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Keywords = graphene grain boundaries

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19 pages, 35766 KB  
Article
Synergistic Strengthening of Copper by In Situ Graphene Growth and Severe Plastic Deformation
by Junaid Dar, Laxman Bhatta, Islam Hafez, Megumi Kawasaki and Dong Lin
J. Manuf. Mater. Process. 2026, 10(6), 196; https://doi.org/10.3390/jmmp10060196 - 2 Jun 2026
Viewed by 688
Abstract
High-purity copper features excellent electrical conductivity but generally low mechanical properties. Adding a three-dimensional graphene network as reinforcement to make a copper–graphene metal matrix composite is promising for a wide range of applications with better mechanical performance and functional capabilities. However, direct application [...] Read more.
High-purity copper features excellent electrical conductivity but generally low mechanical properties. Adding a three-dimensional graphene network as reinforcement to make a copper–graphene metal matrix composite is promising for a wide range of applications with better mechanical performance and functional capabilities. However, direct application in a metal matrix is difficult due to unfavorable wetting, which causes poor dispersion and weak interfacial bonding in the graphene–metal system. Here, the powder metallurgy method was used to construct a three-dimensional continuous graphene network in the copper matrix combined with high-pressure torsion. Optimized deformation/thermomechanical treatment enhanced the microstructural development processed by the severe plastic deformation method of high-pressure torsion. The primary advantage of this hybrid process is that it enables us to achieve grains with a size in the ultra-fine or even nanoscale. A homogeneous equiaxed nanostructure without segregation was observed during microstructural characterization, with a grain size of ~300 nm. This study investigated structural development during progressive deformation, and the samples were evaluated from the viewpoint of grain size and grain boundaries. The process significantly increased the microhardness of the copper–graphene composite. The tensile strength reached ~500 MPa at room temperature. The interpenetrating structural feature of graphene promoted interfacial shear stress to a high level, whereas plastic deformation increased the dislocation density and grain boundaries, thus resulting in significantly enhanced load transfer strengthening and crack-bridging toughness simultaneously. Full article
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13 pages, 4564 KB  
Article
Microstructure and Mechanical Properties of Ultrafine-Grained CrMnFeCoNi High-Entropy Alloy Prepared via Powder Metallurgy
by Sunghyuk Jang, Seonghyun Park and Jae-Gil Jung
Metals 2026, 16(2), 170; https://doi.org/10.3390/met16020170 - 1 Feb 2026
Cited by 1 | Viewed by 1080
Abstract
We studied the microstructural evolution and mechanical properties of ultrafine-grained CrMnFeCoNi high-entropy alloys fabricated by mechanical alloying of various additives and spark plasma sintering. The additives were 1 wt.% process control agent (stearic acid) + 1 wt.% graphene nanofiber (GNF) (PG) or 1 [...] Read more.
We studied the microstructural evolution and mechanical properties of ultrafine-grained CrMnFeCoNi high-entropy alloys fabricated by mechanical alloying of various additives and spark plasma sintering. The additives were 1 wt.% process control agent (stearic acid) + 1 wt.% graphene nanofiber (GNF) (PG) or 1 wt.% Y2O3 + 1 wt.% GNF (YG) to modify the constituting phase of the sintered alloy. The PG and YG powders exhibited a single FCC phase. The YG powders had a larger powder size and a smaller crystallite size than the PG powders. Ultrafine-grained FCC matrices with average particle sizes of 0.57 μm and 0.71 μm, respectively, were formed through the SPS process of PG and YG powders. The absence of PCA in YG alloys resulted in a bimodal distribution of fine and coarse grains (due to incomplete mechanical alloying) and formation of a lesser and finer Cr7C3 phase (due to reduced C content). The sintered PG alloy contained coarse (~60 nm) spinel Mn3O4 oxides along grain boundaries, whereas the YG alloy exhibited coarse Mn3O4 and fine (~17 nm) Y2O3 oxide particles along grain boundaries. Additionally, the YG alloy contained tiny (~5 nm) Y2O3 oxide particles with a cube-on-cube orientation relationship within the FCC matrix. YG alloy exhibited higher hardness and compressive yield strength than PG alloy, mainly due to the oxide dispersion strengthening of finely dispersed Y2O3 particles. The addition of Y2O3 reinforcing particles had a minimal effect on the ultimate compressive strength and fracture strain of the sintered alloy. Full article
(This article belongs to the Special Issue Feature Papers in Entropic Alloys and Meta-Metals)
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25 pages, 6536 KB  
Article
Light-Induced Interfacial Charge Transport of In2O3/Reduced Graphene Oxide/Non-Conjugated Polymers in a Wide Range of the Light Spectrum
by Xingfa Ma, Xintao Zhang, Mingjun Gao, Ruifen Hu, You Wang and Guang Li
Coatings 2025, 15(12), 1448; https://doi.org/10.3390/coatings15121448 - 8 Dec 2025
Cited by 1 | Viewed by 627
Abstract
To increase the use of the near-infrared (NIR) light from In2O3, a nanocomposite of In2O3/reduced graphene oxide was synthesised. To improve adhesion to the substrates, a small amount of PVA (polyvinyl alcohol) was added to [...] Read more.
To increase the use of the near-infrared (NIR) light from In2O3, a nanocomposite of In2O3/reduced graphene oxide was synthesised. To improve adhesion to the substrates, a small amount of PVA (polyvinyl alcohol) was added to the nanocomposite. Results showed that adding an appropriate amount of PVA to the nanocomposite remarkably enhanced the ability to extract photogenerated carriers due to interface optimisation based on the grain boundary filling with PVA and charge tunnelling effects. The nanocomposites exhibited photoconductive switching responses from the visible light region to the near-infrared range. Meanwhile, the organic/inorganic hybrid coating on silk fibres exhibited mutual conversion of positive and negative photoconductivity, as well as electrical switching responses to applied strain. Furthermore, it was found that a photoelectric signal could still be determined with zero bias after the In2O3/reduced graphene oxide nanocomposite had been stored for over four years. This reflects that the nanocomposites have an internal electric field that promotes the transfer of photogenerated carriers and prevents the recombination of photogenerated electrons and holes. Similar results were also obtained by adding an appropriate amount of other non-conjugated polymers, such as dendrimers. Physical mechanisms are discussed. This study provides reference values for the development of multifunctional organic/inorganic hybrids integrating non-conjugated polymer components to enhance specific properties. Full article
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17 pages, 17747 KB  
Article
Phase-Field Crystal Method for Bilayer Graphene
by Heting Qiao and Kai Liu
Nanomaterials 2025, 15(22), 1699; https://doi.org/10.3390/nano15221699 - 10 Nov 2025
Viewed by 1116
Abstract
Bilayer graphene has been a subject of intense study in recent years. Its most common structure is AB (Bernal) stacking, where one layer is shifted relative to the other, leading to distinct electronic behaviors compared to the less stable AA stacking or the [...] Read more.
Bilayer graphene has been a subject of intense study in recent years. Its most common structure is AB (Bernal) stacking, where one layer is shifted relative to the other, leading to distinct electronic behaviors compared to the less stable AA stacking or the fascinating twisted configurations. We extend a structural phase field crystal method to include an external potential based on the generalized stacking-fault energy that accounts for the effect from a bottom layer of graphene. Both of the favored stacking variants AB and BA are found with randomly generated initial phase fields. Using the width of the boundaries between different stacking variants as a function of the interactions between the two layers, we quantify the exact strength of the external potential by comparing the phase field crystal simulations with the results from atomistic simulation. Finally, we simulate a circular grain of one stacking phase enclosed by the other and find that, depending on the initial phase field, the center domain may shrink to form a uniform stacking phase, or may evolve to a relaxed state of a hexagon region or a triangular region that at each vertex the graphene structure is defected. Full article
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13 pages, 1798 KB  
Article
Direct Synthesis of Single-Crystalline Bilayer Graphene on Dielectric Substrate
by Zuoquan Tan, Xianqin Xing, Yimei Fang, Le Huang, Shunqing Wu, Zhiyong Zhang, Le Wang, Xiangping Chen and Shanshan Chen
Nanomaterials 2025, 15(21), 1629; https://doi.org/10.3390/nano15211629 - 25 Oct 2025
Viewed by 1412
Abstract
Direct growth of high-quality, Bernal-stacked bilayer graphene (BLG) on dielectric substrates is crucial for electronic and optoelectronic devices, yet it remains hindered by poor film quality, uncontrollable thickness, and high-density grain boundaries. In this work, a facile, catalyst-assisted method to grow high-quality, single-crystalline [...] Read more.
Direct growth of high-quality, Bernal-stacked bilayer graphene (BLG) on dielectric substrates is crucial for electronic and optoelectronic devices, yet it remains hindered by poor film quality, uncontrollable thickness, and high-density grain boundaries. In this work, a facile, catalyst-assisted method to grow high-quality, single-crystalline BLG directly on dielectric substrates (SiO2/Si, sapphire, and quartz) was demonstrated. A single-crystal monolayer graphene template was first employed as a seed layer to facilitate the homoepitaxial synthesis of single-crystalline BLG directly on insulating substrates. Nanostructure Cu powders were used as the remote catalysis to provide long-lasting catalytic activity during the graphene growth. Transmission electron microscopy confirms the single-crystalline nature of the resulting BLG domains, which validates the superiority of the homoepitaxial growth technique. Raman spectroscopy and electrical measurement results indicate that the quality of the as-grown BLG is comparable to that on metal substrate surfaces. Field-effect transistors fabricated directly on the as-grown BLG/SiO2/Si showed a room temperature carrier mobility as high as 2297 ± 3 cm2 V−1 s−1, which is comparable to BLG grown on Cu and much higher than that reported on in-sulators. Full article
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13 pages, 3509 KB  
Article
Sol–Gel Synthesis and Multi-Technique Characterization of Graphene-Modified Ca2.95Eu0.05Co4Ox Nanomaterials
by Serhat Koçyiğit
Polymers 2025, 17(20), 2767; https://doi.org/10.3390/polym17202767 - 16 Oct 2025
Viewed by 923
Abstract
This study employs a multi-technique approach to elucidate how graphene incorporation affects phase formation, microstructure, and thermal behavior in PVA-assisted sol–gel synthesized Ca2.95Eu0.05Co4Ox nanomaterials. XRD confirms the preservation of the primary phases (hexagonal CaCO3 and [...] Read more.
This study employs a multi-technique approach to elucidate how graphene incorporation affects phase formation, microstructure, and thermal behavior in PVA-assisted sol–gel synthesized Ca2.95Eu0.05Co4Ox nanomaterials. XRD confirms the preservation of the primary phases (hexagonal CaCO3 and cubic CoO) alongside a distinct graphene (002) reflection; a systematic low-angle shift of the calcite (104) peak evidences partial relaxation of residual lattice strain with increasing graphene content, while Scherrer analysis indicates tunable crystallite size. Raman spectroscopy corroborates graphene incorporation through pronounced D (~1300 cm−1) and G (~1580 cm−1) bands and supports the XRD-identified phase coexistence via cobalt-oxide and calcite vibrations in the 200–700 cm−1 region, also indicating increased defect/disorder with graphene loading. SEM shows grain refinement, denser/bridged lamellar textures, and reduced porosity at low–moderate graphene contents (1–3 wt.%), contrasted by agglomeration-driven heterogeneity at higher loadings (5–7 wt.%). EDX reveals increasing carbon with Ca/Co redistribution at accessible surfaces, and TG–DSC corroborates the removal of oxygen-containing groups and oxidative combustion of graphene at mid temperatures. Collectively, Raman–XRD-consistent evidence demonstrates that graphene provides a tunable handle over lattice strain, crystallite size, and grain-boundary architecture, establishing a processing–composition basis for optimizing functional (e.g., electrical/thermoelectric) performance. Full article
(This article belongs to the Special Issue Polymers in Inorganic Chemistry: Synthesis and Applications)
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17 pages, 3417 KB  
Article
Graphene/Zirconia Composites for Components in Solid Oxide Fuel Cells: Microstructure and Electrical Conductivity
by Francisco J. Coto-Ruiz, Ana de la Cruz-Blanco, Rocío Moriche, Ana Morales-Rodríguez and Rosalía Poyato
Nanomaterials 2025, 15(17), 1314; https://doi.org/10.3390/nano15171314 - 26 Aug 2025
Cited by 2 | Viewed by 1691
Abstract
In this paper, 8 mol% yttria cubic stabilized zirconia (8YCSZ) composites with reduced graphene oxide (rGO) contents up to 10 vol% were consolidated by spark plasma sintering (SPS) at two different temperatures with the aim of evaluating the relationship of their electrical properties [...] Read more.
In this paper, 8 mol% yttria cubic stabilized zirconia (8YCSZ) composites with reduced graphene oxide (rGO) contents up to 10 vol% were consolidated by spark plasma sintering (SPS) at two different temperatures with the aim of evaluating the relationship of their electrical properties with the graphene content, the rGO crystallinity, and the microstructural features. Successful in situ reduction of GO was accomplished during SPS, and highly densified composites with homogeneous rGO distribution, even at the highest contents, were obtained. The electrical properties were analyzed using impedance spectroscopy. Measurements were taken up to 700 °C, revealing an inductive response for the composites with 5 and 10 vol% rGO and a capacitive response for the composites with 1 and 2.5 vol% rGO. The results indicate that, along with the ionic conduction typical of zirconia, there are additional polarization mechanisms associated with the presence of graphene at ceramic grain boundaries that substantially modify the impedance response. A minor electronic conductivity contribution was identified in the composites below the percolation threshold. These characteristics make the 8YCSZ composites promising candidates for application as SOFC components, as ceramic interconnects when the graphene content is above the percolation threshold, or as electrolytes when the graphene content is below this limit. Full article
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16 pages, 1328 KB  
Article
Low-Frequency Noise Characteristics of Graphene/h-BN/Si Junctions
by Justinas Glemža, Ingrida Pliaterytė, Jonas Matukas, Rimantas Gudaitis, Andrius Vasiliauskas, Šarūnas Jankauskas and Šarūnas Meškinis
Crystals 2025, 15(9), 747; https://doi.org/10.3390/cryst15090747 - 22 Aug 2025
Cited by 5 | Viewed by 2064
Abstract
Graphene/h-BN/Si heterostructures show considerable potential for future use in infrared detection and photovoltaic technologies due to their adjustable electrical behavior and well-matched interfacial structure. The near-lattice match between graphene and hexagonal boron nitride (h-BN) enables the deposition of low-defect-density graphene on h-BN surfaces. [...] Read more.
Graphene/h-BN/Si heterostructures show considerable potential for future use in infrared detection and photovoltaic technologies due to their adjustable electrical behavior and well-matched interfacial structure. The near-lattice match between graphene and hexagonal boron nitride (h-BN) enables the deposition of low-defect-density graphene on h-BN surfaces. This study presents a thorough exploration of the low-frequency electrical noise behavior of graphene/h-BN/Si heterojunctions under both forward and reverse bias conditions at room temperature. Graphene nanolayers were directly grown on h-BN films using microwave plasma-enhanced CVD. The h-BN layers were formed by reactive high-power impulse magnetron sputtering (HIPIMS). Four h-BN thicknesses were examined: 1 nm, 3 nm, 5 nm, and 15 nm. A reference graphene/Si junction (without h-BN) prepared under identical synthesis conditions was also studied for comparison. Low-frequency noise analysis enabled the identification of dominant charge transport mechanisms in the different device structures. Our results demonstrate that grain boundaries act as dominant defects contributing to increased noise intensity under high forward bias. Statistical analysis of voltage noise spectral density across multiple samples, supported by Raman spectroscopy, reveals that hydrogen-related defects significantly contribute to 1/f noise in the linear region of the junction’s current–voltage characteristics. This study provides the first in-depth insight into the impact of h-BN interlayers on low-frequency noise in graphene/Si heterojunctions. Full article
(This article belongs to the Special Issue Recent Advances in Graphene and Other Two-Dimensional Materials)
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20 pages, 5152 KB  
Article
Grain Boundary Regulation in Aggregated States of MnOx Nanofibres and the Photoelectric Properties of Their Nanocomposites Across a Broadband Light Spectrum
by Xingfa Ma, Xintao Zhang, Mingjun Gao, Ruifen Hu, You Wang and Guang Li
Coatings 2025, 15(8), 920; https://doi.org/10.3390/coatings15080920 - 6 Aug 2025
Cited by 1 | Viewed by 913
Abstract
Improving charge transport in the aggregated state of nanocomposites is challenging due to the large number of defects present at grain boundaries. To enhance the charge transfer and photogenerated carrier extraction of MnOx nanofibers, a MnOx/GO (graphene oxide) nanocomposite was [...] Read more.
Improving charge transport in the aggregated state of nanocomposites is challenging due to the large number of defects present at grain boundaries. To enhance the charge transfer and photogenerated carrier extraction of MnOx nanofibers, a MnOx/GO (graphene oxide) nanocomposite was prepared. The effects of GO content and bias on the optoelectronic properties were studied. Representative light sources at 405, 650, 780, 808, 980, and 1064 nm were used to examine the photoelectric signals. The results indicate that the MnOx/GO nanocomposites have photocurrent switching behaviours from the visible region to the NIR (near-infrared) when the amount of GO added is optimised. It was also found that even with zero bias and storage of the nanocomposite sample at room temperature for over 8 years, a good photoelectric signal could still be extracted. This demonstrates that the MnOx/GO nanocomposites present a strong built-in electric field that drives the directional motion of photogenerated carriers, avoids the photogenerated carrier recombination, and reflect a good photophysical stability. The strength of the built-in electric field is strongly affected by the component ratios of the resulting nanocomposite. The formation of the built-in electric field results from interfacial charge transfer in the nanocomposite. Modulating the charge behaviour of nanocomposites can significantly improve the physicochemical properties of materials when excited by light with different wavelengths and can be used in multidisciplinary applications. Since the recombination of photogenerated electron–hole pairs is the key bottleneck in multidisciplinary fields, this study provides a simple, low-cost method of tailoring defects at grain boundaries in the aggregated state of nanocomposites. These results can be used as a reference for multidisciplinary fields with low energy consumption. Full article
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14 pages, 3265 KB  
Article
Graphene/PtSe2/Ultra-Thin SiO2/Si Broadband Photodetector with Large Responsivity and Fast Response Time
by Qing-Hai Zhu, Jian Chai, Shi-Yu Wei, Jia-Bao Sun, Yi-Jun Sun, Daisuke Kiriya and Ming-Sheng Xu
Nanomaterials 2025, 15(7), 519; https://doi.org/10.3390/nano15070519 - 29 Mar 2025
Cited by 13 | Viewed by 2694
Abstract
Burgeoning two-dimensional (2D) materials provide more opportunities to overcome the shortcomings of silicon-based photodetectors. However, the inevitable carrier loss in the 2D material/Si heterojunction has seriously hindered further improvement in responsivity and detection speed. Here, we propose a graphene/PtSe2/ultra-thin SiO2 [...] Read more.
Burgeoning two-dimensional (2D) materials provide more opportunities to overcome the shortcomings of silicon-based photodetectors. However, the inevitable carrier loss in the 2D material/Si heterojunction has seriously hindered further improvement in responsivity and detection speed. Here, we propose a graphene/PtSe2/ultra-thin SiO2/Si photodetector (PD) with multiple optimization mechanisms. Due to the fact that photo-generated carriers can travel in the graphene plane toward the Au electrode, the introduction of a top graphene contact with low sheet resistance provides a carrier collection path in the vertical direction and further restricts the carrier recombination behavior at the lateral grain boundary of PtSe2 film. The ultra-thin SiO2 passivation layer reduces the defects at the PtSe2/Si heterojunction interface. As compared to the counterpart device without the graphene top contact, the responsivity, specific detectivity, and response speed of graphene/PtSe2/ultra-thin SiO2/Si PD under 808 nm illumination are improved to 0.572 A/W, 1.50 × 1011 Jones, and 17.3/38.8 µs, respectively. The device can detect broad-spectrum optical signals as measured from 375 nm to 1550 nm under zero bias. The PD line array with 16-pixel units shows good near-infrared imaging ability at room temperature. Our study will provide guiding significance for how to improve the comprehensive properties of PDs based on 2D/Si heterostructure for practical applications. Full article
(This article belongs to the Section Nanoelectronics, Nanosensors and Devices)
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8 pages, 4688 KB  
Article
Grain Boundary Guided Folding of Graphene for Twisted Bilayer Graphene
by Feiru Feng, Kun Zhou, Kang Zhang, Liya Wang, Ruijie Wang, Jun Xia and Chun Tang
Nanomaterials 2025, 15(7), 482; https://doi.org/10.3390/nano15070482 - 24 Mar 2025
Cited by 3 | Viewed by 1502
Abstract
Bilayer graphene exhibits intriguing physical and mechanical properties that are suitable for advanced electronic device applications. By introducing a new degree of freedom through interlayer twisting, exotic phenomena such as superconductivity can arise. However, in practical experiments, manual manipulation is often required to [...] Read more.
Bilayer graphene exhibits intriguing physical and mechanical properties that are suitable for advanced electronic device applications. By introducing a new degree of freedom through interlayer twisting, exotic phenomena such as superconductivity can arise. However, in practical experiments, manual manipulation is often required to fabricate such a configuration and therefore, scaled production of magic angle bilayer graphene is challenging. In this work, we propose utilizing the grain boundaries and accompanying localized out-of-plane deformation in graphene to facilitate twisted bi-layer graphene formation. Based on molecular dynamics simulations, the structure folding process along the boundary line is examined where a lower energetic cost is found. Once stabilized, the folded bilayer structure shows twist angles that differ visibly from the conventional AA or AB stacking modes and can achieve twist angles close to the 1.1° magic angle. This observation suggests a potential novel strategy for synthesizing stable twisted bilayer graphene or other two dimensional van der Waals heterostructures with greater efficiency. Full article
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17 pages, 22554 KB  
Article
Static and Fatigue Strength of Graphene Nanoplatelet-Reinforced AA6061-T6 Friction Stir Spot-Welded Lap Joints
by Amir Alkhafaji, Daniel Camas and Hayder Al-Asadi
J. Manuf. Mater. Process. 2025, 9(3), 98; https://doi.org/10.3390/jmmp9030098 - 18 Mar 2025
Cited by 3 | Viewed by 1510
Abstract
Despite the significant economic and environmental advantages of friction stir spot welding (FSSW) and its amazing results in welding similar and dissimilar metals and alloys, some of which were known as unweldable, it has some structural and characteristic defects such as keyhole formation, [...] Read more.
Despite the significant economic and environmental advantages of friction stir spot welding (FSSW) and its amazing results in welding similar and dissimilar metals and alloys, some of which were known as unweldable, it has some structural and characteristic defects such as keyhole formation, hook defects, and bond line oxidation. This has prompted researchers to focus on these defects and propose and investigate techniques to treat or compensate for their deteriorating effects on microstructural and mechanical properties under different loading conditions. In this experimental study, sheets of AA6061-T6 aluminum alloy with a thickness of 1.8 mm were employed to investigate the influence of reinforcement by graphene nanoplatelets (GNPs) with lateral sizes of 1–10 µm and thicknesses of 3–9 nm on the static and fatigue behavior of FSSW lap joints. The welding process was carried out with constant, predetermined welding parameters and a constant amount of nanofiller throughout the experiment. Cross-sections of as-welded specimens were tested by optical microscope (OM) and energy-dispersive spectroscopy (EDS) to ensure the incorporation of the nanographene into the matrix of the base alloy by measuring the weight percentage (wt.%) of carbon. Microhardness and tensile tests revealed a significant improvement in both tensile shear strength and micro-Vickers hardness due to the reinforcement process. The fatigue behavior of the GNP-reinforced FSSW specimens was evaluated under low and high cycle fatigue conditions. The reinforcement process had a detrimental effect on the fatigue life of the joints under cyclic loading conditions. The microstructural analysis and examinations conducted during this study revealed that this reduction in fatigue strength is attributed to the agglomeration of GNPs at the grain boundaries of the aluminum matrix, leading to porosity in the stir zone (SZ), the formation of continuous brittle phases, and a transition in the fracture mechanism from ductile to brittle. The experimental results, including fracture modes, are presented and thoroughly discussed. Full article
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11 pages, 3468 KB  
Article
Large-Scale Atomistic Simulation of Sintering Process and Mechanical Properties of Al Matrix Composite with Different Reinforcements
by Yongchao Zhu, Can Sui, Na Li, Lijuan Sun and Songtao Li
Metals 2024, 14(11), 1312; https://doi.org/10.3390/met14111312 - 20 Nov 2024
Cited by 1 | Viewed by 1509
Abstract
Through molecular dynamics methods, composite models built with a large scale were employed to investigate the effects of different reinforcements, which were different from those used in most of the similar studies, where only a graphene nanosheet (GNS) or a rigid spherical particle [...] Read more.
Through molecular dynamics methods, composite models built with a large scale were employed to investigate the effects of different reinforcements, which were different from those used in most of the similar studies, where only a graphene nanosheet (GNS) or a rigid spherical particle was embedded in a metal matrix. Here, 27 GNSs or diamond particles were placed in the empty spaces between Al particles with random directions. Then, Al matrix composites were prepared by modeling a sintering process. Structural analysis and tensile modeling were carried out on the sintered composites. The results indicate that the density of the Al–graphene composite was higher and increased with growth in the size of the reinforcements, although the Al–graphene system required more heating time to achieve densification. Bigger GNSs were likely to increase the pore volume of the composite. Meanwhile, larger GNSs were also more beneficial for grain refinement, leading to growth in the ratio of Al atoms at grain boundaries. The greater impact of GNSs on the inner structure was not just derived from their high specific surface area, and this impact was enlarged if drawn as a function of the weight fraction rather than the surface area. However, tensile processes revealed that two-dimensional (2D) materials seemed to have no clear impact on the direct strengthening effect, and anisotropy could not be observed in the large-scale models. The biggest GNSs even led to reductions in both the tensile strength and ductility of the Al–graphene composite, which coincided with some experimental reports. The evolution of the inner structures indicated that GNSs have the same role as diamond particles in dislocation accumulation and crack propagation. The major advantage of GNSs is their ability to improve the densification and grain refinement of the metal matrix composite (MMC). Full article
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18 pages, 15399 KB  
Article
Molecular Dynamics Study on the Tribological Characteristics of Grain Boundary-Containing Graphene/h-BN Heterostructure Films
by Bo Zhao, Shifan Huang, Yutao Zhang, Xiangcheng Ju, Chengbang Li, Zhenglin Li and Lingji Xu
Lubricants 2024, 12(8), 296; https://doi.org/10.3390/lubricants12080296 - 22 Aug 2024
Cited by 6 | Viewed by 2004
Abstract
A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly [...] Read more.
A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly affect the performance of the film. In this study, the tribological properties and wear mechanism of heterostructure films with different GB misorientation angles were studied with the molecular dynamics method. The results show that the high-energy atoms generated by strain-induced hillocks along the GBs can lead to stress concentration, thus deteriorating the wear resistance of the heterostructure film. Furthermore, point defects occurring on high-energy atoms can significantly alleviate the stress concentration, which is conducive to improving the wear resistance of the film. This study sheds light on improving the tribological characteristics of a graphene/h-BN heterostructure coating by properly controlling its microstructure. Full article
(This article belongs to the Special Issue Advances in Molecular Rheology and Tribology)
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14 pages, 1387 KB  
Article
Corrosion Resistance of Atomically Thin Graphene Coatings on Single Crystal Copper
by Md Mahmudul Hasan, Ramesh Devadig, Pawan Sigdel, Alexey Lipatov, Recep Avci, Bharat K. Jasthi and Venkataramana Gadhamshetty
Coatings 2024, 14(6), 656; https://doi.org/10.3390/coatings14060656 - 22 May 2024
Cited by 5 | Viewed by 3742
Abstract
Designing minimally invasive, defect-free coatings based on conformal graphene layers to shield metals from both abiotic and biotic forms of corrosion is a persistent challenge. Single-layer graphene (SLG) grown on polycrystalline copper (PC-Cu) surfaces often have inherent defects, particularly at Cu grain boundaries, [...] Read more.
Designing minimally invasive, defect-free coatings based on conformal graphene layers to shield metals from both abiotic and biotic forms of corrosion is a persistent challenge. Single-layer graphene (SLG) grown on polycrystalline copper (PC-Cu) surfaces often have inherent defects, particularly at Cu grain boundaries, which weaken their barrier properties and worsen corrosion through grain-dependent mechanisms. Here, we report that an SLG grown via chemical vapor deposition (CVD) on Cu (111) single crystal serves as a high-performance coating to lower corrosion by nearly 4–6 times (lower than bare Cu (111)) in abiotic (sulfuric acid) and microbiologically influenced corrosion (MIC) environments. For example, the charge transfer resistance for SLG/Cu (111) (3.95 kΩ cm2) was 2.5-fold higher than for bare Cu (111) (1.71 kΩ cm2). Tafel analysis corroborated a reduced corrosion current (42 ± 3 µA cm−2) for SLG/Cu (111) compared to bare Cu (111) (115 ± 7 µA cm−2). These findings are consistent with the results based on biofilm measurements. The SLG/Cu (111) reduced biofilm formation by 3-fold compared to bare Cu (111), increasing corrosion resistance, and effectively mitigating pitting corrosion. The average depths of the pits (3.4 ± 0.6 µm) for SLG/Cu (111) were notably shallower than those of bare Cu (111) (6.5 ± 1.2 µm). Surface analysis of the corrosion products corroborated these findings, with copper sulfide identified as a major component across both surfaces. The absence of grain boundaries in Cu (111) resulted in high-quality SLG manifesting higher barrier properties compared to SLG on PC-Cu. Our findings show promise for using the presented strategy for developing durable graphene coatings against diverse forms of corrosion. Full article
(This article belongs to the Special Issue Wear-Resistance and Corrosion-Resistance Coatings)
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