Uncertainty quantification and prediction for mechanical properties of graphene aerogels via gaussian process metamodels

Nano Futures ◽  
2021 ◽  
Author(s):  
Bowen Zheng ◽  
Zeyu Zheng ◽  
Grace Gu

Abstract Graphene aerogels, a special class of 3D graphene assemblies, are well known for their exceptional combination of high strength, lightweightness, and high porosity. However, due to microstructural randomness, the mechanical properties of graphene aerogels are also highly stochastic, an issue that has been observed but insufficiently addressed. In this work, we develop Gaussian process metamodels to not only predict important mechanical properties of graphene aerogels but also quantify their uncertainties. Using the molecular dynamics simulation technique, graphene aerogels are assembled from randomly distributed graphene flakes and spherical inclusions, and are subsequently subject to a quasi-static uniaxial tensile load to deduce mechanical properties. Results show that given the same density, mechanical properties such as the Young’s modulus and the ultimate tensile strength can vary substantially. Treating density, Young’s modulus, and ultimate tensile strength as functions of the inclusion size, and using the simulated graphene aerogel results as training data, we build Gaussian process metamodels that can efficiently predict the properties of unseen graphene aerogels. In addition, statistically valid confidence intervals centered around the predictions are established. This metamodel approach is particularly beneficial when the data acquisition requires expensive experiments or computation, which is the case for graphene aerogel simulations. The present research quantifies the uncertain mechanical properties of graphene aerogels, which may shed light on the statistical analysis of novel nanomaterials of a broad variety.

2018 ◽  
Vol 917 ◽  
pp. 52-56
Author(s):  
Jirapornchai Suksaeree

Recently, Thai herbs are widely used as medicine to treat some illnesses. Zingiber cassumunar Roxb., known by the Thai name “Plai”, is a popular anti-inflammatory, antispasmodic herbal body and muscle treatment. This research aimed to prepare herbal patches that incorporated the 3 g of crude Z. cassumunar oil. The herbal patches made from different polymer blends were 2 g of 3.5%w/v chitosan and 5 g of 20%w/v hydroxypropyl methylcellulose (HPMC), or 2 g of 3.5%w/v chitosan and 5 g of 20%w/v polyvinyl alcohol (PVA) using 2 g of glycerin as a plasticizer. They were prepared by mixing all ingredients in a beaker and produced by solvent casting method in hot air oven at 70±2oC. The completed herbal patches were evaluated for their mechanical properties including Young’s modulus, ultimate tensile strength, elongation at break, T-peel strength, and tack adhesion. The thickness of blank and herbal patches was 0.263-0.282 mm and 0.269-0.275 mm, respectively. Young’s modulus, ultimate tensile strength, elongation at break, T-peel strength, and tack adhesion were 104.73-142.71 MPa, 87.92-93.28 MPa, 154.39-174.98 %, 3.43-4.88 MPa, and 5.29-7.02 MPa, respectively, for blank patches, and 116.83-147.28 MPa, 89.49-100.47 MPa, 133.78-159.27 %, 2.01-3.98 MPa, and 4.03-5.19 MPa, respectively, for herbal patches. We prepared herbal blended patches made from chitosan/PVA or chitosan/HPMC polymer matrix blends incorporating the crude Z. cassumunar oil. They had good mechanical properties that might be developed for herbal medicinal application.


1981 ◽  
Vol 12 ◽  
Author(s):  
J. Bevk ◽  
W. A. Sunder ◽  
G. Dublon ◽  
David E. Cohen

ABSTRACTElastic and plastic properties of in situ Cu-based composites with Nb, V, and Fe filaments are reviewed. The evidence is presented for a pronounced size dependence of both the ultimate tensile strength and the Young's moduli. In composites with the smallest filaments (d∼50–200Å) and filament densities as high as 1010/cm2 dislocation density reaches values of 1013 cm/cm3. The yield stress of these samples increases dramatically over the predictions based on the “rule of mixtures” and their ultimate tensile strength approaches the estimated theoretical strength of the material (∼2.7GPa). The observed decrease of Young's modulus as a function of inverse wire diameter in the as-drawn composites is attributed to lattice softening due to high density of extended lattice defects. Upon annealing, Young's modulus increases by as much as 100% and exceeds the maximum values calculated from bulk elastic constants. Possible mechanisms leading to modulus enhancement and to related changes in magnetic and superconducting behavior of in situ composites are discussed.


Author(s):  
Mousa Younesi ◽  
Mohammad Ebrahim Bahrololoom ◽  
Hamidreza Fooladfar

This paper focuses on the effects of pressure and temperature in hot press molding on the mechanical properties of polypropylene-hydroxyapatite composites with two different types of silanated and unsilanated hydroxyapatite. Density, crystallinity, ultimate tensile strength, Young’s modulus and impact resistance were evaluated for the two types of composites. Increasing pressure caused enhancement of density, crystallinity, MFI, ultimate tensile strength and Young’s modulus. Increases in temperature increased MFI, ultimate tensile strength and Young’s modulus whilst decreased impact resistance of composites. Effects of increasing pressure and temperature on the mechanical properties of polypropylene-silanated hydroxyapatite were less than their effects on the mechanical properties of polypropylene-unsilanated hydroxyapatite. Micrographs showed changes in fracture mode from ductile to brittle with increasing pressure and temperature during hot press molding.


2019 ◽  
Vol 804 ◽  
pp. 1-6
Author(s):  
Jia Qi Zhu ◽  
Qing Sheng Yang ◽  
Xia Liu

Graphene-aluminum (Gr/Al) composite laminated by aluminum (Al) and graphene sheets alternately has excellent mechanical properties thanks to the high strength, high Young’s modulus and the two-dimensional atomic structure of graphene. In this study, the uniaxial tensile properties of Gr/Al nano-laminated composite are studied by molecular dynamics (MD) method. It is found that the thickness of Al layer has a significant effect on the tensile strength and Yang’s modulus of the Gr/Al composite. Composite with a smaller thickness of Al layer shows better properties. Graphene not only block propagation of dislocations, but bear most of the loads, resulting in higher Young's modulus, tensile strength and failure strain of the composites than those of pure Al. The simulation of temperature-effect shows that the Gr/Al composite is difficult to arise plastic deformation at low temperature, which lead to a higher strength and modulus of the composite. In addition, the effect of graphene stacking on the properties of composites is investigated. Through tensile tests at the vertical and parallel interfaces, it is found that graphene stacking may lead to a reduced performance of the composite.


2012 ◽  
Vol 3 (1) ◽  
pp. 13-26
Author(s):  
Myrtha Karina ◽  
Lucia Indrarti ◽  
Rike Yudianti ◽  
Indriyati

The effect of castor oil on the physical and mechanical properties of bacterial cellulose is described. Bacterial cellulose (BC) was impregnated with 0.5–2% (w/v) castor oil (CO) in acetone–water, providing BCCO films. Scanning electron micrographs revealed that the castor oil penetrated the pores of the bacterial cellulose, resulting in a smoother morphology and enhanced hydrophilicity. Castor oil caused a slight change in crystallinity indices and resulted in reduced tensile strength and Young's modulus but increased elongation at break. A significant reduction in tensile strength and Young's modulus was achieved in BCCO films with 2% castor oil, and there was an improvement in elongation at break and hydrophilicity. Impregnation with castor oil, a biodegradable and safe plasticiser, resulted in less rigid and more ductile composites.


Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 3127
Author(s):  
Feng Dai ◽  
Dandan Zhao ◽  
Lin Zhang

The effect of vacancy defects on the structure and mechanical properties of semiconductor silicon materials is of great significance to the development of novel microelectronic materials and the processes of semiconductor sensors. In this paper, molecular dynamics is used to simulate the atomic packing structure, local stress evolution and mechanical properties of a perfect lattice and silicon crystal with a single vacancy defect on heating. In addition, their influences on the change in Young’s modulus are also analyzed. The atomic simulations show that in the lower temperature range, the existence of vacancy defects reduces the Young’s modulus of the silicon lattice. With the increase in temperature, the local stress distribution of the atoms in the lattice changes due to the migration of the vacancy. At high temperatures, the Young’s modulus of the silicon lattice changes in anisotropic patterns. For the lattice with the vacancy, when the temperature is higher than 1500 K, the number and degree of distortion in the lattice increase significantly, the obvious single vacancy and its adjacent atoms contracting inward structure disappears and the defects in the lattice present complex patterns. By applying uniaxial tensile force, it can be found that the temperature has a significant effect on the elasticity–plasticity behaviors of the Si lattice with the vacancy.


Metals ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 790 ◽  
Author(s):  
Changping Tang ◽  
Kai Wu ◽  
Wenhui Liu ◽  
Di Feng ◽  
Xuezhao Wang ◽  
...  

The effects of Gd, Y content on the microstructure and mechanical properties of Mg-Gd-Y-Nd-Zr alloy were investigated using hardness measurements, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), and uniaxial tensile testing. The results indicate that the alloys in as-cast condition mainly consist of α-Mg matrix and non-equilibrium eutectic Mg5.05RE (RE = Gd, Y, Nd). After solution treatment, the non-equilibrium eutectics dissolved into the matrix but some block shaped RE-rich particles were left at the grain boundaries and within grains. These particles are especially Y-rich and deteriorate the mechanical properties of the alloys. Both the compositions of the eutectic and the block shaped particle were independent of the total Gd, Y content of the alloys, but the number of the particles increases as the total Gd, Y content increases. The ultimate tensile strength increases as the total Gd, Y content decreases. A Mg-5.56Gd-3.38Y-1.11Nd-0.48Zr alloy with the highest ultimate tensile strength of 280 MPa and an elongation of 1.3% was fabricated. The high strength is attributed to the age hardening behavior and the decrease in block shaped particles.


2021 ◽  
Author(s):  
Yanhong Jin ◽  
Yuanyuan Jing ◽  
Wenxin Hu ◽  
Jiaxian Lin ◽  
Yu Cheng ◽  
...  

Abstract Lignin has been used as a sustainable and eco-friendly filler in composite fibers. However, lignin aggregation occurred at high lignin content, which significantly hindered the further enhancement of fiber performance. The incorporation of graphene oxide (GO) enhanced the mechanical properties of the lignin/poly(vinyl alcohol) (PVA) fibers and affected their structure. With the GO content increasing from 0 to 0.2%, the tensile strength of 5% lignin/PVA fibers increased from 491 MPa to 631 MPa, and Young's modulus increased from 5.91 GPa to 6.61 GPa. GO reinforced 30% lignin/PVA fibers also showed the same trend. The tensile strength increased from 455 MPa to 553 MPa, and Young's modulus increased from 5.39 GPa to 7 GPa. The best mechanical performance was observed in PVA fibers containing 5% lignin and 0.2% GO, which had an average tensile strength of 631 MPa and a Young’s modulus of 6.61 GPa. The toughness values of these fibers are between 9.9-15.6 J/g, and the fibrillar and ductile fracture microstructure were observed. Structure analysis of fibers showed that GO reinforced 5% lignin/PVA fibers had higher crystallinity, and evidence of hydrogen bonding among GO, lignin, and PVA in the gel fibers was revealed. Further, water resistance and swelling behavior of composite PVA fibers were studied to further evidence the structure change of composite fibers.


2020 ◽  
Author(s):  
Jackie E. Kendrick ◽  
Lauren N. Schaefer ◽  
Jenny Schauroth ◽  
Andrew F. Bell ◽  
Oliver D. Lamb ◽  
...  

Abstract. Volcanoes represent one of the most critical geological settings for hazard modelling due to their propensity to both unpredictably erupt and collapse, even in times of quiescence. Volcanoes are heterogeneous at multiple scales, from porosity which is variably distributed and frequently anisotropic to strata that are laterally discontinuous and commonly pierced by fractures and faults. Due to variable and, at times, intense stress and strain conditions during and post-emplacement, volcanic rocks span an exceptionally wide range of physical and mechanical properties. Understanding the constituent materials' attributes is key to improving the interpretation of hazards posed by the diverse array of volcanic complexes. Here, we examine the spectrum of physical and mechanical properties presented by a single dome-forming eruption at a dacitic volcano, Mount Unzen (Japan) by testing a number of isotropic and anisotropic lavas in tension and compression and using monitored acoustic emission (AE) analysis. The lava dome was erupted as a series of 13 lobes between 1991–1995, and its ongoing instability means much of the volcano and its surroundings remain within an exclusion zone today. During a field campaign in 2015, we selected 4 representative blocks as the focus of this study. The core samples from each block span range in porosity from 9.14 to 42.81 %, and permeability ranges from 1.54 × 10−14 to 2.67 × 10−10 m2 (from 1065 measurements). For a given porosity, sample permeability varies by > 2 orders of magnitude is lower for macroscopically anisotropic samples than isotropic samples of similar porosity. An additional 379 permeability measurements on planar block surfaces ranged from 1.90 × 10−15 to 2.58 × 10−12 m2, with a single block having higher standard deviation and coefficient of variation than a single core. Permeability under confined conditions showed that the lowest permeability samples, whose porosity largely comprises microfractures, are most sensitive to effective pressure. The permeability measurements highlight the importance of both scale and confinement conditions in the description of permeability. The uniaxial compressive strength (UCS) ranges from 13.48 to 47.80 MPa, and tensile strength (UTS) using the Brazilian disc method ranges from 1.30 to 3.70 MPa, with crack-dominated lavas being weaker than vesicle-dominated materials of equivalent porosity. UCS is lower in saturated conditions, whilst the impact of saturation on UTS is variable. UCS is between 6.8 and 17.3 times higher than UTS, with anisotropic samples forming each end member. The Young's modulus of dry samples ranges from 4.49 to 21.59 GPa and is systematically reduced in water-saturated tests. The interrelation of porosity, UCS, UTS and Young's modulus was modelled with good replication of the data. Acceleration of monitored acoustic emission (AE) rates during deformation was assessed by fitting Poisson point process models in a Bayesian framework. An exponential acceleration model closely replicated the tensile strength tests, whilst compressive tests tended to have relatively high early rates of AEs, suggesting failure forecast may be more accurate in tensile regimes, though with shorter warning times. The Gutenberg-Richter b-value has a negative correlation with connected porosity for both UCS and UTS tests which we attribute to different stress intensities caused by differing pore networks. b-value is higher for UTS than UCS, and typically decreases (positive Δb) during tests, with the exception of cataclastic samples in compression. Δb correlates positively with connected porosity in compression, and negatively in tension. Δb using a fixed sampling length may be a more useful metric for monitoring changes in activity at volcanoes than b-value with an arbitrary starting point. Using coda wave interferometry (CWI) we identify velocity reductions during mechanical testing in compression and tension, the magnitude of which is greater in more porous samples in UTS but independent of porosity in UCS, and which scales to both b-value and Δb. Yet, saturation obscures velocity changes caused by evolving material properties, which could mask damage accrual or source migration in water-rich environments such as volcanoes. The results of this study highlight that heterogeneity and anisotropy within a single system not only add uncertainty but also have a defining role in the channelling of fluid flow and localisation of strain that dictate a volcano's hazards and the geophysical indicators we use to interpret them.


2021 ◽  
Vol 32 (2) ◽  
pp. 87-104
Author(s):  
Pui-Voon Yap ◽  
Ming-Yeng Chan ◽  
Seong-Chun Koay

This research work highlights the mechanical properties of multi-material by fused deposition modelling (FDM). The specimens for tensile and flexural test have been printed using polycarbonate (PC) material at different combinations of printing parameters. The effects of varied printing speed, infill density and nozzle diameter on the mechanical properties of specimens have been investigated. Multi-material specimens were fabricated with acrylonitrile butadiene styrene (ABS) as the base material and PC as the reinforced material at the optimum printing parameter combination. The specimens were then subjected to mechanical testing to observe their tensile strength, Young’s modulus, percentage elongation, flexural strength and flexural modulus. The outcome of replacing half of ABS with PC to create a multi-material part has been examined. As demonstrated by the results, the optimum combination of printing parameters is 60 mm/s printing speed, 15% infill density and 0.8 mm nozzle diameter. The combination of ABS and PC materials as reinforcing material has improved the tensile strength (by 38.46%), Young’s modulus (by 23.40%), flexural strength (by 23.90%) and flexural modulus (by 37.33%) while reducing the ductility by 14.31% as compared to pure ABS. The results have been supported by data and graphs of the analysed specimens.


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