Mechanical properties of nanocrystalline nanoporous gold complicated by variation of grain and ligament: A molecular dynamics simulation

Li, Jiejie; Xian, Yuehui; Zhou, Hongjian; Wu, Runni; Hu, Guoming; Xia, Re

doi:10.1007/s11431-018-9270-9

Cited by 33 publications

(19 citation statements)

References 46 publications

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“…Several types of the polymeric phase were considered as a filler, which was modelled as an elastic and elastoplastic material. The physical and mechanical properties of the phases were obtained from experimental works [17,42,43], and they were also confirmed by some numerical studies based on molecular dynamics methods [33,44,45]. The properties of the constituents for the gold-polymer nanocomposites are presented in Table 1 and Figure 5.…”

Section: Materials Modelsmentioning

confidence: 53%

Numerical Analysis of the Mechanical Response of Two-Phase Nanocomposites Consisting of Nanoporous Gold and Polymer

Shalimov

Tashkinov

2022

Materials

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In this work, representative volume elements (RVEs) of composites, consisting of nanoporous gold and polymer, were investigated. Gold is of great interest as a special case of nanoporous metals as it deforms to large plastic strains when compressed, whereas normally nanomaterials allow only small deformations. The nanocomposite is modeled as a nanoporous monocrystal filled with a polymer. Different models of the phase behavior of nanoporous metal composites with the addition of a polymer component were studied. Three models of the mechanical behavior of gold were implemented: elasticity, elastic-plasticity, and the model of fracture with the degradation of properties. Three types of polymers were considered: polypyrrole (PPy), epoxy resin, and polyaniline (PANI), for which elasticity and elastic-plasticity models were implemented. The effect of the morphology of the nanocomposite on their mechanical response was numerically investigated using finite element analysis.

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Section: Materials Modelsmentioning

confidence: 53%

Numerical Analysis of the Mechanical Response of Two-Phase Nanocomposites Consisting of Nanoporous Gold and Polymer

Shalimov

Tashkinov

2022

Materials

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“…The grains rotate and slide with each other when the shear stress is over the bonding force among the grains. [ 39,40 ]…”

Section: Resultsmentioning

confidence: 99%

“…The mechanical parameters have been defined in our previous studies. [ 39 ] In contrast, it can be seen that the sample shows elastic deformation before the maximum stress and plastic deformation after the maximum stress, combined with the atomic diagram. Hence, the yield strength is defined as the peak stress in this study.…”

Section: Resultsmentioning

confidence: 99%

“…The grains rotate and slide with each other when the shear stress is over the bonding force among the grains. [39,40] Here, we extract mechanical features including Young's modulus E, yield strength σ s , and flow stress σ f from the stress-strain curves. The mechanical parameters have been defined in our previous studies.…”

Section: Tensile Responses Of W-mo Alloysmentioning

confidence: 99%

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Tensile and Compressive Mechanical Properties of Polycrystalline Tungsten–Molybdenum Alloy

Zhang

et al. 2022

Physica Status Solidi (a)

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To clarify the mechanical performance of word line metal film, molecular dynamics simulations to explore the tensile and compressive responses of W–Mo alloys are utilized. The results reveal that all the mechanical parameters, including Young's modulus, yield strength, flow stress, and platform stress, decrease linearly by about 13–20% with the increase in Mo concentration. The development of the amorphous region and grain boundaries (GBs) dominates the deformation process of W–Mo alloys under tensile and compressive loadings. A large number of body‐centered cubic atoms transforms into amorphous atoms during the loading process. The average shear strain is independent of Mo concentration, and the value of the W50Mo50 sample under tension and compression rises to 1.11 and 1.98, respectively, as the strain increases from 0 to 0.6. In addition, the temperature sensitivity of mechanical features is independent of the concentration of Mo. The results may provide guidance and reference for the industrial application of W–Mo metal films in semiconductor manufacturing.

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“…In the present study, f (u) = (u 2 À 1) 2 /4 and y = 0.1 are employed following the literature. [43][44][45] To solve eqn (1), we utilize the finite difference method proposed by Sun et al 43,46 Readers can refer to our previous work for detailed information on the preparation of vitreous Cu 50 Zr 50 alloy and bicontinuous nanoporous structures. 24,[47][48][49] The initial cold welding system is illustrated in Fig.…”

Section: Methodsmentioning

confidence: 99%

Molecular dynamics simulations of cold welding of nanoporous amorphous alloys: effects of welding conditions and microstructures

Zhang,

Su,

et al. 2022

Phys. Chem. Chem. Phys.

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Mechanical properties of nanocrystalline nanoporous gold complicated by variation of grain and ligament: A molecular dynamics simulation

Cited by 33 publications

References 46 publications

Numerical Analysis of the Mechanical Response of Two-Phase Nanocomposites Consisting of Nanoporous Gold and Polymer

Numerical Analysis of the Mechanical Response of Two-Phase Nanocomposites Consisting of Nanoporous Gold and Polymer

Tensile and Compressive Mechanical Properties of Polycrystalline Tungsten–Molybdenum Alloy

Molecular dynamics simulations of cold welding of nanoporous amorphous alloys: effects of welding conditions and microstructures

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