GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates (S_n) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.     

Performance of non-thermal DBD plasma reactor during the removal of hydrogen sulfide

Destruction of hydrogen sulfide using dielectric barrier discharge plasma in a coaxial cylindrical reactor was carried out at atmospheric pressure and room temperature. Three types of DBD reactor were compared in terms of specific energy density (SED), equivalent capacitances of the gap (Cg) and the dielectric barrier (Cd), energy yield (EY), and H₂S decomposition. In addition, byproducts during the decomposition of H₂S and destruction mechanism were also investigated. SED for all the reactors depended almost linearly on the voltage. In general, Cg decreased with increasing voltage and with the existence of pellet material, while Cd displayed the opposite trend. The removal efficiency of H₂S increased substantially with increasing AC frequency and applied voltage. Longer gas residence times also contributed to higher H₂S removal efficiency. The choice of pellet material was an important factor influencing the H₂S removal. The reactor filled with ceramic Raschig rings had the best H₂S removal performance, with an EY of 7.30 g/kWh. The likely main products in the outlet effluent were H₂O, SO₂, and SO₃.     

Synthesis of spinel CuCo2O4 nanoparticles and its application in p-nitrophenol reduction

Journal of Sol-Gel Science and Technology - CuCo2O4 spinel nanoparticles were successfully preparedvia a sol–gel method, which were firstly employed in catalytic reduction of p-nitrophenol to...     

The effect of B2O3 impurity in the original B powder on the phase formation of MgB2 during the sintering process

Combined with the thermal analysis and phase identification, the influence of the B₂O₃ impurity in the original B powder on the phase formation of MgB₂ during the sintering process was investigated. It is found that how the B₂O₃ impurity in the original B powder affects the sintering process of MgB₂ depends on the reactivity of Mg particles in the original powder. If the Mg particles in the original powder are small and reactive enough, the B₂O₃ impurity could react with them before Mg melting during the sintering process and accelerate the solid–solid reaction between Mg and B. Otherwise, the B₂O₃ impurity could not react with Mg particles before Mg melting and depress the solid–solid reaction between Mg and B.     

Surfactant-assisted preparation of nanohybrid for simultaneously improving enzyme-immobilization and electron-transfer in biosensor and biofuel cell

Journal of Solid State Electrochemistry - As enzyme-immobilization and electron-transfer are the key factors for fabricating an enzymatic bioelectrode and its devices, we investigated a strategy to...     

An efficient synthesis of δ-glyconolactams by intramolecular Schmidt–Boyer reaction under microwave radiation

δ-Glyconolactams were first synthesized by the intramolecular Schmidt–Boyer reaction using corresponding δ-azidosugars as starting material. The reaction could be efficiently performed in good yields of 61–69% under microwave radiation in acid condition, providing an alternative protocol to iminosugar δ-lactam.     

Zn or O? An Atomic Level Comparison on Antibacterial Activities of Zinc Oxides

For the first time, the influence of different types of atoms (Zn and O) on the antibacterial activities of nanosized ZnO was quantitatively evaluated with the aid of a 3D‐printing‐manufactured evaluation system. Two different outermost atomic layers were manufactured separately by using an ALD (atomic layer deposition) method. Interestingly, we found that each outermost atomic layer exhibited certain differences against gram‐positive or gram‐negative bacterial species. Zinc atoms as outermost layer (ZnO?Zn) showed a more pronounced antibacterial effect towards gram‐negative E. coli (Escherichia coli), whereas oxygen atoms (ZnO?O) showed a stronger antibacterial activity against gram‐positive S. aureus (Staphylococcus aureus). A possible antibacterial mechanism has been comprehensively discussed from different perspectives, including Zn²⁺ concentrations, oxygen vacancies, photocatalytic activities and the DNA structural characteristics of different bacterial species.