Wang Li-Min

Efficient parallel implementation of the lattice Boltzmann method on large clusters of graphic processing units

Many-core processors, such as graphic processing units (GPUs), are promising platforms for intrinsic parallel algorithms such as the lattice Boltzmann method (LBM). Although tremendous speedup has been obtained on a single GPU compared with mainstream CPUs, the performance of the LBM for multiple GPUs has not been studied extensively and systematically. In this article, we carry out LBM simulation on a GPU cluster with many nodes, each having multiple Fermi GPUs. Asynchronous execution with CUDA stream functions, OpenMP and non-blocking MPI communication are incorporated to improve efficiency. The algorithm is tested for two-dimensional Couette flow and the results are in good agreement with the analytical solution. For both the one- and two-dimensional decomposition of space, the algorithm performs well as most of the communication time is hidden. Direct numerical simulation of a two-dimensional gas-solid suspension containing more than one million solid particles and one billion gas lattice cells demonstrates the potential of this algorithm in large-scale engineering applications. The algorithm can be directly extended to the three-dimensional decomposition of space and other modeling methods including explicit grid-based methods.

Compression behaviour and equation of state of Zr44.4Nb7Cu13.5Ni10.8Be24.3 bulk metallic glass up to 39 GPa

The compression of Zr44.4Nb7Cu13.5Ni10.8Be24.3 bulk metallic glass (BMG) is investigated at room temperature up to 39 GPa using {in situ} high-pressure energy dispersive x-ray diffraction with a synchrotron radiation source. The equation of state of the BMG is obtained by the calculation of the radial distribution function. Pressure-induced structural relaxation is exhibited. It is found that below about 6 GPa, the existence of excess free volume contributes to the rapid structural relaxation, which gives rise to rapid volumetric change, and the structural relaxation results in structural stiffness under higher pressure.

Pseudo-particle modeling for gas flow in microchannels

The velocity profiles and temperature distributions of gas flow in microchannels, for Knudsen numbers ranging from 0.01 to 0.20, are investigated with pseudo-particle modeling (PPM). It has been found that the velocity profiles are mainly affected by Knudsen number and the external force fields applied. When Knudsen number was increased, the slip velocities on the walls increased at the beginning, and then decreased. The temperature distributions were also significantly affected by the external force. The Darcy friction factor increased with increasing Knudsen number, and its variation with Mach number under increased Knudsen number was similar to the so-called premature laminar-turbulent transition observed in experiments.

Discrete particle simulation of bubbling bed with jet flow at a single orifice based on the lattice Boltzmann method

This paper presents a discrete simulation of bubbling bed with jet flow at a single orifice using a lattice Boltzmann method based discrete particle model proposed by us. This algorithm is based on four-way coupling discrete particle simualtion whereas governing equations of fluid flow solved by modified lattice Boltzmann method with consideration of the effect of porosity and relative slip velocity between particle and fluid and interaction between particles modelled by time-driven hard-sphere model. The EMMS drag model is adopted for coupling between solid and gas phase. We first investigated the influence of particle diameter and gas jet velocity on bubble formation. The results show that bubble size reduces with increasing of particle diameter under the same gas injet velocity, while bubble size increases with increasing of gas jet velocity. Then the relationship of bubble detached from the bottom of bed with particle size and jet flow rate is explored. The results show that with the change of particle size and jet flow rate, bubble detached time is almost the same. We also found that the enlargement of solid initial bed has an effect on bubble size and shape. The bubble tends toward a circular shape with a wider bed of solids and become smaller with increasing of solid initial bed height. Finally we reproduced the phenomenon of bubble inducement that bubble tends move toward an empty region.

Synthesis and structural characterization of 2-D sandwich-type antimoniotungstate linked by transition metal cations

Sandwich-type tungstoantimonate was synthesized via aqueous solution synthesis. We structurally characterized the compound using elemental analysis, infrared spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. The results suggested that the compound is a triclinic system with a P -1 space group. The two-dimensional layered structure was formed through covalent bonding interactions between the sandwich-type polyoxoanion and the Mn2+ cations.

Coherence destruction of tunneling in a quantum-dot molecule with bias

This paper studies the constraint conditions for coherence destruction in tunneling by using perturbation theory and numerical simulation for an AC-field with bias and Coulomb interaction between electrons in a quantum dot molecule. Such conditions can be described by using the roots of a Bessel function Jn(x), where n is determined by both the bias and the Coulomb interactions, and x is the ratio of the amplitude to the frequency of the AC-field. Under such conditions, a coherent suppression of tunneling occurs between localized electronic states, which results from the dynamical localization phenomenon. All the conditions are verified with numerical simulations.

Structural relaxation of Pd39Ni10Cu30P21 bulk metallic glass under high pressure

The Pd39Ni10Cu30P21 bulk metallic glass is isothermally relaxed under various pressures. The degree of the structural relaxation is evaluated in terms of the enthalpy recovery behaviours involved in the irreversible glass transition processes by using a temperature-modulated differential scanning calorimetry technique. A roughly Linear increase of the recovery enthalpy is observed within the experimental pressure range fi-om 2.67 to 4.45 GPa, which reflects the release of the frozen-in enthalpy in the as-quenched glass with increasing relaxation pressure. The pressure dependence of the timescale of the enthalpy recovery processes is also exhibited.

Two-electron localization in a quantum dot molecule driven by a cosine squared field*

We investigate the dynamics of two interacting electrons confined in a quantum dot molecule under the influence of cosine squared electric fields. The conditions for two-electron localization in the same quantum dot are analytically derived within the frame of the Floquet formalism. The analytical results are compared to numerical results obtained from the solution of the time-dependent Schodinger equation.

The structural, elastic, and electronic properties of ZrxNb1?xC alloys from first principle calculations

The structural, elastic, electronic, and thermodynamic properties of ZrxNb1−xC alloys are investigated using the first principles method based on the density functional theory. The results show that the structural properties of ZrxNb1−xC alloys vary continuously with the increase of Zr composition. The alloy possesses both the highest shear modulus (215 GPa) and a higher bulk modulus (294 GPa), with a Zr composition of 0.21. Meanwhile, the Zr0.21 Nb0.79C alloy shows metallic conductivity based on the analysis of the density of states. In addition, the thermodynamic stability of the designed alloys is estimated using the calculated enthalpy of mixing.

Anisotropic localization behavior of graphene in the presence of diagonal and off-diagonal disorders

Anisotropic localization of Dirac fermions in graphene along both the x and y axes was studied using the transfer-matrix method. The two-parameter scaled behavior around the Dirac points was observed along the x axis with off-diagonal disorder. In contrast, the electronic state along the y axis with armchair edges was delocalized, which can be described well by single parameter scaling theory. This implies that the breakdown of the single-parameter scaling is related to the zigzag edge along the x axis. Furthermore, dimerization induced by the substrate suppresses the two-parameter scaling behavior along the x axis and preserves the delocalized state along the y axis. Our results also demonstrate anisotropic localization in graphene with diagonal disorder that can be tuned by dimerization.