jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ye TIAN | Wenwen Hu | Kun Bai
Source: Materials Science (article, 2026-03-04)
Field: Materials Science — Surfaces, Coatings and Films

Preparation of Superhydrophobic Graphene-Elastomer Composite Films and Monitoring of Their Waterproof Performance for Swimming To meet the synergistic requirements of "waterproofness, elasticity, and durability" for waterproof films in swimming equipment, this study developed a graphene-PDMS composite film and established a multi-dimensional performance evaluation system. By modifying the film with a silane coupling agent to optimize interfacial bonding, a 100 ± 5 μm thick film was prepared using a tape casting process (5 mm/s). The performance advantages of a 3 % graphene addition were specifically simulated: the film achieved a tensile strength of 8.5 MPa (a 40 % increase compared to pure PDMS) and a strength decay of only 8.2 % after 10,000 cycles. After fluor silane modification, the film exhibited a WCA of 158 ± 2° and a SA of 8 ± 1°, a 24-hour water absorption of 0.45 % (an 80 % decrease compared to pure PDMS), and a hydrostatic pressure resistance of 15 kPa (a 50 % increase compared to PTFE). Dynamic simulations indicate that after 4 hours of exposure to a 2 m/s water flow, the water permeability is less than 0.01 g/(h·cm²), and the film remains superhydrophobic (WCA &gt; 140°) after 10,000 cycles of 10 % strain. The strength decay rate after 14 days of seawater immersion is 11.8 %, surpassing all other performance indicators of conventional films. These results demonstrate that composite films with a 3 % graphene addition are suitable for swimming, providing data support for the development of waterproof equipment. Ultimate tensile strength ; Composite number ; Absorption of water ; Graphene ; Immersion (mathematics) ; Casting ; Silane ; Hydrostatic pressure Surface Modification and Superhydrophobicity ; Marine Biology and Environmental Chemistry ; Advanced Sensor and Energy Harvesting Materials
Authors: Chuanyuan Tan | Ali Ghasemi
Source: PLoS ONE (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Anisotropic fracture mechanics of pre-cracked T4,4,4-Graphyne Nanosheets: Effects of crack geometry and temperature An atomistic study is conducted to elucidate the fracture behavior of pristine and centrally pre-cracked T4,4,4-graphyne nanosheets (150 Å × 150 Å) under uniaxial tension in both X- and Y-directions. Stress-strain responses are analyzed as functions of crack length (30-60 Å), orientation (0°-90°), and temperature (200-1000 K). Elastic modulus degradation is captured by power-law and trigonometric models, yielding high correlation coefficients. Ultimate tensile strength and fracture strain are shown to decline with increasing crack length and temperature, while toughness and mode I fracture toughness illustrate anisotropic energy absorption and crack-tip shielding effects, particularly under X-loading where ligament bridging and bond rotation mechanisms are activated. Thermal softening is modeled via the Wachtman equation, revealing near-linear modulus reduction and an inversion of directional stiffness at elevated temperatures. The results demonstrate that crack-length thresholds (~30% of sheet width) and mixed-mode loading conditions critically govern the transition from ductile-like to brittle fracture regimes in anisotropic 2D graphyne nanosheets. Fracture toughness ; Anisotropy ; Fracture mechanics ; Toughness ; Stiffness ; Modulus ; Ultimate tensile strength ; Softening ; Brittleness Graphene research and applications ; Boron and Carbon Nanomaterials Research ; 2D Materials and Applications
Authors: Jiaxin Jiang | Zedong Sun | Junyu Chen | Huatan Chen | Gaofeng Zheng | xiang Wang | Ruifang Ye | Wenwang Li
Source: Scientific Reports (article, 2026-02-11)
Field: Materials Science — Biomaterials

Real-time monitoring and closed-loop control system for multi-jet electrospinning with coaxial laser The real-time monitoring and control of multi-jet electrospinning is significant to promote the quality of produced nanofiber membranes. In this paper, a multi-jet electrospinning system with coaxial laser was established to promote the jet visibility, which was beneficial for the accurate identification of jet features. A multi-jet feature recognition algorithm including the modules of image pre-processing, the jet feature segmentation and the jet feature identification was designed, and the processing time for the image processing to detect the multi-jet features of Taylor cone areas and visible jet lengths could be shortened to within 40ms. Then, the judgement rule of multi-jet ejection mode was designed and the multi-jet ejection mode was divided into four states according to the recognized jet feature parameters. Based on the identified multi-jet features, a closed-loop control system was designed with the applied voltage as the adjustment parameter. Through experimental verification, nanofiber membranes of good quality with uniform fiber diameter distribution were successfully obtained. This work has significant potential to promote the quality of produced nanofiber membranes and to accelerate the industrial applications of electrospinning technology. Electrospinning ; Coaxial ; Feature (linguistics) ; Nanofiber ; Jet (fluid) ; Segmentation ; Image processing ; Control system ; Image quality Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Electrohydrodynamics and Fluid Dynamics
Authors: Eleni Georgiou | Christopher. J. Grimes | Ian M. Reaney
Source: Journal of the American Ceramic Society (article, 2026-03-01)
Field: Materials Science — Biomaterials

Cold Sintering of Calcite: A Low‐Temperature Method for the Fabrication of Artificial Marble ABSTRACT This study presents a novel approach for the low‐temperature fabrication of dense calcite (CaCO 3 ) without the use of a carbon dioxide (CO 2 ) atmosphere. CaCO 3 powder was cold sintered (390 MPa, 150°C) using distilled water as a transient liquid, followed by heat treatment at 350°C (lower than the decomposition temperature of CaCO 3 ) for 5 hours. The resulting ceramics achieved a relative density of 95 ± 1%, compared to 76 ± 2% prior to heat treatment and 78 ± 2% for conventionally sintered samples. An optimum hardness (134 ± 24 MPa) equivalent to artificial marble was achieved after heat treatment at 350°C, indicating effective densification and strong interparticle bonding. X‐ray diffraction and Raman spectroscopy confirmed the retention of the calcite phase, with no evidence of aragonite or vaterite, demonstrating phase stability. Scanning electron microscopy micrographs revealed a dense microstructure with minimal porosity and well‐developed grain contacts, consistent with the improved mechanical performance. These results highlight the potential of cold sintering as a sustainable, low‐temperature, and binder‐free route for fabricating dense and mechanically robust CaCO 3 ceramics. Sintering ; Microstructure ; Fabrication ; Scanning electron microscope ; Porosity ; Calcite ; Distilled water ; Aragonite Calcium Carbonate Crystallization and Inhibition ; Advanced ceramic materials synthesis ; Recycling and utilization of industrial and municipal waste in materials production
Authors: Fafa Wu | J. Y. Zhang | Wanfu Shen | Chunguang Hu | Weina Zhao | Peng Yu | Taicheng An
Source: Advanced Functional Materials (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Tri‐HfGeTe <sub>4</sub> : Hybrid Tri/Tetragonal 2D Layers with Strong Anisotropy for Self‐Powered In‐Sensor Multidimensional Computing ABSTRACT Multidimensional optical sensing is crucial for advanced visual systems to accurately identify targets in complex environments. Most current two‐dimensional (2D) computational devices, however, only respond to light intensity. A key challenge is to develop novel 2D materials capable of simultaneous polarization‐resolved and spectrum‐selective detection under low‐power operation. Herein, we demonstrate that tri‐HfGeTe 4 , a narrow‐bandgap (0.6 eV) 2D semiconductor, enables zero‐bias, spectrally selective, polarity‐sensitive photodetection for self‐powered in‐sensor multidimensional computing. Especially, 2D tri‐HfGeTe 4 features a novel low‐symmetry puckered layered structure, uniquely composed of trigonal and tetragonal rings, with the trigonal motifs being reported for the first time in 2D materials. Significantly, such a unique structure gives rise to significant in‐plane anisotropy, with ratios reaching 2.08 at 671 nm and 1.86 at 1064 nm. Notably, the dominant polarization orientations of visible light and near‐infrared light are orthogonal to each other, which greatly facilitates dual‐band information discrimination. In addition, driven by the photothermoelectric effect, 2D tri‐HfGeTe 4 devices can efficiently modulate bipolar photocurrent for feature extraction without external power. More importantly, the 2D tri‐HfGeTe 4 system achieves more accurate target recognition with a high Intersection over Union (IoU) of 91%. This work paves the way for compact, efficient multidimensional visual perception systems, supporting the development of robust in‐sensor computing. Photodetection ; Multidimensional systems ; Photocurrent ; Polarization (electrochemistry) ; Intersection (aeronautics) ; Anisotropy ; Key (lock) 2D Materials and Applications ; Solar-Powered Water Purification Methods ; Advanced Photocatalysis Techniques
Authors: Shota Ono
Source: arXiv (Cornell University) (article, 2026-03-11)
Field: Materials Science — Materials Chemistry

Beyond geometrical screening in predicting two-dimensional materials This perspective overviews the family of two-dimensional (2D) materials, which have attracted significant attention due to their properties and potential applications, and discusses how novel 2D materials including van der Waals (vdW) and non-vdW 2D materials have been predicted so far. A few thousand 2D materials have been predicted to be exfoliable or dynamically/thermodynamically stable, whereas a few hundred 2D materials have been synthesized so far, highlighting a gap between the theoretical prediction and experiments. This perspective introduces the recent developments in predicting the synthesis of non-vdW 2D materials. Perspective (graphical) ; van der Waals force ; Characterization (materials science) ; Key (lock) 2D Materials and Applications ; Graphene research and applications ; Thermal properties of materials
Authors: Nur Syafiqa binti Md Nasir | Fuei Pien Chee | Norsakinah Johrin | Pak Yan Moh | Megat Muhammad Ikhsan bin Megat Hasnan | M. S. Al-Buriahi | Jackson Hian Wui Chang | Saafie Salleh | İbrahim Şen | Harzawardi Hasim
Source: Journal of Materials Science Materials in Electronics (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Structural and chemical modifications of graphene oxide induced by high-energy electron beam irradiation Electron beam irradiation has emerged as a powerful technique for modifying material properties at the atomic level, offering vast potential for advanced applications in nanotechnology and material science. This study investigates the impact of electron beam irradiation on graphene oxide (GO) thin films, focusing on structural, chemical, and electrical modifications. GO was synthesized using Hummer’s method. GO solution was drop-casted onto ITO substrate and dried. The GO thin film was then irradiated at varying doses (25 kGy to 200 kGy) using 3 MeV electron beam. Characterization was made using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy with energy-dispersive X-ray (SEM EDX), x-ray photoelectron spectroscopy (XPS), and conductive atomic force microscopy (C-AFM). XRD analysis indicated notable changes in crystallinity, pointing to structural rearrangements induced by irradiation. At the 175 kGy dose, the irradiated graphene oxide achieved the best conductivity, and the C-AFM analysis showed a particle size of approximately 9.5 nm. The XPS and EDX analyses revealed a 0.81% reduction in oxygen concentration at an irradiation GO of 100 kGy compared to unirradiated dose. This reduction trend continues to be observable up to 175 kGy, indicating progressive deoxygenation. Among tested doses, 100 kGy appears to be the most optimal for achieving significant oxygen reduction, whereas higher doses, particularly at 175 kGy, are more favorable for enhancing the material’s conductivity. At 175 kGy, the material recorded an ideality factor of 8.92 is based on C-AFM measurements. FTIR spectra confirmed significant modifications in chemical bonding, providing evidence of functional group transformations. These findings collectively demonstrate that electron beam irradiation serves a versatile tool for tuning the physiochemical properties of GO thin films, enabling precise control over the structure and functionality. The irradiation-induced alteration of GO leads to a more conductive reduced graphene oxide (rGO) with lower oxygen content. Graphene ; X-ray photoelectron spectroscopy ; Irradiation ; Oxide ; Fourier transform infrared spectroscopy ; Scanning electron microscope ; Substrate (aquarium) ; Spectroscopy ; Analytical Chemistry (journal) Graphene research and applications ; Graphite, nuclear technology, radiation studies ; Fiber-reinforced polymer composites
Authors: Takanori Ishii | Kaoru Hisama | Kohei Shinohara
Source: ArXiv.org (article, 2026-01-13)
Field: Materials Science — Materials Chemistry

Symmetry-aware Conditional Generation of Crystal Structures Using Diffusion Models The application of generative models in crystal structure prediction (CSP) has gained significant attention. Conditional generation--particularly the generation of crystal structures with specified stability or other physical properties has been actively researched for material discovery purposes. Meanwhile, the generative models capable of symmetry-aware generation are also under active development, because space group symmetry has a strong relationship with the physical properties of materials. In this study, we demonstrate that the symmetry control in the previous conditional crystal generation model may not be sufficiently effective when space group constraints are applied as a condition. To address this problem, we propose the WyckoffDiff-Adaptor, which embeds conditional generation within a WyckoffDiff architecture that effectively diffuses Wyckoff positions to achieve precise symmetry control. We successfully generated formation energy phase diagrams while specifying stable structures of particular combination of elements, such as Li--O and Ti--O systems, while simultaneously preserving the symmetry of the input conditions. The proposed method with symmetry-aware conditional generation demonstrates promising results as an effective approach to achieving the discovery of novel materials with targeted physical properties. Symmetry (geometry) ; Crystal structure prediction ; Group (periodic table) ; Stability (learning theory) ; Symmetry group ; Crystal structure ; Generative grammar ; Crystal (programming language) Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications ; Block Copolymer Self-Assembly
Authors: Haoze Han | Ming Qiao | Yuzhi Zhao | Ma Luo | Jiaqun Li | Yunshuo Zhang | Yuichi Kozawa | Jianfeng Yan
Source: Nano Research (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Ultrafast laser high precision patterning on single-crystal diamond toward micro/nano functional devices Single-crystal diamond has attracted much attention because of its wide bandgap and specific thermal and optical properties, which is suitable for the utilization on integrated photonic devices and power semiconductor devices. However, its extremely high hardness confines the processing ability of micro/nano structures, which is the main determinant of devices performance. Here, multimode patterning methods using ultrafast laser regulated in spatial-domain with high precision are proposed. Through designing of spatial beam phase, specific patterned micro/nano structures ranging from sub-micrometer scale to millimeter scale can be printed on diamond surface with improved efficiency. This provides a facile strategy for the fabrication of programmable patterns with sub-wavelength resolutions. The laser ablation and graphitization result can be precisely predicted by calculating free electron density and validated through patterning experiment. A diamond holographic element is designed and fabricated through the proposed method, which can project the reconstructed holographic image for display applications. This work presents a promising method for preparing of single-crystal diamond-based next-generation semiconductor devices and integrated photonic systems requiring precise light field control. Diamond ; Photonics ; Holography ; Laser ; Ultrashort pulse ; Fabrication ; Semiconductor ; Millimeter Diamond and Carbon-based Materials Research ; Laser Material Processing Techniques ; Photorefractive and Nonlinear Optics
Authors: Nivedita R. Gupta | Pallavi Gautam
Source: International Journal of Science and Research (IJSR) (article, 2026-03-05)
Field: Materials Science — Biomaterials

Transport of Nanoparticles in Targeted Drug Delivery System Nanoparticle-based drug delivery has emerged as a promising and evolving field in developing advanced diagnostics and therapeutics for blood flow-related disorders. A nanofluid consists of a colloidal suspension of nanoparticles, typically ranging from 10 to 100 nanometer (nm), dispersed in conventional carrier fluids such as water, oil, or even biological media like blood. Compared to conventional drug delivery systems, nanoparticles offer several advantages, including enhanced specificity, improved stability, superior drug-loading capacity, and the potential for controlled or sustained release. Both organic and inorganic nanoparticles have been widely investigated as drug carriers due to their excellent biocompatibility with tissues and cells, nanoscale size, reduced toxicity, and ability to achieve prolonged therapeutic effects. Moreover, using nanoparticles as drug delivery agents helps mitigate resistance and reduces the impact of blood flow obstruction or coagulation associated with stenosis. Targeted drug delivery aims to ensure that an appropriate amount of the therapeutic agent reaches its intended site of action. By carefully designing such delivery systems, it becomes possible to use lower doses while minimizing unwanted side effects, leading to better patient compliance. The main goal of focused drug transport is to achieve a safe and efficient interaction of the drug with the specific diseased tissue. Nanoparticle-based drug delivery plays a crucial role in treating complex conditions such as cancer, disorders involving the blood-brain barrier, and cardiovascular diseases, where precise targeting is essential to enhance therapeutic efficacy and minimize damage to healthy tissues. Mathematical modelling serves as a valuable tool for analyzing the intricate dynamics of blood flow in arterial stenosis, thereby contributing to the optimization of clinical treatments and advancements in biomedical engineering. Drug delivery ; Targeted drug delivery ; Drug ; Drug carrier ; Biocompatibility Nanoparticle-Based Drug Delivery ; Barrier Structure and Function Studies ; Nanofluid Flow and Heat Transfer
Authors: Mengjun Wang | Fanjie Xue | Xiyu Liu | Mingyue Luo | Quanyi Liang
Source: Food Science and Human Wellness (article, 2026-04-01)
Field: Materials Science — Materials Chemistry

Ratiometric Fluorescence Sensor Based on 3-Hydroxyphenylboronic Acid and Gold Nanoclusters for Ultrasensitive Detection of Xanthine and Hypoxanthine Developing a sensitive and reliable method for detecting xanthine (XT) and hypoxanthine (HX) is crucial for the early diagnosis of diseases such as hyperuricemia. Herein, we developed a ratiometric fluorescence sensor based on a target-triggered cascade reaction by integrating 3-hydroxyphenylboronic acid (3-HBA) with lysozyme-functionalized gold nanoclusters (MTL@AuNCs), enabling ultrasensitive and highly accurate detection of XT and HX. In the sensing system, hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) was generated through the catalytic oxidation of XT/HX by xanthine oxidase (XOD) in the presence of O<sub>2</sub>. The unique nucleophilic reaction between H<sub>2</sub>O<sub>2</sub> and the boric acid group resulted in the conversion of 3-HBA into resorcinol (Res), which then reacted with dopamine (DA) to form blue fluorescent azamonardine (λ<sub>em</sub> = 465 nm) compounds. This Res-DA system acts as the fluorescence-responsive unit, producing a progressively intensified emission, while the red-emitting MTL@AuNCs (λ<sub>em</sub> = 660 nm) serve as an invariant reference signal. The proposed fluorescence sensor exhibited a linear response range of 0.005-300 μM for XT and 0.01-300 μM for HX, with ultralow detection limits of 1.7 nM and 3.4 nM, respectively. This method was successfully applied to detect XT and HX in real serum and urine samples, yielding satisfactory results. Furthermore, this study provides valuable insights for designing biosensors with enhanced stability and sensitivity by incorporating a cascade reaction and internal reference fluorescence. Hypoxanthine ; Xanthine ; Fluorescence ; Detection limit ; Nanoclusters ; Biosensor ; Hydrogen peroxide ; Linear range ; Xanthine oxidase Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Ao Zhou | Salma Zahran | Chi Chen | Zhengyang Zhang | Yanming Wang
Source: ArXiv.org (article, 2026-01-08)
Field: Materials Science — Materials Chemistry

A joint voxel flow - phase field framework for ultra-long microstructure evolution prediction with physical regularization Phase-field (PF) modeling is a powerful tool for simulating microstructure evolution. To overcome the high computational cost of PF in solving complex PDEs, machine learning methods such as PINNs, convLSTM have been used to predict PF evolution. However, current methods still face shortages of low flexibility, poor generalization and short predicting time length. In this work, we present a joint framework coupling voxel-flow network (VFN) with PF simulations in an alternating manner for long-horizon temporal prediction of microstructure evolution. The VFN iteratively predicts future evolution by learning the flow of pixels from past snapshots, with periodic boundaries preserved in the process. Periodical PF simulations suppresses nonphysical artifacts, reduces accumulated error, and extends reliable prediction time length. The VFN is about 1,000 times faster than PF simulation on GPU. In validation using grain growth and spinodal decomposition, MSE and SSIM remain 6.76% and 0.911 when predicted 18 frames from only 2 input frames, outperforming similar predicting methods. For an ultra-long grain growth prediction for 82 frames from 2 input frames, grain number decreases from 600 to 29 with NMSE of average grain area remaining 1.64%. This joint framework enables rapid, generalized, flexible and physically consistent microstructure forecasting from image-based data for ultra-long time scales. Extrapolation ; Joint (building) ; Microstructure ; Regularization (linguistics) ; Structured prediction ; Generalization ; Pixel ; Overfitting Solidification and crystal growth phenomena ; Machine Learning in Materials Science ; Block Copolymer Self-Assembly