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Ning Wei

Publications and source records attributed to Ning Wei.

64 records · Page 4Linked to original sources
arXiv2016

Mechanical behavior of composite double wall nanotubes from carbon and phosphorous

Black phosphorus is not stable when it is exposed to air. When covered or terminated by single layer carbon atoms, such as graphene carbon nanotube, it is more strongly protected in the rapid degradation than the bare black phosphorus. Moreover, due to weak interaction between phosphorus atoms in black phosphorene, the nanotube obtained by curling single layer black phosphorus is not as stable as a carbon nanotube at finite temperature. In present work, we recommend a new 1D material, i.e., composite double wall nanotubes from a black phosphorus nanotube with a CNT. The dynamic response of the composite DWNTs is simulated using molecular dynamics approach. The effects of such factors as temperature, slenderness and configurations of DWNTs are discussed. Comparing with a single wall BPNT, the composite DWNTs under uniaxial compression shows some peculiar properties. When the BPNT is embedded in a CNT, the system will not collapse rapidly even if the BPNT has been damaged seriously.

cond-mat.mtrl-sci↗
arXiv2016

Superhigh moduli and tension-induced phase transition of monolayer gamma-boron at finite temperatures

Two dimensional (2D) gamma-boron (γ-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study [Tai et al., Angew. Chem. Int. Ed. 54, 1-6 (2015)]. However, their mechanical properties are still not clear. Here we predict the superhigh moduli (1460 GPa at 1 K and 744 GPa at 300 K) and the tension-induced phase transition of monolayer γ-B28 along a zigzag direction for large deformations at finite temperatures using molecular dynamics (MD) simulations. The new phase can be kept stable after unloading process at these temperatures. The predicted mechanical properties are reasonable with our results from density functional theory. This study provides physical insights into the origins of the new phase transition of monolayer γ-B28 at finite temperatures.

cond-mat.mtrl-sci↗
arXiv2015

Thermal stability of a free nanotube from single-layer black phosphorus

Similar to the carbon nanotube fabricated from graphene sheet, a black phosphorus nanotube (BPNT) also can theoretically be produced by curling the rectangular single-layer black phosphorus (SLBP). In present study, the effect of thermal vibration of atoms on the failure of a BPNT is investigated using molecular dynamics simulations. Two types of double-shell BPNTs, which are obtained by curling the rectangular SLBP along its armchair/pucker direction and zigzag direction (in-plane normal) respectively, are involved in simulation. At finite temperature, a bond on the outer shell of tube is under tension due to both of curvature of tube and serious thermal vibration of atoms. As the length of a bond with such elongation approaches its critical value, i.e., 0.279 nm, or the smallest distance between two nonbonding phosphorus atoms is over 0.389nm caused by great variation of bond angle, the tube fails quickly. The critical stable states of either an armchair or a zigzag BPNT at finite temperature are calculated and compared. To achieve a stable BPNT with high robustness, the curvature of the tube should be reduced or the tube should work at a lower temperature. Only when the BPNT has structural stability, it has a potential application as a nanowire in a future nano electro-mechanical system (NEMS).

physics.comp-ph↗
arXiv2015

Thermal conductivity of graphene kirigami: ultralow and strain robustness

Kirigami structure, from the macro- to the nanoscale, exhibits distinct and tunable properties from original 2-dimensional sheet by tailoring. In present work, the extreme reduction of the thermal conductivity by tailoring sizes in graphene nanoribbon kirigami (GNR-k) is demonstrated using nonequilibrium molecular dynamics simulations. The results show that the thermal conductivity of GNR-k (around 5.1 Wm-1K-1) is about two orders of magnitude lower than that of the pristine graphene nanoribbon (GNR) (around 151.6 Wm-1K-1), while the minimum value is expected to be approaching zero in extreme case from our theoretical model. To explore the origin of the reduction of the thermal conductivity, the micro-heat flux on each atoms of GNR-k has been further studied. The results attribute the reduction of the thermal conductivity to three main sources as: the elongation of real heat flux path, the overestimation of real heat flux area and the phonon scattering at the vacancy of the edge. Moreover, the strain engineering effect on the thermal conductivity of GNR-k and a thermal robustness property has been investigated. Our results provide physical insights into the origins of the ultralow and robust thermal conductivity of GNR-k, which also suggests that the GNR-k can be used for nanaoscale heat management and thermoelectric application.

cond-mat.mtrl-sci↗
arXiv2015

Optimal Relay Probing in Millimeter Wave Cellular Systems with Device-to-Device Relaying

Millimeter-wave (mmWave) cellular systems are power-limited and susceptible to blockages. As a result, mmWave connectivity will be likely to be intermittent. One promising approach to increasing mmWave connectivity and range is to use relays. Device-to-device (D2D) communications open the door to the vast opportunities of D2D and device-to-network relaying for mmWave cellular systems. In this correspondence, we study how to select a good relay for a given source-destination pair in a two-hop mmWave cellular system, where the mmWave links are subject to random Bernoulli blockages. In such a system, probing more relays could potentially lead to the discovery of a better relay but at the cost of more overhead. We find that the throughput-optimal relay probing strategy is a pure threshold policy: the system can stop relay probing once the achievable spectral efficiency of the currently probed two-hop link exceeds some threshold. In general, the spectral efficiency threshold can be obtained by solving a fixed point equation. For the special case with on/off mmWave links, we derive a closed-form solution for the threshold. Numerical results demonstrate that the threshold-based relay probing strategy can yield remarkable throughput gains.

cs.IT↗
arXiv2014

Mechanotunable monatomic metal structures at graphene edges

Monatomic metal (e.g. silver) structures could form preferably at graphene edges. We explore their structural and electronic properties by performing density functional theory based first-principles calculations. The results show that cohesion between metal atoms, as well as electronic coupling between metal atoms and graphene edges offer remarkable structural stability of the hybrid. We find that the outstanding mechanical properties of graphene allow tunable properties of the metal monatomic structures by straining the structure. The concept is extended to metal rings and helices that form at open ends of carbon nanotubes and edges of twisted graphene ribbons. These findings demostrate the role of graphene edges as an efficient one-dimensional template for low-dimensional metal structures that are mechanotunable.

cond-mat.mes-hall↗
arXiv2014

Understanding water permeation in graphene oxide membranes

Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using atomistic simulations, by considering flow through interlayer gallery, expanded pores such as wrinkles of interedge spaces, and pores within the sheet. We find that although flow enhancement can be established by nanoconfinement, fast water transport through pristine graphene channels is prohibited by a prominent side-pinning effect from capillaries formed between oxidized regions. We then discuss flow enhancement in situations according to several recent experiments. These understandings are finally integrated into a complete picture to understand water permeation through the layer-by-layer and porous microstructure and could guide rational design of functional membranes for energy and environmental applications.

cond-mat.mes-hall↗
arXiv2013

Breakdown of Fast Water Transport in Graphene Oxides

Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization and relaxation of the nanoconfinement in graphene oxides. Molecular dynamics simulation results show that hydrodynamics applies in this circumstance, even at length scales down to nanometers. However, corrections on the slip boundary condition and viscosity of nanoconfined flow must be included to make quantitative predictions. These results were discussed with structural characteristics of the liquid water and hydrogen bond networks.

cond-mat.mes-hall↗
arXiv2012

A molecular dynamics investigation of the mechanical properties of graphene nanochain

In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking the obtained nanorings. The obtained tensile strength of defect-free nanochain is a little lower than that of pristine GNRs and the fracture point is earlier than that of the GNRs. The effects of length, width and twist angle of the constituent GNRs on the mechanical performance are analyzed. Furthermore, defect effect is investigated and in some high defect coverage cases, an interesting mechanical strengthening-like behavior is observed. This structure supports the concept of long-cable manufacturing and advanced material design can be achieved by integration of nanochain with other nanocomposites. The technology used to construct the nanochain is experimentally feasible, inspired by the recent demonstrations of atomically precise fabrications of GNRs with complex structures [Phys. Rev. Lett,2009,\textbf{102},205501; Nano Lett., 2010, \textbf{10},4328; Nature,2010,\textbf{466},470]

cond-mat.mtrl-sci↗