage and failure of sandstone surrounding rock under different pressure rates, mechanical experiments with different strain rates were carried out on sandstone rock samples. The strength, deformation, failure, energy and damage characteristics of rock samples with different strain rates were also discussed. The research results show that with the increases in the strain rate, peak stress, and elastic modulus show a monotonically increasing trend, while the peak strain decreases in the reverse direction. At a low strain rate, the proportion of the mass fraction of complete rock blocks in the rock sample is relatively high, and the shape integrity is good, while rock samples with a high strain rate retain more small-sized fragmented rock blocks. This indicates that under high-rate loading, the bifurcation phenomenon of secondary cracks is obvious. The rock samples undergo a failure form dominated by small-sized fragments, with severe damage to the rock samples and significant fractal characteristics of the fragments. At the initial stage of loading, the primary fractures close, and the rock samples mainly dissipate energy in the forms of frictional slip and mineral fragmentation. In the middle stage of loading, the residual fractures are compacted, and the dissipative strain energy keeps increasing continuously. In the later stage of loading, secondary cracks accelerate their expansion, and elastic strain energy is released sharply, eventually leading to brittle failure of the rock sample. Under a low strain rate, secondary cracks slowly expand along the clay–quartz interface and cause intergranular failure of the rock sample. However, a high strain rate inhibits the stress relaxation of the clay, forces the energy to transfer to the quartz crystal, promotes the penetration of secondary cracks through the quartz crystal, and triggers transgranular failure. A constitutive model based on energy damage was further constructed, which can accurately characterize the nonlinear hardening characteristics and strength-deformation laws of rock samples with different strain rates. The evolution process of its energy damage can be divided into the unchanged stage, the slow growth stage, and the accelerated growth stage. The characteristics of this stage reveal the sudden change mechanism from the dissipation of elastic strain energy of rock samples to the unstable propagation of secondary cracks, clarify the cumulative influence of strain rate on damage, and provide a theoretical basis for the dynamic assessment of surrounding rock damage and disaster early warning when the mine roof comes under pressure. Full article
Show Figures

Figure 1

28 pages, 17257 KiB  
Article
A Crystal Plasticity Phase-Field Study on the Effects of Grain Boundary Degradation on the Fatigue Behavior of a Nickel-Based Superalloy
by Pengfei Liu, Zhanghua Chen, Xiao Zhao, Jianxin Dong and He Jiang
Materials 2025, 18(14), 3309; https://doi.org/10.3390/ma18143309 - 14 Jul 2025
Viewed by 347
Abstract
Grain boundary weakening in high-temperature environments significantly influences the fatigue crack growth mechanisms of nickel-based superalloys, introducing challenges in accurately predicting fatigue life. In this study, a dislocation-density-based crystal plasticity phase-field (CP–PF) model is developed to simulate the fatigue crack growth behavior of [...] Read more.
Grain boundary weakening in high-temperature environments significantly influences the fatigue crack growth mechanisms of nickel-based superalloys, introducing challenges in accurately predicting fatigue life. In this study, a dislocation-density-based crystal plasticity phase-field (CP–PF) model is developed to simulate the fatigue crack growth behavior of the GH4169 alloy under both room and elevated temperatures. Grain boundaries are explicitly modeled, enabling the competition between transgranular and intergranular cracking to be accurately captured. The grain boundary separation energy and surface energy, calculated via molecular dynamics simulations, are employed as failure criteria for grain boundary and intragranular material points, respectively. The simulation results reveal that under oxygen-free conditions, fatigue crack propagation at both room and high temperatures is governed by sustained shear slip, with crack advancement hindered by grains exhibiting low Schmid factors. When grain boundary oxidation is introduced, increasing oxidation levels progressively degrade grain boundary strength and reduce overall fatigue resistance. Specifically, at room temperature, oxidation shortens the duration of crack arrest near grain boundaries. At elevated service temperatures, intensified grain boundary degradation facilitates a transition in crack growth mode from transgranular to intergranular, thereby accelerating crack propagation and exacerbating fatigue damage. Full article
(This article belongs to the Section Metals and Alloys)
Show Figures

Figure 1

16 pages, 3915 KiB  
Article
Corrosion Resistance of Ti/Cr Gradient Modulation Period Nanomultilayer Coatings Prepared by Magnetron Sputtering on 7050 Aluminum Alloy
by Kang Chen, Tao He, Xiangyang Du, Alexey Vereschaka, Catherine Sotova, Yang Ding and Jian Li
Inorganics 2025, 13(7), 242; https://doi.org/10.3390/inorganics13070242 - 13 Jul 2025
Viewed by 285
Abstract
Nanostructured multilayer anticorrosion coatings offer an effective strategy to mitigate the poor corrosion resistance of aluminum alloys and extend their service life. In this study, four types of Ti/Cr multilayer coatings with varied modulation periods along the growth direction were deposited on 7050 [...] Read more.
Nanostructured multilayer anticorrosion coatings offer an effective strategy to mitigate the poor corrosion resistance of aluminum alloys and extend their service life. In this study, four types of Ti/Cr multilayer coatings with varied modulation periods along the growth direction were deposited on 7050 aluminum alloy substrates using direct current magnetron sputtering. The cross-sectional microstructure of the coatings was characterized by scanning electron microscopy (SEM), while their mechanical and corrosion properties were systematically evaluated through nanoindentation and electrochemical measurements. The influence of modulation period distribution on the corrosion resistance of Ti/Cr multilayers was thoroughly investigated. The results show that the average thickness of the Ti/Cr multilayer coatings is 680 nm, the structure is dense, and the coarse columnar crystals are not seen. All Ti/Cr multilayer coatings significantly reduced the corrosion current density of 7050 aluminum alloy by about 10 times compared with that of the substrate, showing good protective effect. Modulation period along the coating growth direction decreases the Ti/Cr multilayer coating surface heterogeneous interface density increases, inhibits the formation of corrosion channels, hindering the penetration of corrosive media, and the other three coatings and aluminum alloy compared to its corrosion surface did not see obvious pore corrosion, showing the most excellent corrosion resistance. Full article
Show Figures

Figure 1

13 pages, 20460 KiB  
Article
The Effects of AtNCED3 on the Cuticle of Rice Leaves During the Nutritional Growth Period
by Yang Zhang, Yuwei Jia, Hui Chen, Min Wang, Xiaoli Li, Lanfang Jiang, Jianyu Hao, Xiaofei Ma and Hutai Ji
Int. J. Mol. Sci. 2025, 26(14), 6690; https://doi.org/10.3390/ijms26146690 - 12 Jul 2025
Viewed by 285
Abstract
The plant cuticle, a protective barrier against external stresses, and abscisic acid (ABA), a key phytohormone, are crucial for plant growth and stress responses. Heterologous expression of AtNCED3 in plants has been widely studied. In this research, by comparing the japonica rice cultivar [...] Read more.
The plant cuticle, a protective barrier against external stresses, and abscisic acid (ABA), a key phytohormone, are crucial for plant growth and stress responses. Heterologous expression of AtNCED3 in plants has been widely studied. In this research, by comparing the japonica rice cultivar Zhonghua 10 and its AtNCED3 over-expressing lines during the vegetative growth stage through multiple methods, we found that AtNCED3 over-expression increased leaf ABA content, enhanced epidermal wax and cutin accumulation, modified wax crystal density, and thickened the cuticle. These changes reduced leaf epidermal permeability and the transpiration rate, thus enhancing drought tolerance. This study helps understand the role of endogenous ABA in rice cuticle synthesis and its mechanism in plant drought tolerance, offering potential for genetic improvement of drought resistance in crops. Full article
(This article belongs to the Special Issue Advance in Plant Abiotic Stress: 3rd Edition)
Show Figures

Figure 1

19 pages, 5351 KiB  
Article
Early Hydration Kinetics of Shell Ash-Based Cementitious Materials: A Low-Field Nuclear Magnetic Resonance Study
by Chuan Tong, Liyuan Wang, Kun Wang and Jianxin Fu
Materials 2025, 18(14), 3253; https://doi.org/10.3390/ma18143253 - 10 Jul 2025
Viewed by 253
Abstract
This study systematically investigates the effects of shell ash (SA) content (0–10%) on early moisture evolution, pore structure, and hydration kinetics in cement paste using LF-NMR and NG-I-D hydration kinetic models. Key findings include the following: (1) Increased SA content significantly alters moisture [...] Read more.
This study systematically investigates the effects of shell ash (SA) content (0–10%) on early moisture evolution, pore structure, and hydration kinetics in cement paste using LF-NMR and NG-I-D hydration kinetic models. Key findings include the following: (1) Increased SA content significantly alters moisture phase distribution. Low contents (≤8%) consume free water through rapid CaO hydration, promoting C-S-H gel densification. However, 10% SA causes reduced moisture in 0.16–0.4 μm gel micropores (due to hindered ion diffusion) and abrupt increases in 0.63–2.5 μm pores. (2) Porosity first decreases then increases with SA content, reaching minimum values at 3–5% and 8%, respectively. The 10% content induces abnormal porosity growth from localized over-densification following polynomial fitting (R2 = 0.966). (3) Krstulovic–Dabic model analysis reveals three consecutive hydration stages: nucleation–growth (NG), phase boundary reaction (I), and diffusion control (D). The NG stage shows the most intense reactions, while the D stage dominates (>60% contribution), with high model fitting accuracy (R2 > 0.9). (4) SA delays nucleation/crystal growth, inducing needle-like crystals at 3% content. Mechanical properties exhibit quadratic relationships with SA content, achieving peak compressive strength (18.6% increase vs. control) at 5% SA. This research elucidates SA content thresholds governing hydration kinetics and microstructure evolution, providing theoretical support for low-carbon cementitious material design. Full article
(This article belongs to the Section Materials Physics)
Show Figures

Figure 1

19 pages, 8722 KiB  
Article
Effect of Laser Power on Microstructure and Tribological Performance of Ni60/WC Bionic Unit Fabricated via Laser Cladding
by You Lv, Bo Cui, Zhaolong Sun and Yan Tong
Metals 2025, 15(7), 771; https://doi.org/10.3390/met15070771 - 8 Jul 2025
Viewed by 295
Abstract
The unique structures and properties of natural organisms provide abundant inspiration for surface modification research in materials science. In this paper, the tribological advantages of radial ribs found on shell surfaces were combined with laser cladding to address challenges in material surface strengthening. [...] Read more.
The unique structures and properties of natural organisms provide abundant inspiration for surface modification research in materials science. In this paper, the tribological advantages of radial ribs found on shell surfaces were combined with laser cladding to address challenges in material surface strengthening. Laser cladding technology was used to fabricate bionic units on the surface of 20CrMnTi steel. The alloy powder consisted of a Ni-based alloy with added WC particles. The influence of laser power (1.0 kW–3.0 kW) on the dimensions, microstructure, hardness, surface roughness, and tribological properties of the bionic units was investigated to enhance the tribological performance of the Ni60/WC bionic unit. The microstructure, phase composition, hardness, and tribological behavior of the bionic units were characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD), a microhardness tester, and a wear tester. Experimental results show that the dimensions of the bionic units increased with laser power. However, beyond a certain threshold, the growth rate of the width and height gradually slowed due to heat conduction and edge cooling effects. The microstructure primarily consisted of equiaxed and dendritic crystals, with grain refinement observed at higher laser powers. The addition of WC resulted in average hardness values of 791 HV0.2, 819 HV0.2, 835 HV0.2, and 848 HV0.2 across the samples. This enhancement in hardness was attributed to dispersion strengthening and grain refinement. Increasing the laser power also reduced the surface roughness of the bionic units, though excessively high laser power led to a roughness increase. The presence of WC altered the wear mechanism of the bionic units. Compared to the wear observed in the N60 sample, the wear amount of the WC-containing samples decreased by 73.7%, 142.1%, 157.5%, and 263.1%, respectively. Hard WC particles played a decisive role in enhancing tribological performance of the bionic unit. Full article
Show Figures

Figure 1

11 pages, 1801 KiB  
Communication
New High Light Yield and Fast Ceramic Scintillator Y3Al2.5Ga2.5O12:Ce, Mg
by Valentina Smyslova, Aliaksei Bondarau, Andrei Fedorov, Elizaveta Borisevich, Ilya Lagutskiy, Petr Karpuyk, Ilia Komendo, Vladimir Kalinov, Vitaly Mechinsky, Vasilii Retivov, Yauheni Talochko, Andrei Vasil’ev and Mikhail Korzhik
Photonics 2025, 12(7), 680; https://doi.org/10.3390/photonics12070680 - 6 Jul 2025
Viewed by 276
Abstract
New scintillation transparent ceramics Y3Al2.5Ga2.5O12:Ce, Mg has been produced and evaluated for the first time. The material possesses a density of 5.17 g/cm3, a highlight yield of 44,000 ph/MeV, and an effective scintillation [...] Read more.
New scintillation transparent ceramics Y3Al2.5Ga2.5O12:Ce, Mg has been produced and evaluated for the first time. The material possesses a density of 5.17 g/cm3, a highlight yield of 44,000 ph/MeV, and an effective scintillation kinetics decay constant of 47 ns. This unique combination of the parameters makes it superior to YAG:Ce. Production of the material does not include tooling from precious materials, and the rate of the crystalline mass production is not limited by the pulling rate of the crystal growth process. It can be quite prospective to upgrade the detection units of a variety of X-ray imaging devices. The mechanism of the scintillation light yield enhancement and kinetics shortening in the material are discussed as well. Full article
Show Figures

Figure 1

15 pages, 1685 KiB  
Article
Accelerating Effects of Poloxamer and Its Structural Analogs on the Crystallization of Nitrendipine Polymorphs
by Jie Zhang, Qiusheng Yang, Meixia Xu, Xinqiang Tan, Xucong Peng, Ziqing Yang, Kang Li, Jia Yang, Jie Chen, Xuan Xun, Saijun Xiao, Lingjie Zhou, Minzhuo Liu and Zhihong Zeng
Pharmaceuticals 2025, 18(7), 1000; https://doi.org/10.3390/ph18071000 - 3 Jul 2025
Viewed by 551
Abstract
Background: Surfactants can be added into polymer–amorphous drug systems to further enhance solubility. However, this may cause amorphous drugs to become physically unstable, and the inherent mechanism at play here is not fully understood. Methods: We explored the effects of poloxamer, a poly [...] Read more.
Background: Surfactants can be added into polymer–amorphous drug systems to further enhance solubility. However, this may cause amorphous drugs to become physically unstable, and the inherent mechanism at play here is not fully understood. Methods: We explored the effects of poloxamer, a poly (ethylene oxide)-poly (propylene oxide)-poly (ethylene oxide) (PEO-PPO-PEO) triblock copolymer surfactant, and its segments on the nucleation and growth kinetics of amorphous nitrendipine (NTP) from the melt through polarized light microscopy. The effects of poloxamer and structural analogs on the melting point and glass transition temperature were also investigated using differential scanning calorimetry. Results: The poloxamer and its structural analogs enhanced nucleation and growth kinetics in supercooled liquid. Poloxamer and its structural analogs exhibited similar effects on the nucleation and growth kinetics of amorphous NTP, suggesting minimal dependence on structural variation. The overall crystallization rate of the NTP increased when increasing the poloxamer content and ultimately reached a maximum value; after that, the crystallization rates of NTP decreased when increasing the poloxamer content. Conclusions: Poloxamer and its structural analogs achieve similar effects on crystallization due to their comparable plasticizing effects. The nucleation and growth rates show different trends as a function of the poloxamer content. This effect is a result of both kinetic and thermodynamic factors. This study is relevant to understanding the impacts of the surfactant on the physical instability of amorphous drugs. Full article
(This article belongs to the Section Pharmaceutical Technology)
Show Figures

Graphical abstract

21 pages, 2873 KiB  
Article
Adaptive Evolution of Sporosarcina pasteurii Enhances Saline–Alkali Resistance for High-Performance Concrete Crack Repair via MICP
by Jieyu Liu, Huaihua Xu, Min Dong, Zilin Cheng, Chenkai Mi, Shuai Sun, Ruiying Zhu and Peipei Han
Microorganisms 2025, 13(7), 1526; https://doi.org/10.3390/microorganisms13071526 - 30 Jun 2025
Viewed by 415
Abstract
Microbially induced calcium carbonate precipitation (MICP) has emerged as a research focus in concrete crack remediation due to its environmental compatibility and efficient mineralization capacity. The hypersaline conditions of seawater (average 35 g/L NaCl) and alkaline environments (pH 12) within concrete cracks pose [...] Read more.
Microbially induced calcium carbonate precipitation (MICP) has emerged as a research focus in concrete crack remediation due to its environmental compatibility and efficient mineralization capacity. The hypersaline conditions of seawater (average 35 g/L NaCl) and alkaline environments (pH 12) within concrete cracks pose significant challenges to the survival of mineralization-capable microorganisms. To enhance microbial tolerance under these extreme conditions, this study employed a laboratory adaptive evolution strategy to successfully develop a Sporosarcina pasteurii strain demonstrating tolerance to 35 g/L NaCl and pH 12. Comparative analysis of growth characteristics (OD600), pH variation, urease activity, and specific urease activity revealed that the evolved strain maintained growth kinetics under harsh conditions comparable to the parental strain under normal conditions. Subsequent evaluations demonstrated the evolved strain’s superior salt–alkali tolerance through enhanced enzymatic activity, precipitation yield, particle size distribution, crystal morphology, and microstructure characterization under various saline–alkaline conditions. Whole-genome sequencing identified five non-synonymous mutated genes associated with ribosomal stability, transmembrane transport, and osmoprotectant synthesis. Transcriptomic profiling revealed 1082 deferentially expressed genes (543 upregulated, 539 downregulated), predominantly involved in ribosomal biogenesis, porphyrin metabolism, oxidative phosphorylation, tricarboxylic acid (TCA) cycle, and amino acid metabolism. In concrete remediation experiments, the evolved strain achieved superior performance with 89.3% compressive strength recovery and 48% reduction in water absorption rate. This study elucidates the molecular mechanisms underlying S. pasteurii’s salt–alkali tolerance and validates its potential application in the remediation of marine engineering. Full article
(This article belongs to the Section Microbial Biotechnology)
Show Figures

Figure 1

12 pages, 2688 KiB  
Communication
Growth and Characterization of n-Type Hexagonal Ta2O5:W Films on Sapphire Substrates by MOCVD
by Xiaochen Ma, Yuanheng Li, Xuan Liu, Deqiang Chen, Yong Le and Biao Zhang
Materials 2025, 18(13), 3073; https://doi.org/10.3390/ma18133073 - 28 Jun 2025
Viewed by 404
Abstract
Tantalum oxide is a wide bandgap material commonly used as an insulating dielectric layer for devices. In this work, hexagonal Ta2O5 (δ-Ta2O5) films doped with tungsten (W) were deposited on α-Al2O [...] Read more.
Tantalum oxide is a wide bandgap material commonly used as an insulating dielectric layer for devices. In this work, hexagonal Ta2O5 (δ-Ta2O5) films doped with tungsten (W) were deposited on α-Al2O3 (0001) by metal–organic chemical vapor deposition (MOCVD). The effects of W doping on the structural, morphology, and photoelectrical properties of the obtained films were studied. The results showed that all W-doped films were n-type semiconductors. The XRD measurement result exhibited that the increase in the W doping concentration leads to the changes in the preferred growth crystal plane of the films from δ-Ta2O5 (101¯1) to (0001). The 1.5% W-doped film possessed the best crystal quality and conductivity. The Hall measurement showed that the minimum resistivity of the film was 2.68 × 104 Ω∙cm, and the maximum carrier concentration was 7.39 × 1014 cm3. With the increase in the W concentration, the surface roughness of the film increases, while the optical bandgap decreases. The optical band gap of the 1.5% W-doped film was 3.92 eV. The W doping mechanisms were discussed. Full article
Show Figures

Figure 1

20 pages, 3573 KiB  
Article
Analysis of Open-Water Changes and Ice Microstructure Characteristics in Different River Channel Types of the Yellow River in Inner Mongolia Based on Satellite Images and Field Sampling
by Yupeng Leng, Chunjiang Li, Peng Lu, Xiang Fu and Shengbo Hu
Water 2025, 17(13), 1898; https://doi.org/10.3390/w17131898 - 26 Jun 2025
Viewed by 305
Abstract
The formation and evolution of ice in the Yellow River represent complex dynamic processes. To elucidate the structural characteristics of ice crystals and their governing mechanisms in the Inner Mongolia reach, this investigation utilized high-resolution Sentinel-2 satellite imagery to systematically monitor spatiotemporal variations [...] Read more.
The formation and evolution of ice in the Yellow River represent complex dynamic processes. To elucidate the structural characteristics of ice crystals and their governing mechanisms in the Inner Mongolia reach, this investigation utilized high-resolution Sentinel-2 satellite imagery to systematically monitor spatiotemporal variations in open-water formations across diverse channel morphologies throughout the ice regime period. Systematic ice sampling was conducted across diverse channel morphologies of the Yellow River to quantify critical parameters, including crystalline structure characteristics, equivalent diameter distributions, density variations, and sediment content profiles. The results indicate the transformation of open water resulting from various river configurations during the freezing season exhibits distinct characteristics, which are significantly influenced by temperature variations. Ice crystal characterization exhibits that the crystalline structure predominantly manifests as two primary forms: columnar and granular ice formations, with their distribution varying systematically across different channel configurations. Ice crystal morphology exhibits heterogeneity in both form and dimensional characteristics. Columnar ice consistently exhibits larger equivalent diameters compared to granular ice formations. A progressive enhancement in the equivalent diameter of crystals is observed along the vertical axis corresponding to the thickness of the ice during the growth process. The ranges of variation in ice crystal size, ice density, and mud content within ice exhibit differences contingent upon the specific crystal structures present. Observational studies and comparative analyses of ice samples from the Inner Mongolia reach of the Yellow River reveal that channel morphology, ambient thermal conditions, and hydrodynamic parameters are the primary determinants governing the variability in ice microstructure and its associated physical characteristics. This investigation provides fundamental scientific insights and quantitative data that advance our understanding of river ice microstructural characteristics. Full article
Show Figures

Figure 1

25 pages, 7095 KiB  
Article
Kinetics of Phase Transitions in Amorphous Carbamazepine: From Sub-Tg Structural Relaxation to High-Temperature Decomposition
by Roman Svoboda and Adéla Pospíšilová
Int. J. Mol. Sci. 2025, 26(13), 6136; https://doi.org/10.3390/ijms26136136 - 26 Jun 2025
Viewed by 306
Abstract
Thermokinetic characterization of amorphous carbamazepine was performed utilizing non-isothermal differential scanning calorimetry (DSC) and thermogravimetry (TGA). Structural relaxation of the amorphous matrix was described in terms of the Tool–Narayanaswamy–Moynihan model with the following parameters: Δh* ≈ 200–300 kJ·mol−1, β = [...] Read more.
Thermokinetic characterization of amorphous carbamazepine was performed utilizing non-isothermal differential scanning calorimetry (DSC) and thermogravimetry (TGA). Structural relaxation of the amorphous matrix was described in terms of the Tool–Narayanaswamy–Moynihan model with the following parameters: Δh* ≈ 200–300 kJ·mol−1, β = 0.57, x = 0.44. The crystallization of the amorphous phase was modeled using complex Šesták–Berggren kinetics, which incorporates temperature-dependent activation energy and degree of autocatalysis. The activation energy of the crystal growth was determined to be >320 kJ·mol−1 at the glass transition temperature (Tg). Owing to such a high value, the amorphous carbamazepine is stable at Tg, allowing for extensive processing of the amorphous phase (e.g., self-healing of the quench-induced mechanical defects or internal stress). A discussion was conducted regarding the converse relation between the activation energies of relaxation and crystal growth, which is possibly responsible for the absence of sub-Tg crystal growth modes. The high-temperature thermal decomposition of carbamazepine proceeds via multistep kinetics, identically in both an inert and an oxidizing atmosphere. A complex reaction mechanism, consisting of a series of consecutive and competing reactions, was proposed to explain the second decomposition step, which exhibited a temporary mass increase. Whereas a negligible degree of carbamazepine degradation was predicted for the temperature characteristic of the pharmaceutical hot-melt extrusion (~150 °C), the degradation risk during the pharmaceutical 3D printing was calculated to be considerably higher (1–2% mass loss at temperatures 190–200 °C). Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
Show Figures

Figure 1

16 pages, 3258 KiB  
Article
Breaking the Efficiency–Quality Tradeoff via Temperature–Velocity Co-Optimization: Multiscale Calculations and Experimental Study of Epitaxial Growth of Iridium on MgO(100)
by Yang Wang, Junhao Chen, Shilin Yang and Jiaqi Zhu
Crystals 2025, 15(6), 580; https://doi.org/10.3390/cryst15060580 - 19 Jun 2025
Viewed by 257
Abstract
The precise control of thermal–kinetic parameters governs epitaxial perfection in functional oxide heterostructures. Herein, using Iridium/MgO(100) as a model system, the traditional “low-speed/high-temperature” paradigm is revolutionized through the combination of ab initio calculations, multiscale simulations, and subsequent deposition experiments. First-principles modeling reveals the [...] Read more.
The precise control of thermal–kinetic parameters governs epitaxial perfection in functional oxide heterostructures. Herein, using Iridium/MgO(100) as a model system, the traditional “low-speed/high-temperature” paradigm is revolutionized through the combination of ab initio calculations, multiscale simulations, and subsequent deposition experiments. First-principles modeling reveals the mechanisms of Volmer–Weber (VW, island growth mode) nucleation at low coverage and Stranski–Krastanov (SK, layer-plus-island growth) transitions driven by interface metallization, stress release, and energy reduction, which facilitates coherent monolayer formation by lowering the energy barrier by ~34%. Molecular dynamics simulations demonstrate that the strategic co-optimization of substrate temperature (Tsub) and deposition rate (Vdep) induces an abrupt cliff-like drop in mosaic spread. Experimental validations confirm that this T-V synergy achieves unprecedented interfacial coherence, whereby AFM roughness reaches 0.34 nm (RMS) and the XRC-FWHM of 0.13° approaches single-crystal benchmarks. Notably, our novel “accelerated heteroepitaxy” protocol reduces growth time without compromising quality, addressing the efficiency–quality paradox in industrial-scale diamond substrate fabrication. These findings establish universal thermal–kinetic design principles applicable to refractory metal/oxide heterostructures for next-generation quantum sensors and high-power electronic devices. Full article
(This article belongs to the Special Issue Crystallization Process and Simulation Calculation, Third Edition)
Show Figures

Figure 1

Back to TopTop