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We investigate the polarization-induced doping in the gradient variation of Al composition in the p-Al0.75Ga0.25N/Al x Ga1−x N hole injection layer (HIL) for deep ultraviolet light-emitting diodes (DUV-LEDs) with an ultra-thin p-GaN (4 nm) ohmic contact layer capable of emitting 277 nm. The experimental results show that the external quantum efficiency (EQE) and wall plug efficiency (WPE) of the structure graded from 0.75 to 0.55 in the HIL reach 5.49% and 5.04%, which are improved significantly by 182% and 209%, respectively, compared with the structure graded from 0.75 to 0.45, exhibiting a tremendous improvement. Both theoretical speculations and simulation results support that the larger the difference between 0.75 and x in the HIL, the higher the hole concentration that should be induced; thus, the DUV-LED has a higher internal quantum efficiency (IQE). Meanwhile, as the value of x decreases, the absorption of the DUV light emitted from the active region by the HIL is enhanced, reducing the light extraction efficiency (LEE). The IQE and LEE together affect the EQE performance of DUV-LEDs. To trade off the contradiction between the enhanced IQE and decreased LEE caused by the decrease in Al composition, the Al composition in the HIL was optimized through theoretical calculations and experiments.

The velocity of a particle detector in granular flow can be regarded as the combination of rolling and sliding velocities. The study of the contribution of rolling velocity and sliding velocity provides a new explanation to the relative motion between the detector and the local granular flow. In this study, a spherical detector using embedded inertial navigation technology is placed in the chute granular flow to study the movement of the detector relative to the granular flow. It is shown by particle image velocimetry (PIV) that the velocity of chute granular flow conforms to Silbert’s formula. And the velocity of the detector is greater than that of the granular flow around it. By decomposing the velocity into sliding and rolling velocity, it is indicated that the movement of the detector relative to the granular flow is mainly caused by rolling. The rolling detail shown by DEM simulation leads to two potential mechanisms based on the position and drive of the detector.

An N-stage three-waveguide system is proposed to improve the robustness and the fidelity of the resonant tunneling passage. The analytic solutions to the tunneling dynamics at the output are derived. When the number of subsystems increases, tunneling efficiency approaches to 100% in a large range and resonant tunneling is robust against variations in the phase mismatch and peak tunneling rate.

We describe simulations of lubrication by a hexadecane molecular lubricating film during the shearing process of a Cu-Zn alloy performed using the atomistic method. The results indicate that with increasing Zn contents, the interface slip between the alloy wall and the lubricating film first decreases and then increases, according to variations of the radius distribution function (RDF), while the interface slip reaches its lowest value of 0.12 during the shearing of CuZn30 alloy. We also discuss the relationship between interface roughness and the lubricating film. During film lubrication, the interface’s roughness effectively inhibits interfacial slip. For the convex contact model, the presence of the hexadecane lubricating film reduces the interfacial contact pressure from 11.9 GPa to 8.7 GPa and the friction coefficient from 0.81 to 0.52.

Atomistic simulations are carried out to investigate the nano-indentation of single crystal Cu and the sliding of the Cu–Zn alloy. As the contact zone is extended due to adhesive interaction between the contact atoms, the contact area on a nanoscale is redefined. A comparison of contact area and contact force between molecular dynamics (MD) and contact theory based on Greenwood–Williamson (GW) model is made. Lower roughness causes the adhesive interaction to weaken, showing the better consistency between the calculated results by MD and those from the theoretical model. The simulations of the sliding show that the substrate wear decreases with the mol% of Zn increasing, due to the fact that the diffusion movements of Zn atoms in substrate are blocked during the sliding because of the hexagonal close packed (hcp) structure of Zn.

Si/a-C:H(Ag) multilayer films with different modulation periods are prepared to test their potential applications in human body. The composition, microstructure, mechanical and tribological properties in the simulated body fluid are investigated. The results show the concentration of Ag first decreases and then increases with the modulation period decreasing from 984 nm to 250 nm. Whereas the C content has an opposite variation trend. Notably, the concentration of Ag plays a more important role than the modulation period in the properties of the multilayer film. The a-C:H sublayer of the film with an appropriate Ag concentration (8.97 at.%) (modulation period of 512 nm) maintains the highest sp3/sp2 ratio, surface roughness and hardness, and excellent tribological property in the stimulated body fluid. An appropriate number of Ag atoms and size of Ag atom allow the Ag atoms to easily enter into the contact interface for load bearing and lubricating. This work proves that the Ag nanoparticles in the a-C:H sublayer plays a more important role in the tribological properties of the composite-multilayer film in stimulated body fluid condition.

We use the controllability limit theory to study impact of correlation between in- and out-degrees (degree correlation) on edge controllability of real networks. Simulation results and analytic calculations show that the degree correlation plays an important role in the edge controllability of real networks, especially dense real networks. The upper and lower controllability limits hold for all kinds of real networks. Any edge controllability in between the limits is achievable by properly adjusting the degree correlation. In addition, we find that the edge dynamics in some real networks with positive degree correlation may be difficult to control, and explain the rationality of this anomaly based on the controllability limit theory.

A two-dimensional binary driven disk system embedded by impermeable tilted plates is investigated through nonequilibrium computer simulations. It is well known that a binary disk system in which two particle species are driven in opposite directions exhibits jammed, phase separated, disordered, and laning states. The presence of tilted plates can not only advance the formation of laning phase, but also effectively stabilize laning phase by suppressing massively drifting behavior perpendicular to the driving force. The lane width distribution can be controlled easily by the interplate distance. The collective behavior of driven particles in laning phase is guided by the funnel-shaped confinements constituted by the neighboring tilted plates. Our results provide the important clues for investigating the mechanism of laning formation in driven system.

We studied the energetic behaviors of interstitial and substitution carbon (C)/nitrogen (N) impurities as well as their interactions with the vacancy in vanadium by first-principles simulations. Both C and N impurities prefer the octahedral site (O-site). N exhibits a lower formation energy than C. Due to the hybridization between vanadium-d and N/C-p, the N-p states are located at the energy from −6.00 eV to −5.00 eV, which is much deeper than that from −5.00 eV to –3.00 eV for the C-p states. Two impurities in bulk vanadium, C–C, C–N, and N–N can be paired up at the two neighboring O-sites along the 〈111〉 direction and the binding energies of the pairs are 0.227 eV, 0.162 eV, and 0.201 eV, respectively. Further, we find that both C and N do not prefer to stay at the vacancy center and its vicinity, but occupy the O-site off the vacancy in the interstitial lattice in vanadium. The possible physical mechanism is that C/N in the O-site tends to form a carbide/nitride-like structure with its neighboring vanadium atoms, leading to the formation of the strong C/N–vanadium bonding containing a covalent component.