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.

Transfer property of electron pulse in a femto-second electron diffraction system

An ultra-fast electron diffraction system has been designed. The static and dynamic characters of an electron pulse with 150 fs temporal dispersion are studied during its transmission in the whole ultra-fast electron diffraction system, including the size of the electron spot, temporal dispersion, distribution of azimuths and elevation angles. The initial status of the photoelectrons are put down by Monte Carlo method, both the two dimensional and three dimensional electric fields are calculated by finite difference method and the magnetic flux are. calculated by finite element method.

Near-Infrared Femtosecond Laser for Studying the Strain in Si1-xGex Alloy Films via Second-Harmonic Generation

The second-harmonic generation (SHG) from Si1-xGex alloy films has been investigated by near-infrared femtosecond laser. Recognized by s-out polarized SHG intensity versus rotational angle of sample, the crystal symmetry of the fully strained Si0.83Ge0.17 alloy is found changed from the O-h to the C-2 point group due to the inhomogeneity of the strain. Calibrated by double crystal X-ray diffraction, the strain-induced chi((2)) is estimated at 5.7 x 10(-7) esu. According to the analysis on p-in/s-out SHG, the strain-relaxed Si0.10Ge0.90 alloy film is confirmed to be not fully relaxed, and the remaining strain is quantitatively determined to be around 0.1%.

Second-Order Raman Scattering from n- and p-Type 4H-SiC

The results of second-order Raman-scattering experiments on n- and p-type 4H-SiC are presented,covering the acoustic and the optical overtone spectral regions.Some of the observed structures in the spectra are assigned to particular phonon branches and the points in the Brillouin zone from which the scattering originates.There exists a doublet at 626/636cm-1 with energy difference about 10cm-1 in both n- and p-type 4H-SiC,which is similar to the doublet structure with the same energy difference founded in hexagonal GaN,ZnO, and AlN.The cutoff frequency at 1926cm-1 of the second-order Raman is not the overtone of the A1(LO) peak of the n-type doping 4H-SiC,but that of the undoping one.The second-order Raman spectrum of 4H-SiC can hardly be affected by doping species or doping density.

The generalized second law of thermodynamics in generalized gravity theories

We investigate the generalized second law of thermodynamics (GSL) in generalized theories of gravity. We examine the total entropy evolution with time including the horizon entropy, the non-equilibrium entropy production, and the entropy of all matter, field and energy components. We derive a universal condition to protect the generalized second law and study its validity in different gravity theories. In Einstein gravity (even in the phantom-dominated universe with a Schwarzschild black hole), Lovelock gravity and braneworld gravity, we show that the condition to keep the GSL can always be satisfied. In f ( R) gravity and scalar-tensor gravity, the condition to protect the GSL can also hold because the temperature should be positive, gravity is always attractive and the effective Newton constant should be an approximate constant satisfying the experimental bounds.

放疗中二次原发性肿瘤的研究进展；Progress in Second Primary Cancer Research

回顾了辐射致癌方面的研究进展和二次原发性肿瘤在放射医学领域中的提出和发展,总结了辐射致癌的一般特征以及主要医用放射性装置对二次原发性肿瘤发病的影响。重点阐述了年龄、性别、组织敏感性和照射剂量等重要影响因素在二次原发性肿瘤发病上造成的差异和原因。讨论了部分潜在的影响因素。展望了二次原发性肿瘤方面研究的前景和在放射治疗领域中的重要意义。

Density functional study of the second row transition metal dimers

Equilibrium geometries, vibrational frequencies and dissociation energies of the second row transition metal dimers (from Y-2 to Cd-2 except Tc-2) ere studied by use of density functional methods B3LYP, BLYP, B3PW91, BHLYP, BP86, B3P86, SVWN, MPW1PW91 and PBE1PBE. The accuracy DFT methods is found to be highly dependent on the functional employed, in particular for vibrational frequency and dissociation energy. In most cases, the predicted bond distance is in general agreement with experiment and previous theoretical results. For van der Waals dimer Cd-2, B3LYP and BLYP have excellent performance in predicting the bond distance. For Ag-2, all density functional methods used in this study perform well in producing the bond distance, vibrational frequency and dissociation energy.

Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G

More than 22 000 folding kinetic simulations were performed to study the temperature dependence of the distribution of first passage time (FPT) for the folding of an all-atom Go-like model of the second beta-hairpin fragment of protein G. We find that the mean FPT (MFPT) for folding has a U (or V)-shaped dependence on the temperature with a minimum at a characteristic optimal folding temperature T-opt*. The optimal folding temperature T-opt* is located between the thermodynamic folding transition temperature and the solidification temperature based on the Lindemann criterion for the solid. Both the T-opt* and the MFPT decrease when the energy bias gap against nonnative contacts increases. The high-order moments are nearly constant when the temperature is higher than T-opt* and start to diverge when the temperature is lower than T-opt*. The distribution of FPT is close to a log-normal-like distribution at T* greater than or equal to T-opt*. At even lower temperatures, the distribution starts to develop long power-law-like tails, indicating the non-self-averaging intermittent behavior of the folding dynamics. It is demonstrated that the distribution of FPT can also be calculated reliably from the derivative of the fraction not folded (or fraction folded), a measurable quantity by routine ensemble-averaged experimental techniques at dilute protein concentrations.

Calculations of cross sections of resonant two-photon transitions to the second excited 4f5d state in Pr3+: Y3Al5O12 using density matrix theory

The density matrix resonant two-photon absorption (TPA) theory applicable to laser crystals doped with rare earth ions is described. Using this theory, resonant TPA cross sections for transitions from the ground state to the second excited state of the 4f5d configuration in cm(4)s Pr3+:Y3Al5O12 are calculated. The peak value of TPA cross section calculated is 2.75 x 10(-50) cm(4)s which is very close to the previous experimental value 4 x 10(-50) cm(4) s. The good agreement of calculated data with measured values demonstrates that the density matrix resonant TPA theory can predict resonant TPA intensity much better than the standard second-order perturbation TPA theory.