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1.
Proc Natl Acad Sci U S A ; 121(22): e2322663121, 2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38768354

RESUMO

The fangs, jaws, and mandibles of marine invertebrates such as Chiton and Glycera show excellent mechanical properties, which are mostly contributed to the interactions between metal (Fe, Cu, Zn, etc.) and oxygen-containing functional groups in proteins. Inspired by these load-bearing skeletal biomaterials, we improved tensile strength and toughness of graphene films through bridging graphene oxide (GO) nanosheets by metal ions. By optimizing the metal coordination form and density of cross-linking network. We revealed the relationship between mechanical properties and the unique spatial geometry of the GO nanosheets bridged by different valence metal ions. The results demonstrated that the divalent metal ions form tetrahedral geometry with carboxylate groups on the edges of the GO nanosheets, and the bond energy is relatively low, which is helpful for improving the toughness of resultant graphene films. While the trivalent metal ions are easily to form octahedral geometry with the GO nanosheets with higher bond energy, which is better for enhancing the tensile strength of graphene films. After reduction, the reduced GO (rGO) film bridged by divalent metal ions shows 43% improvement in toughness, while the rGO film bridged by trivalent metal ions shows 64% improvement in tensile strength. Our work reveals the mechanism of metal coordination bond energy and spatial geometry to improve the mechanical properties of graphene films, which lays a theoretical foundation for improving the tensile strength and toughness of resultant graphene films, and provides an avenue for fabricating high-performance graphene films and other two-dimensional nanocomposites.

2.
Proc Natl Acad Sci U S A ; 120(27): e2304498120, 2023 Jul 04.
Artigo em Inglês | MEDLINE | ID: mdl-37364121

RESUMO

The attainment of both high strength and toughness is the ultimate goal for most structural materials. Although ceramic material has been considered for use as a structural material due to its high strength and good chemical stability, it suffers from the limitation of low toughness. For instance, although Y2O3-stabilized tetragonal ZrO2 polycrystals (Y-TZPs) exhibit remarkable toughness among ceramics due to their phase transformation toughening mechanism, this toughness is still much weaker than that of metals. Here, we report Y-TZP-based ceramic materials with toughnesses exceeding 20 MPa m1/2, which is comparable to those of metals, while maintaining strengths over 1,200 MPa. The superior mechanical properties are realized by reducing the phase stability of tetragonal zirconia by tailoring the microstructure and chemistry of the Y-TZP. The proposed ceramic materials can further advance the design and application of ceramic-based structural materials.

3.
Proc Natl Acad Sci U S A ; 120(6): e2217781120, 2023 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-36716369

RESUMO

Soft materials fail by crack propagation under external loads. While fracture toughness of a soft material can be enhanced by orders of magnitude, its fatigue threshold remains insusceptible. In this work, we demonstrate a crack tip softening (CTS) concept to simultaneously improve the toughness and threshold of a single polymeric network. Polyacrylamide hydrogels have been selected as a model material. The polymer network is cured by two kinds of crosslinkers: a normal crosslinker and a light-degradable crosslinker. We characterize the pristine sample and light-treated sample by shear modulus, fracture toughness, fatigue threshold, and fractocohesive length. Notably, we apply light at the crack tip of a sample so that the light-sensitive crosslinkers degrade, resulting in a CTS sample with a softer and elastic crack tip. The pristine sample has a fracture toughness of 748.3 ± 15.19 J/m2 and a fatigue threshold of 9.3 J/m2. By comparison, the CTS sample has a fracture toughness of 2,774.6 ± 127.14 J/m2 and a fatigue threshold of 33.8 J/m2. Both fracture toughness and fatigue threshold have been enhanced by about four times. We attribute this simultaneous enhancement to stress de-concentration and elastic shielding at the crack tip. Different from the "fiber/matrix composite" concept and the "crystallization at the crack tip" concept, the CTS concept in the present work provides another option to simultaneously enhance the toughness and threshold, which improves the reliability of soft devices during applications.

4.
Small ; 20(20): e2307019, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38111366

RESUMO

The increasing demand for wearable electronics calls for advanced energy storage solutions that integrate high  electrochemical performances and mechanical robustness. Ionogel is a promising candidate due to its stretchability combined with high ionic conductivity. However, simultaneously optimizing both the electrochemical and mechanical performance of ionogels remains a challenge. This paper reports a tough and highly ion-conductive ionogel through ion impregnation and solvent exchange. The fabricated ionogel consists of double interpenetrating networks of long polymer chains that provide high stretchability. The polymer chains are crosslinked by hydrogen bonds that induce large energy dissipation for enhanced toughness. The resultant ionogel possesses mechanical stretchability of 26, tensile strength of 1.34 MPa, and fracture toughness of 4175 J m-2. Meanwhile, due to the high ion concentrations and ion mobility in the gel, a high ionic conductivity of 3.18 S m-1 at room temperature is achieved. A supercapacitor of this ionogel sandwiched with porous fiber electrodes provides remarkable areal capacitance (615 mF cm-2 at 1 mA cm-2), energy density (341.7 µWh cm-2 at 1 mA cm-2), and power density (20 mW cm-2 at 10 mA cm-2), offering significant advantages in applications where high efficiency, compact size, and rapid energy delivery are crucial, such as flexible and wearable electronics.

5.
Small ; 20(25): e2310046, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38183373

RESUMO

Hydrogels are widely used in tissue engineering, soft robotics and wearable electronics. However, it is difficult to achieve both the required toughness and stiffness, which severely hampers their application as load-bearing materials. This study presents a strategy to develop a hard and tough composite hydrogel. Herein, flexible SiO2 nanofibers (SNF) are dispersed homogeneously in a polyvinyl alcohol (PVA) matrix using the synergistic effect of freeze-drying and annealing through the phase separation, the modulation of macromolecular chain movement and the promotion of macromolecular crystallization. When the stress is applied, the strong molecular interaction between PVA and SNF effectively disperses the load damage to the substrate. Freeze-dried and annealed-flexible SiO2 nanofibers/polyvinyl alcohol (FDA-SNF/PVA) reaches a preferred balance between enhanced stiffness (13.71 ± 0.28 MPa) and toughness (9.9 ± 0.4 MJ m-3). Besides, FDA-SNF/PVA hydrogel has a high tensile strength of 7.84 ± 0.10 MPa, super elasticity (no plastic deformation under 100 cycles of stretching), fast deformation recovery ability and excellent mechanical properties that are superior to the other tough PVA hydrogels, providing an effective way to optimize the mechanical properties of hydrogels for potential applications in artificial tendons and ligaments.

6.
Small ; 20(25): e2305557, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38193273

RESUMO

Hydrogels possess unique polymer networks that offer flexibility/stretchability, high ionic conductivity, and resistance to electrolyte leakage, making them suitable for deformable energy storage devices. Endowing the mechanical functionality of the hydrogel electrolytes focus on either enhancing the stretchability or the toughness. However, the stretchability and the toughness are generally a trade-off that the stretchable gels are intrinsically prone to damage and sensitive to notches and cracks. Here, the regulating strategies on the hydrogel's mechanical properties are provided to develop the designated hydrogel electrolyte, where different polymeric network structures are constructed, including single network structures, semi-interpenetrating network structures, and interpenetrating dual-network structures. A comprehensive comparison of these polymer network structures is conducted to evaluate their mechanical stretchability and toughness. Designing super-tough and super-stretchable hydrogels based on specific application requirements can be realized by striking a balance by regulating the hydrogel structure. In specific, incorporating semi-interpenetrating networks significantly can enhance stretchability to achieve a break elongation up to 1300%, while the interpenetrating dual-networks can largely improve the toughness to realize the extraordinary fracture toughness of 6.843 kJ m-2. These findings offer valuable designing guidance for designated hydrogel electrolytes and the deformable zinc-silver battery is demonstrated with high mechanical stability and electrochemical performance.

7.
Small ; : e2402265, 2024 May 16.
Artigo em Inglês | MEDLINE | ID: mdl-38757418

RESUMO

The emerging applications of thermally conductive elastomer composites in modern electronic devices for heat dissipation require them to maintain both high toughness and resilience under thermomechanical stresses. However, such a combination of thermal conductivity and desired mechanical characteristics is extremely challenging to achieve in elastomer composites. Here this long-standing mismatch is resolved via regulating interfacial structure and dynamics response. This regulation is realized both by tuning the molecular weight of the dangling chains in the polymer networks and by silane grafting of the fillers, thereby creating a broad dynamic-gradient interfacial region comprising of entanglements. These entanglements can provide the slipping topological constraint that allows for tension equalization between and along the chains, while also tightening into rigid knots to prevent chain disentanglement upon stretching. Combined with ultrahigh loading of aluminum-fillers (90 wt%), this design provides a low Young's modulus (350.0 kPa), high fracture toughness (831.5 J m-2), excellent resilience (79%) and enhanced thermal conductivity (3.20 W m-1 k-1). This work presents a generalizable preparation strategy toward engineering soft, tough, and resilient high-filled elastomer composites, suitable for complex environments, such as automotive electronics, and wearable devices.

8.
Small ; : e2402124, 2024 Apr 09.
Artigo em Inglês | MEDLINE | ID: mdl-38593327

RESUMO

Developing a silicone elastomer with high strength, exceptional toughness, good crack tolerance, healability, and recyclability, poses significant challenges due to the inherent trade-offs between these properties. Herein, the design of silicone-based elastomers with a nanoscopic microphase separation structure and comprehensive mechanical properties is achieved by combining bi-incompatible soft segments and multi-scale hydrogen bonds. The formation of multi-scale hydrogen bonds involving urethane, urea, and 2-ureido-4[1H]-pyrimidinone (UPy) facilitates efficient reversible crosslinking of the synthesized polymer containing thermodynamically incompatible poly(dimethylsiloxane) (PDMS) and poly(propylene glycol) (PPG). The dynamic dissociation and recombination of hydrogen bonds, coupled with the forced compatibility and spontaneous separation of bi-incompatible soft segments, can effectively dissipate energy, particularly in the crack region during the stretching process. The obtained silicone-based elastomer exhibits a high break strength of 8.0 MPa, good elongation at break of 1910%, ultrahigh toughness of 67.8 MJ m-3, and unprecedented fracture energy of 31.8 kJ m-2 while maintaining their thermal stability, hydrophobicity, healability, and recyclability. This resilient and long-lasting silicone-based elastomer exhibits significant potential for use in flexible electronic devices.

9.
Chemistry ; 30(27): e202400584, 2024 May 14.
Artigo em Inglês | MEDLINE | ID: mdl-38451164

RESUMO

Solid polymer electrolytes (SPEs) have garnered extensive attention as potential alternatives to traditional liquid electrolytes, primarily due to their prowess in curbing lithium dendrite formation and preventing electrolyte leaks. The quest for SPEs that are both mechanically robust and exhibit superior ionic conductivity has been vigorous. However, achieving a harmonious balance between these two attributes remains a significant challenge. In this study, we introduce a novel quasi-solid electrolyte, ingeniously crafted from a poly(urethane-urea) network, enriched with lithium salts and plasticizers. This innovative composition not only boasts remarkable toughness but also ensures commendable ionic conductivity. Our post-gelation method yields gel polymer electrolytes that undergo rigorous evaluation, leading to an optimized version that stands out with its exceptional room-temperature ionic conductivity (2.94×10-4 S cm-1) and outstanding toughness (11.9 MJ m-3). Moreover, it demonstrates a broad electrochemical window (4.73 V), remarkable stability across a 600-hour cycle test, a high capacity retention exceeding 80 % after 100 cycles at 0.2 C, and a noteworthy self-healing capability. This quasi-solid polymer electrolyte emerges as a promising contender to replace current liquid electrolyte solutions.

10.
Calcif Tissue Int ; 114(6): 638-649, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38642089

RESUMO

Type 2 diabetes (T2D) increases fracture incidence and fracture-related mortality rates (KK.Cg-Ay/J. The Jackson Laboratory; Available from: https://www.jax.org/strain/002468 ). While numerous mouse models for T2D exist, few effectively stimulate persistent hyperglycemia in both sexes, and even fewer are suitable for bone studies. Commonly used models like db/db and ob/ob have altered leptin pathways, confounding bone-related findings since leptin regulates bone properties (Fajardo et al. in Journal of Bone and Mineral Research 29(5): 1025-1040, 2014). The Yellow Kuo Kondo (KK/Ay) mouse, a polygenic mutation model of T2D, is able to produce a consistent diabetic state in both sexes and addresses the lack of a suitable model of T2D for bone studies. The diabetic state of KK/Ay stems from a mutation in the agouti gene, responsible for coat color in mice. This mutation induces ectopic gene expression across various tissue types, resulting in diabetic mice with yellow fur coats (Moussa and Claycombe in Obesity Research 7(5): 506-514, 1999). Male and female KK/Ay mice exhibited persistent hyperglycemia, defining them as diabetic with blood glucose (BG) levels consistently exceeding 300 mg/dL. Notably, male control mice in this study were also diabetic, presenting a significant limitation. Nevertheless, male and female KK/Ay mice showed significantly elevated BG levels, HbA1c, and serum insulin concentration when compared to the non-diabetic female control mice. Early stages of T2D are characterized by hyperglycemia and hyperinsulinemia resulting from cellular insulin resistance, whereas later stages may feature hypoinsulinemia due to ß-cell apoptosis (Banday et al. Avicenna Journal of Medicine 10(04): 174-188, 2020 and Klein et al. Cell Metabolism 34(1): 11-20, 2022). The observed hyperglycemia, hyperinsulinemia, and the absence of differences in ß-cell mass suggest that KK/Ay mice in this study are modeling the earlier stages of T2D. While compromised bone microarchitecture was observed in this study, older KK/Ay mice, representing more advanced stages of T2D, might exhibit more pronounced skeletal manifestations. Compared to the control group, the femora of KK/Ay mice had higher cortical area and cortical thickness, and improved trabecular properties which would typically be indicative of greater bone strength. However, KK/Ay mice displayed lower cortical tissue mineral density in both sexes and increased cortical porosity in females. Fracture instability toughness of the femora was lower in KK/Ay mice overall compared to controls. These findings indicate that decreased mechanical integrity noted in the femora of KK/Ay mice was likely due to overall bone quality being compromised.


Assuntos
Diabetes Mellitus Tipo 2 , Modelos Animais de Doenças , Mutação , Obesidade , Animais , Diabetes Mellitus Tipo 2/genética , Diabetes Mellitus Tipo 2/metabolismo , Camundongos , Feminino , Masculino , Mutação/genética , Obesidade/genética , Obesidade/metabolismo , Obesidade/complicações , Osso e Ossos/metabolismo , Osso e Ossos/patologia , Camundongos Obesos , Densidade Óssea/genética
11.
Macromol Rapid Commun ; 45(2): e2300467, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-37863475

RESUMO

Conductive polymer hydrogels are vital in strain sensors, yet achieving high resilience and toughness is a challenge. This study employs a prestretch method to engineer a tough conductive polymer hydrogel with sufficient resilience. Initially, a blend film of polyvinylalcohol (PVA) and ethylene-vinyl alcohol copolymer (EVOH) is prepared through solution casting, followed by a swelling process to form a PVA-EVOH hydrogel. This hydrogel, with PVA crystallites as crosslinking points, exhibits high toughness. The hydrogel is then immersed in pyrrole and ferric chloride solutions for in-situ polymerization of polypyrrole (PPy), creating a conductive PPy/PVA-EVOH hydrogel. Finally, a 200% prestretch is applied, breaking short chains within the network, eliminating energy dissipation at low strains. This results in a hydrogel with a 100% elastic deformation range, while maintaining high fracture toughness (1700 J m-2 ). The prestretched PPy/PVA-EVOH hydrogel functions as a strain sensor with low hysteresis, providing consistent strain measurements during loading and unloading. This outperforms the non-prestretched sample, which shows inconsistent responses between stretching and releasing.


Assuntos
Polímeros , Resiliência Psicológica , Hidrogéis , Pirróis , Álcool de Polivinil , Condutividade Elétrica
12.
Macromol Rapid Commun ; 45(11): e2400036, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38453138

RESUMO

Preparation of materials that possess highly strong and tough properties simultaneously is a great challenge. Thermosetting resins as a type of widely used polymeric materials without synergistic strength and toughness limit their applications in some special fields. In this report, an effective strategy to prepare thermosetting resins with synergistic strength and toughness, is presented. In this method, the soft and rigid microspheres with dynamic hemiaminal bonds are fabricated first, followed by hot-pressing to crosslink at the interfaces. Specifically, the rigid or soft microspheres are prepared via precipitation polymerization. After hot-pressing, the resulting rigid-soft blending materials exhibit superior strength and toughness, simultaneously. As compared with the precursor rigid or soft materials, the toughness of the rigid-soft blending films (RSBFs) is improved to 240% and 2100%, respectively, while the strength is comparable to the rigid precursor. As compared with the traditional crushing, blending, and hot-pressing of rigid or soft materials to get the nonuniform materials, the strength and toughness of the RSBFs are improved to 168% and 255%, respectively. This approach holds significant promise for the fabrication of polymer thermosets with a unique combination of strength and toughness.


Assuntos
Polimerização , Resinas Sintéticas/química , Microesferas , Polímeros/química , Temperatura , Teste de Materiais , Propriedades de Superfície , Tamanho da Partícula
13.
Macromol Rapid Commun ; 45(4): e2300557, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-37880914

RESUMO

Eutectogels are gaining attention in flexible device applications for their superior ionic conductivity, stability, biocompatibility, and cost-effectiveness. However, most existing eutectogels suffer from low strength and toughness. Herein, ultra-tough and highly stretchable polyacrylamide (PAM) eutectogels featuring a dual-crosslinked network comprising chemical cross-linking and physical cross-linking facilitated by metal coordination bonds and hydrogen bonds are developed. This is achieved through a controlled strategy involving polymerization of acrylamide in a coordinated metal salt-type deep eutectic solvent (DES) combined with a non-coordinated choline chloride (ChCl)-type DES mixture. By varying the molar ratio of these two types of DES, exceptional and adjustable mechanical properties of the resulting eutectogel are achieved, including a high tensile strength ranging from 2.9 to 8.2 MPa and elongation at break ranging from 1725 to 747%, at a 70 wt% DES content. Furthermore, the reversible non-covalent crosslinking in these eutectogels enables self-recovery and self-healing capabilities of eutectogels. The prepared eutectogels also exhibit outstanding ionic conductivity (3.56 mS cm-1 ), making them well-suited for use as strain sensors in human motion detection. The toughening strategy is universally effective for creating tough eutectogels using coordinated metal salt-type DES with various metal ions, as well as a diverse range of coordinatable polymers.


Assuntos
Acrilamida , Solventes Eutéticos Profundos , Humanos , Colina , Condutividade Elétrica , Ligação de Hidrogênio , Cloreto de Sódio
14.
Macromol Rapid Commun ; : e2400337, 2024 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-39018478

RESUMO

Designing heat-resistant thermosets with excellent comprehensive performance has been a long-standing challenge. Co-curing of various high-performance thermosets is an effective strategy, however, the traditional trial-and-error experiments have long research cycles for discovering new materials. Herein, a two-step machine learning (ML) assisted approach is proposed to design heat-resistant co-cured resins composed of polyimide (PI) and silicon-containing arylacetylene (PSA), that is, poly(silicon-alkyne imide) (PSI). First, two ML prediction models are established to evaluate the processability of PIs and their compatibility with PSA. Then, another two ML models are developed to predict the thermal decomposition temperature and flexural strength of the co-cured PSI resins. The optimal molecular structures and compositions of PSI resins are high-throughput screened. The screened PSI resins are experimentally verified to exhibit enhanced heat resistance, toughness, and processability. The research framework established in this work can be generalized to the rational design of other advanced multi-component polymeric materials.

15.
Oecologia ; 204(3): 641-651, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38472472

RESUMO

In ecosystems, the rates of resource consumption by animals drive the flows of matter and energy. Consumption rates are known to vary according to consumer energy requirements, resource nutrient content and mechanical properties. The aim of our study is to determine how mechanical constraints, compared to energetic and nutritional constraints, explain the variation in leaf litter consumption rates by macrodetritivores. In particular, we focus on the impact of litter toughness. To this end, we propose a non-linear model describing leaf litter consumption rates of detritivore as a function of litter toughness. We also investigate a possible match between bite force and litter toughness, since consumer-resource co-occurrence is thought to be driven by the match between invertebrate mandibular traits and resource toughness. Our study was designed as follows: leaf litter from oak and hornbeam was exposed to field physical and microbial decomposition in aquatic and terrestrial ecosystems for selected time periods before it was offered to eight macrodetritivore taxa (three forest stream taxa and five forest soil taxa) in no-choice laboratory feeding experiments. Our findings show that, compared to energetic and nutritional constraints, mechanical traits have a greater impact on litter consumption rate by detritivores. After subtracting the contribution of the detritivore body mass, we report that litter consumption rates depend primarily on litter toughness. A sigmoid function is best suited to characterize the relationship between mass-independent consumption rate and litter toughness. We note that the parameters of our sigmoid model are taxon-specific, suggesting biomechanical thresholds and biological differences among taxa. Interestingly, we found no correlation with detritivore bite force, suggesting that food processing by detritivores does not only depend on mandibles strength.


Assuntos
Ecossistema , Invertebrados , Animais , Florestas , Rios , Folhas de Planta
16.
Proc Natl Acad Sci U S A ; 118(23)2021 06 08.
Artigo em Inglês | MEDLINE | ID: mdl-34083445

RESUMO

Data-driven approaches promise to usher in a new phase of development in fracture mechanics, but very little is currently known about how data-driven knowledge extraction and transfer can be accomplished in this field. As in many other fields, data scarcity presents a major challenge for knowledge extraction, and knowledge transfer among different fracture problems remains largely unexplored. Here, a data-driven framework for knowledge extraction with rigorous metrics for accuracy assessments is proposed and demonstrated through a nontrivial linear elastic fracture mechanics problem encountered in small-scale toughness measurements. It is shown that a tailored active learning method enables accurate knowledge extraction even in a data-limited regime. The viability of knowledge transfer is demonstrated through mining the hidden connection between the selected three-dimensional benchmark problem and a well-established auxiliary two-dimensional problem. The combination of data-driven knowledge extraction and transfer is expected to have transformative impact in this field over the coming decades.

17.
Int J Mol Sci ; 25(5)2024 Feb 26.
Artigo em Inglês | MEDLINE | ID: mdl-38473922

RESUMO

Load-bearing biological tissues, such as cartilage and muscles, exhibit several crucial properties, including high elasticity, strength, and recoverability. These characteristics enable these tissues to endure significant mechanical stresses and swiftly recover after deformation, contributing to their exceptional durability and functionality. In contrast, while hydrogels are highly biocompatible and hold promise as synthetic biomaterials, their inherent network structure often limits their ability to simultaneously possess a diverse range of superior mechanical properties. As a result, the applications of hydrogels are significantly constrained. This article delves into the design mechanisms and mechanical properties of various tough hydrogels and investigates their applications in tissue engineering, flexible electronics, and other fields. The objective is to provide insights into the fabrication and application of hydrogels with combined high strength, stretchability, toughness, and fast recovery as well as their future development directions and challenges.


Assuntos
Materiais Biocompatíveis , Hidrogéis , Hidrogéis/química , Materiais Biocompatíveis/química , Engenharia Tecidual , Elasticidade , Cartilagem
18.
Molecules ; 29(5)2024 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-38474534

RESUMO

Fe-Cr-C-B wear-resistant steels are widely used as wear-resistant alloys in harsh environments. The M3X (M = Fe, Cr; X = C, B) cementite-type material is a commonly used strengthening phase in these alloys. This study investigated the mechanical properties of cementite (Fe, Cr)3(C, B) using the first-principle density functional theory. We constructed crystal structures of (Fe, Cr)3(C, B) with different concentrations of Cr and B. The bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and hardness of the material were calculated, and a comprehensive mechanical property database based on CALPHAD modeling of the full composition was established. The optimal concentrations of the (Fe, Cr)3(C, B) phase were systematically evaluated across its entire composition range. The material exhibited the highest hardness, shear modulus, and Young's modulus at Cr and B concentrations in the range of 70-95 at% and 40 at%, respectively, rendering it difficult to compress and relatively poor in machinability. When the B content exceeded 90 at%, and the Cr content was zero, the shear modulus and hardness were low, resulting in poor resistance to deformation, reduced stiffness, and ease of plastic processing. This study provides an effective alloying strategy for balancing the brittleness and toughness of (Fe, Cr)3(C, B) phases.

19.
Molecules ; 29(5)2024 Mar 05.
Artigo em Inglês | MEDLINE | ID: mdl-38474677

RESUMO

This study comprehensively investigates Al2O3's mechanical properties, focusing on fracture toughness, surface energy, Young's modulus, and crack propagation. The density functional theory (DFT) is employed to model the vacancies in Al2O3, providing essential insights into this material's structural stability and defect formation. The DFT simulations reveal a deep understanding of vacancy-related properties and their impact on mechanical behavior. In conjunction with molecular dynamics (MD) simulations, the fracture toughness and crack propagation in Al2O3 are explored, offering valuable information on material strength and durability. The surface energy of Al2O3 is also assessed using DFT, shedding light on its interactions with the surrounding environment. The results of this investigation highlight the significant impact of oxygen vacancies on mechanical characteristics such as ultimate strength and fracture toughness, drawing comparisons with the effects observed in the presence of aluminum vacancies. Additionally, the research underscores the validation of fracture toughness outcomes derived from both DFT and MD simulations, which align well with findings from established experimental studies. Additionally, the research underscores the validation of fracture toughness outcomes derived from DFT and MD simulations, aligning well with findings from established experimental studies. The combination of DFT and MD simulations provides a robust framework for a comprehensive understanding of Al2O3's mechanical properties, with implications for material science and engineering applications.

20.
BMC Oral Health ; 24(1): 620, 2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38807109

RESUMO

BACKGROUND: The mechanical properties of fully crystallized lithium aluminosilicate ceramics may be influenced by intraoral temperature variations and postmilling surface treatment. The purpose of this study is to explore the interplay among glazing, thermocycling, and the mechanical characteristics (namely, fracture toughness and hardness) of fully crystallized lithium aluminosilicate ceramics. METHODS: Bending bars (n = 40) cut from LisiCAD blocks (GC, Japan) were randomly assigned to glazed or unglazed groups (n = 20) and subjected to the single edge v-notch beam method to create notches. A glazing firing cycle was applied to the glazed group, while the unglazed group was not subjected to glazing. Half of the specimens (n = 10) from both groups underwent thermocycling before fracture toughness testing. The fracture toughness (KIC) was evaluated at 23 ± 1 °C using a universal testing machine configured for three-point bending, and the crack length was measured via light microscopy. Seven specimens per group were selected for the hardness test. Hardness was assessed using a Vickers microhardness tester with a 1 kg load for 20 s, and each specimen underwent five indentations following ISO 14705:2016. The Shapiro-Wilk and Kolmogorov-Smirnov tests were used to evaluate the normality of the data and a two-way ANOVA was utilized for statistical analysis. The significance level was set at (α = 0.05). RESULTS: Regardless of the thermocycling conditions, the glazed specimens exhibited significantly greater fracture toughness than did their unglazed counterparts (P < 0.001). Thermocycling had no significant impact on the fracture toughness of either the glazed or unglazed specimens. Furthermore, statistical analysis revealed no significant effects on hardness with thermocycling in either group, and glazing alone did not substantially affect hardness. CONCLUSIONS: The impact of glazing on the fracture toughness of LiSiCAD restorations is noteworthy, but it has no significant influence on their hardness. Furthermore, within the parameters of this study, thermocycling was found to exert negligible effects on both fracture toughness and hardness.


Assuntos
Silicatos de Alumínio , Cerâmica , Desenho Assistido por Computador , Dureza , Teste de Materiais , Cerâmica/química , Silicatos de Alumínio/química , Análise do Estresse Dentário , Propriedades de Superfície , Cristalização
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