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Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene.

ABSTRACT: The thermal conductivity of two-dimensional materials, such as graphene, typically decreases when tensile strain is applied, which softens their phonon modes. Here, we report an anomalous strain effect on the thermal conductivity of monolayer silicene, a representative low-buckled two-dimensional (LB-2D) material. ReaxFF-based molecular dynamics simulations are performed to show that biaxially stretched monolayer silicene exhibits a remarkable increase in thermal conductivity, by as much as 10 times the freestanding value, with increasing applied strain in the range of [0, 0.1], which is attributed to increased contributions from long-wavelength phonons. A further increase in strain in the range of [0.11, 0.18] results in a plateau of the thermal conductivity in an oscillatory manner, governed by a unique dynamic bonding behavior under extreme loading. This anomalous effect reveals new physical insights into the thermal properties of LB-2D materials and may provide some guidelines for designing heat management and energy conversion devices based on such materials.

SUBMITTER: Ding B

PROVIDER: S-EPMC8433080 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature

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Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene.

Ding Bin B Li Xiaoyan X Zhou Wuxing W Zhang Gang G Gao Huajian H

National science review 20200831 9

The thermal conductivity of two-dimensional materials, such as graphene, typically decreases when tensile strain is applied, which softens their phonon modes. Here, we report an anomalous strain effect on the thermal conductivity of monolayer silicene, a representative low-buckled two-dimensional (LB-2D) material. ReaxFF-based molecular dynamics simulations are performed to show that biaxially stretched monolayer silicene exhibits a remarkable increase in thermal conductivity, by as much as 10 t ...[more]

PMID: 34691724

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Project description:Developing stable nanofluids and improving their thermo-physical properties are highly important in heat transfer applications. In the present work, the stability, thermal conductivity, and rheological properties of tungsten disulphide (WS2) nanoparticles (NPs) with ethylene glycol (EG) were profoundly examined using a particle size analyzer, zeta-sizer, thermal property analyzer, rheometer, and pH measuring system. WS2 NPs were characterized by various techniques, such as XRD (X-Ray Diffraction), FTIR (Fourier Transform Infrared Spectroscopy), FESEM (Field emission scanning electron microscopy), and high-resolution transmission electron microscopy (HRTEM). The nanofluids were obtained with the two-step method by employing three volume concentrations (0.005%, 0.01%, and 0.02%) of WS2. The influence of different surfactants (Sodium dodecyl sulphate (SDS), Sodium dodecylbenzenesulfonate (SDBS), Cetyltrimethylammonium bromide (CTAB)) with various volume concentrations (0.05-2%) on the measured properties has also been evaluated. Pristine WS2/EG nanofluids exhibit low zeta potential values, i.e., -7.9 mV, -9.3 mV, and -5 mV, corresponding to 0.005%, 0.01%, and 0.02% nanofluid, respectively. However, the zeta potential surpassed the threshold (±30 mV) and the maximum values reached of -52 mV, -45 mV, and 42 mV for SDS, SDBS, and CTAB-containing nanofluids. This showed the successful adsorption of surfactants onto WS2, which was also observed through the increased agglomerate size of up to 1720 nm. Concurrently, particularly for 0.05% SDS with 0.005% WS2, thermal conductivity was enhanced by up to 4.5%, with a corresponding decrease in viscosity of up to 10.5% in a temperature range of (25-70 °C), as compared to EG. Conversely, the viscoelastic analysis has indicated considerable yield stress due to the presence of surfactants, while the pristine nanofluids exhibited enhanced fluidity over the entire tested deformation range. The shear flow behavior showed a transition from a non-Newtonian to a Newtonian fluid at a low shear rate of 10 s-1. Besides this, the temperature sweep analysis has shown a viscosity reduction in a range of temperatures (25-70 °C), with an indication of a critical temperature limit. However, owing to an anomalous reduction in the dynamic viscosity of up to 10.5% and an enhancement in the thermal conductivity of up to 6.9%, WS2/EG nanofluids could be considered as a potential candidate for heat transfer applications.

Dataset Information

Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene.

Publications

Anomalous strain effect on the thermal conductivity of low-buckled two-dimensional silicene.

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