Strain rate and temperature effects on tensile behavior of Ti/Al multilayered nanowire: A molecular dynamics study

Liu, Lanting; Deng, Qiong; Su, Mengjia; An, M.R.; Wang, Ruifeng

doi:10.1016/j.spmi.2019.106272

“…Grain reorientation happened through the new grains nucleated on the surface of Ti layers as the surface had high stress than the interior [4]. This phenomenon is agreed with our previous studies of Ti nanowires [13] and Ti-based multilayers [14]. Meanwhile, the Cu layers still deformed elastically (Fig.…”

Section: Microstructure Evolution Of Ti/cu Multilayered Nanowiressupporting

confidence: 90%

Size dependence for mechanical properties of Ti/Cu multilayered nanowire with a semi-coherent interface

Liu

¹

,

Wang

²

,

Su

³

et al. 2023

J. Phys.: Conf. Ser.

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Metallic multilayered nanowires have a wide application prospect in micro-nano devices because of their superior physical and chemical properties and microstructure designability. Size effects on the tensile behaviors of Ti/Cu multilayered nanowires are investigated by molecular dynamic simulations. Aspect ratios of 1:4, 1:3, 1:2, 1:1, 1:0.75, and 1:0.67 and sectional dimensions of 3, 4, 5, 6, and 7 nm are adopted to construct nanowires with different sizes. Simulation results indicate that the strength of Ti/Cu nanowires decreases with the decrease of aspect ratio in the large aspect ratio range (>1:2) and all simulated sectional dimension ranges, showing a reverse Hall-Petch effect. The Hall-Petch law can only be satisfied in a small aspect ratio range (<1:2). Deformation mechanism transition is found in the critical aspect ratio of 1:2. When the aspect ratio is larger than 1:2, crystalline phases of Ti and Cu layers dominate the plastic deformation of Ti/Cu nanowires. Crystal phases and interface both bear plastic deformation when the aspect ratio is smaller than 1:2. Interface is an important factor in the strength and deformation of Ti/Cu nanowires. The variation of interface fraction and interaction between interface and dislocation motion determine the tendency of strength variation for Ti/Cu nanowires.

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“…[30,31] This classical EAM potential is wildly utilized to predict the mechanical behaviors of metallic multilayers. [24][25][26][27][28]32,33] The locations and velocities of different atoms are calculated by velocity-Verlet algorithmin time steps of 1 fs. Before loading, samples are first slackened for 30 ps to gain the minimum energetic state.…”

Section: Methodsmentioning

confidence: 99%

“…Previous investigations have intuitively sug-gested that layer thickness (λ ) and interface dramatically affect the mechanical properties of the MNWs. [24][25][26][27][28] Yuan and Wu explored the tensile properties of Cu/Ag nanowires with layer thickness changing. For the loading applied perpendicularly to the interface, plastic deformation mechanism varied from interactions between dislocations and interfaces to interfaces rotation with the layer thickness decreasing.…”

Section: Introductionmentioning

confidence: 99%

“…Above the critical strain rate, the amorphization turned into the controlling of the tensile behaviors of the Ti/Al nanowires. [28] As mentioned above, there have been relatively few researches on the mechanical behaviors of multilayered nanowires, but most of them focus only on the single factor (size effect or strain rate effect). However, actual loading process is often carried out under the coupled extrinsic working conditions.…”

Section: Introductionmentioning

confidence: 99%

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Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires*

Su¹,

Deng²,

Liu³

et al. 2021

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Novel properties and applications of multilayered nanowires (MNWs) urge researchers to understand their mechanical behaviors comprehensively. Using the molecular dynamic simulation, tensile behaviors of Ti/Ni MNWs are investigated under a series of layer thickness values (1.31, 2.34, and 7.17 nm) and strain rates ( 1.0 × 10 8 s − 1 ≤ ε . ≤ 5.0 × 10 10 s − 1 ). The results demonstrate that deformation mechanisms of isopachous Ti/Ni MNWs are determined by the layer thickness and strain rate. Four distinct strain rate regions in the tensile process can be discovered, which are small, intermediate, critical, and large strain rate regions. As the strain rate increases, the initial plastic behaviors transform from interface shear (the shortest sample) and grain reorientation (the longest sample) in small strain rate region to amorphization of crystalline structures (all samples) in large strain rate region. Microstructure evolutions reveal that the disparate tensile behaviors are ascribed to the atomic fractions of different structures in small strain rate region, and only related to collapse of crystalline atoms in high strain rate region. A layer thickness-strain rate-dependent mechanism diagram is given to illustrate the couple effect on the plastic deformation mechanisms of the isopachous nanowires. The results also indicate that the modulation ratio significantly affects the tensile properties of unequal Ti/Ni MNWs, but barely affect the plastic deformation mechanisms of the materials. The observations from this work will promote theoretical researches and practical applications of Ti/Ni MNWs.

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“…Computer simulation can provide insight into the atomic mechanisms of deformation, giving a fundamental understanding of strategies for the fabrication of composites with improved properties. Molecular dynamics (MD) simulation has emerged as a suitable tool to investigate different kinds of phenomena in materials, such as plastic deformation and tensile properties [11][12][13], irradiation damages [14], composite fabrication [15 -17], alloying reaction [18,19], to name a few [20 -24].…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics investigation of atomic mixing and mechanical properties of Al / Ti interface

Polyakova

¹

,

Shcherbinin

²

,

Baimova

³

2021

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With the urgent lightweight demand in the aerospace engineering and transportation industries, Al / Ti composite structures have attracted much interest due to their excellent performances compared with conventional materials. Computational simulations have contributed to the understanding of both fundamental and practical aspects of fabrication of such composites and studying of their properties. The present work reports the results of studies based on molecular dynamics simulations on the mechanical properties of an Al / Ti composite obtained by compression combined with shear strain. Tensile properties of a nanosized Ti / Al composite consisting of two single crystals obtained after different compression rates are analyzed. The loading scheme applied in the present work is a simplification of the scenario experimentally realized previously to obtain Al-matrix composites. It is confirmed that uniaxial compression combined with shear deformation is an effective way to obtain the composite structure since severe plastic deformation facilitates the diffusion process. The results indicated that a symmetrical atomic movement took place in the Ti / Al interface during deformation. However, Al atoms diffuse into the Ti block easier than Ti atoms into the Al block. Tensile tests showed that fracture took place in the Al part of the final composite sample, which means that the interlayer region where the mixing of Ti and Al atoms is observed is stronger than the pure Al part.

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Strain rate and temperature effects on tensile behavior of Ti/Al multilayered nanowire: A molecular dynamics study

Cited by 18 publications

References 47 publications

Size dependence for mechanical properties of Ti/Cu multilayered nanowire with a semi-coherent interface

Size dependence for mechanical properties of Ti/Cu multilayered nanowire with a semi-coherent interface

Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires*

Molecular dynamics investigation of atomic mixing and mechanical properties of Al / Ti interface

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