Molecular Dynamics Simulation on Characteristics of Decomposition of Methane Hydrate in the Presence of Hydrogen Peroxide Solution

In this work, the characteristics of the decomposition of methane hydrate Structure I (SI) in the presence of hydrogen peroxide solution is investigated using the molecular dynamics simulation. The mechanism of the transformation process from the solid hydrate to the liquid is analyzed with the effect of hydrogen peroxide (HP) solution. In addition, the effect of ethylene glycol (EG) with the same molar concentration with HP on the methane hydrate dissociation is also studied. The results illustrate that both HP and EG promote well the hydrate dissociation. The work provides the important reference value for the experimental investigation into the promotion effect of HP on the hydrate dissociation.

The second dissociation threshold bound levels of hydrogen molecule

The near-threshold highly bound states of all three stable isotopic variants of molecular hydrogen have been studied. Numerous perturbations and unexpected transitions are observed as far as 1cm(-1) just below the second dissociation threshold. This complex structure may arise from a combination of nonadiabatic coupling between B, B', C electronic states, perturbations due to. ne and hyperfine interactions, and strong shape resonances. The perturbed near-threshold states and vibrational continuum exhibit finegrained structure, differing greatly between isotopes because of varying nonadiabatic coupling.

REDUCTION OF CRYSTALLINE DISORDER IN MOLECULAR-BEAM EPITAXY GAAS ON SI BY MEV ION-IMPLANTATION AND SUBSEQUENT ANNEALING

Molecular beam epitaxy GaAs films on Si, with thicknesses ranging from 0.9-2.0-mu-m, were implanted with Si ions at 1.2-2.6 MeV to doses in the range 10(15)-10(16) cm-2. Subsequent rapid infrared thermal annealing was carried out at 850-degrees-C for 15 s in a flowing N2 atmosphere. Crystalline quality was analyzed by using Rutherfold backscattering/channeling technique and Raman scattering spectrometry. The experimental results show that the recrystallization process greatly depends on the dose and energy of implanted ions. Complete recrystallization with better crystalline quality can be obtained under proper implantation and subsequent annealing. In the improved layer the defect density was much lower than in the as-grown layer, especially near the interface.

Characterization of deep centers in AlGaAs/InGaAs/GaAs pseudomorphic HEMT structures grown by molecular beam epitaxy and hydrogen treatment

In AlGaAs/InGaAs/GaAs PM-HEMT structures, the characterization of deep centers, the degradation in electrical and optical properties and their effects on electrical performance of the PM-HEMTs have been investigated by DLTS, SIMS, PL and conventional van der Pauw techniques. The experimental results confirm that the deep level centers correlate strongly with the oxygen content in the AlGaAs layer, the PL response of PM-HEMTs, and the electrical performance of the PM-HEMTs. Hydrogen plasma treatment was used to passivate/annihilate these centers, and the effects of hydrogenation were examined.

Morphology Evolution of (331)A High-Index Surfaces During Atomic Hydrogen Assisted Molecular Beam Epitaxy (MBE)

Step like morphology of (331)A high-index surfaces during atomic hydrogen assisted molecular beam epitaxy (MBE) growth has been investigated. Atomic Force Microscope (AFM) measurements show that in conventional MBE, the step heights and terrace widths of GaAs layers increase monotonically with increasing substrate temperatures. The terrace widths and step densities increase with increasing the GaAs layer thickness and then saturates. And, in atomic hydrogen assisted MBE, the terrace width reduces and density increases when depositing the same amount of GaAs. It attributes this to the reduced surface migration length of Ga adatoms with atomic hydrogen. Laterally ordered InAs self-aligned nano-wires were grown on GaAs (331)A surfaces and its optical polarization properties were revealed by photoluminescence measurements.

Modeling study to compare the flow and heat transfer characteristics of low-power hydrogen, nitrogen and argon arc-heated thrusters

A modelling study is performed to compare the plasma °ow and heat transfer char- acteristics of low-power arc-heated thrusters (arcjets) for three di®erent propellants: hydrogen, nitrogen and argon. The all-speed SIMPLE algorithm is employed to solve the governing equa- tions, which take into account the e®ects of compressibility, Lorentz force and Joule heating, as well as the temperature- and pressure-dependence of the gas properties. The temperature, veloc- ity and Mach number distributions calculated within the thruster nozzle obtained with di®erent propellant gases are compared for the same thruster structure, dimensions, inlet-gas stagnant pressure and arc currents. The temperature distributions in the solid region of the anode-nozzle wall are also given. It is found that the °ow and energy conversion processes in the thruster nozzle show many similar features for all three propellants. For example, the propellant is heated mainly in the near-cathode and constrictor region, with the highest plasma temperature appear- ing near the cathode tip; the °ow transition from the subsonic to supersonic regime occurs within the constrictor region; the highest axial velocity appears inside the nozzle; and most of the input propellant °ows towards the thruster exit through the cooler gas region near the anode-nozzle wall. However, since the properties of hydrogen, nitrogen and argon, especially their molecular weights, speci¯c enthalpies and thermal conductivities, are di®erent, there are appreciable di®er- ences in arcjet performance. For example, compared to the other two propellants, the hydrogen arcjet thruster shows a higher plasma temperature in the arc region, and higher axial velocity but lower temperature at the thruster exit. Correspondingly, the hydrogen arcjet thruster has the highest speci¯c impulse and arc voltage for the same inlet stagnant pressure and arc current. The predictions of the modelling are compared favourably with available experimental results.

Adaptive hormetic response of pre-exposure of mouse brain with low-dose C-12(6+) ion or Co-60 gamma-ray on growth hormone (GH) and body weight induced by subsequent high-dose irradiation

The brain of the Kun-Ming strain mice were irradiated with 0.05 Gy of C-12(6+) ion or Co-60 gamma-ray as the pre-exposure dose, and were then irradiated with 2 Gy of 12C6+ ion or Co-60 gamma-ray as challenging irradiation dose at 4 h after per-exposure. Body weight and serum growth hormone (GH) concentration were measured at 35th day after irradiation. The results showed that irradiation of mouse brain with 2 Gy of C-12(6+) ion or Co-60 gamma-ray significantly diminished mouse body weight and level of serum GH. The relative biological effectiveness values of a 2 Gy dose of C-12(6+) ion calculated with respect to Co-60 gamma-ray were 1.47 and 1.34 for body weight and serum GH concentration, respectively. Pre-exposure with a low-dose (0.05 Gy) of C-12(6+) ion or Co-60 gamma-ray significantly alleviated reductions of mouse body weight and level of serum GH induced by a subsequent high-dose (2 Gy) irradiation. The data suggested that low-dose ionizing irradiation can induce adaptive hormetic responses to the harmful effects of pituitary by subsequent high-dose exposure.

Molecular vibration spectroscopy study of irradiation effect in C-60 films induced by low energy ion

Irradiation effect in C-60 films induced by 170 keV B ion was investigated by means of Fourier transform infrared (FTIR) and Raman spectroscopies. The damage cross section sigma and the effective damage radius R are deduced from the experimental data of all four IR active modes and evident four Raman active modes of C-60 molecule. The differences on irradiation sensitivity and structural stability of the different active modes of C-60 molecule are compared. The results indicate that T-1u (4) of infrared active mode and A(g) (1) of Raman active mode are most sensitive for B ion irradiation. On the other hand T-1u (2) of infrared active mode and H-g (3) of Raman active mode are comparatively stable under B ion irradiation. (C) 2010 American Institute of Physics. [doi:10.1063/1.3512968]

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.