Calculation of Total Recation Cross Sections Induced by Intermediate Energy α—Particles with the Boltamann—Uehling—Uhlenbeck Model

The Boltzmann-Uehling-Uhlenbeck(BUU)model,which includes the Fermi motion,the mean field,individual nucleon-nucleon(N-N)interactions and the Pauli blocking effect,etc.,is used to cakulate the total reaction cross section σR induced by a-particlea on different targets in the incident energy range from 17.4 to 48.1 MeV/u. The calculation result can well reproduce the experimental data.The nucleus-nucleas interaction radius parameter ro was extracted from experimental σR.It is found ro becomes constant with the increasing mass number of target.     

One—Proton Halo in ^31Cl with Relativistic Mean—Field Theory

We investigate proton-rich isotopes ^31,32Cl using the nonlinear relativistic mean-field model.It is shown that this model can reproduce the properties of these nuclei well.A long tail appears in the calculated proton density distribution of ^31Cl.The results of relativistic density-dependent Hartree theory show a similar trend of tail density distribution.It is strongly suggested that there is a proton halo in ^31Cl and it is indicated that there may be a proton skin in ^32Cl.The relation between the proton halo in ^31Cl and the new proton magic number is discussed.     

Density-dependent potential for multi-neutron halo nuclei

We apply a simple density-dependent potential model to the three-body calculation of the groundstate structure of drip-line nuclei with a weakly bound core. The hyperspherical harmonics method is used to solve the Faddeev equations. There are no undetermined potential parameters in this calculation. We find that for the halo nuclei with a weakly-bound core, the calculated properties of the ground-state structure are in better agreement with experimental data than the results calculated from the standard Woods-Saxon and Gauss type potentials. We also successfully reproduce the experimental cross sections by using the density calculated from this method. This may be explained by the fact that the simple Fermi or Gaussian function can not exactly describe the density distribution of the drip-line nuclei.     

Comparison study of the charge density distribution induced by heavy ions and pulsed lasers in silicon

Heavy ions and pulsed lasers are important means to simulate the ionization damage effects on semiconductor materials. The analytic solution of high-energy heavy ion energy loss in silicon has been obtained using the Bethe-Bloch formula and the Kobetich-Katz theory, and some ionization damage parameters of Fe ions in silicon, such as the track structure and ionized charge density distribution, have been calculated and analyzed according to the theoretical calculation results. Using the Gaussian function and Beer＇s law, the parameters of the track structure and charge density distribution induced by a pulsed laser in silicon have also been calculated and compared with those of Fe ions in silicon, which provides a theoretical basis for ionization damage effect modeling.     

Total Nuclear Reaction Cross Section Induced by Halo Nuclei and Stable Nuclei

We develop a method for calculation of the total reaction cross sections induced by the halo nuclei and stable nuclei. This approach is based on the Glauber theory, which is valid for nuclear reactions at high energies. It is extended for nuclear reactions at low energies and intermediate energies by including both the quantum correction and Coulomb correction under the assumption of the effective nuclear density distribution. The calculated results of the total reaction cross section induced by stable nuclei agree well with 30 experimental data within 10 percent accuracy.The comparison between the numerical results and 20 experimental data for the total nuclear reaction cross section induced by the neutron halo nuclei and the proton halo nuclei indicates a satisfactory agreement after considering the halo structure of these nuclei, which implies quite digerent mean fields for the nuclear reactions induced by halo nuclei and stable nuclei. The halo nucleon distributions and the root-mean-square radii of these nuclei can be extracted from the above comparison based on the improved Glauber model, which indicates clearly the halo structures of these nuclei. Especially,it is clear to see that the medium correction of the nucleon-nucleon collision has little effect on the total reaction cross sections, induced by the halo nuclei due to the very weak binding and the very extended density distribution.     

Cascade-exciton model analysis of level density parameter dependence in proton induced fission cross sections of some sub-actinide nuclei

Fission cross sections strongly depend on the ratio of the level density parameter in fission to neutron emission, a_f/a_n. In this work, a cascade-exciton model implemented in the code CEM95 has been used to observe this effect for proton induced fission cross sections of tungsten, lead and bismuth. The method was employed using different level density parameter ratios for each fission cross section calculation. The calculated fission cross sections are compared with the available experimental data in the literature. It has been observed that a change of the ratio of the level density parameter, a_f/a_n, is necessary with the incident energy of the proton, to best estimate the fission cross sections in CEM95.     

All-electron study of ultra-incompressible superhard material ReB2: structural and electronic properties

This paper investigates the structural and electronic properties of rhenium diboride by first-principles calculation based on density functional theory. The obtained results show that the calculated equilibrium structural parameters of ReB2 are in excellent agreement with experimental values. The calculated bulk modulus is 361 GPa in comparison with that of the experiment. The compressibility of ReB2 is lower than that of well-known OsB2. The anisotropy of the bulk modulus is confirmed by c/a ratio as a function of pressure curve and the bulk modulus along different axes along with the electron density distribution. The high bulk modulus is attributed to the strong covalent bond between Re-d and B-p orbitals and the wider pseudogap near the Fermi level, which could be deduced from both electron charge density distribution and density of states. The band structure and density of states of ReB2 exhibit that this material presents metallic behavior. The good metallicity and ultra-incompressibility of ReB2 might suggest its potential application as pressure-proof conductors.     

The application of arbitrary incidence laser beams heat treatment temperature field calculation formulas

Based on the calculation formulas of heat treatment temperature field for an arbitrary incident laser intensity distribution, the transformation intensity distribution of CO2 laser beam passing an integrating mirror is studied theoretically and experimentally. The derived formulas are applied in laser heat treatment research which is transformed by optical system, and the theoretical calculation results are compared with experimental results. It is shown that the formulas can be used to calculate the laser heat treatment temperature field accurately, and the calculation speed is obviously faster than the numerical calculation methods with the same precision. The calculation software can be used to select proper experiment parameters.     

Radius studies of 8Li and 8B using the optical-limit Glauber model in conjunction with relativistic mean-field theory

We study the reaction cross sections(σR) and root-mean-square(RMS) radii of 8Li and 8B,the halo-like nuclei,with stable target 12C,27Al and 9Be within the standard optical-limit Glauber model,using densities obtained from relativistic mean-field(RMF) formalisms and other types of distributions.It is found that the experimental σR can be reproduced well at high energy.The RMS radius and △r extracted by RMFtheory and harmonic oscillator distribution are compared.We find that the RMS radius and △r of 8B are larger than those of 8Li.In addition,we analyze in detail the relationship between σR and density distribution.     

The application of arbitrary incidence laser beams heat treatment temperature field calculation formulas

Based on the calculation formulas of heat treatment temperature field for an arbitrary incident laser intensity distribution, the transformation intensity distribution of CO2 laser beam passing an integrating mirror is studied theoretically and experimentally. The derived formulas are applied in laser heat treatment research which is transformed by optical system, and the theoretical calculation results are compared with experimental results. It is shown that the formulas can be used to calculate the laser heat treatment temperature field accurately, and the calculation speed is obviously faster than the numerical calculation methods with the same precision. The calculation software can be used to select proper experiment parameters.     

Structural and Dynamic Properties of Amorphous Silicon： Tight-Binding Molecular Dynamics Simulation

The tight-binding molecular dynamics simulation has been performed to study structural and dynamical properties of amorphous silicon. It is found that the radial distribution function and static structure factor are in good agreement with the experimental measurements. The bond order parameters Q1 are sensitive to the structure change at different quenching rates. For the dynamical properties, we have calculated the vibration and electronic density of states. The simulation results show that the transverse acoustic is in good agreement with the experimental data, and the high frequency transverse optical (TO) peak shifts to the right of the experimental TO peak.     

A Discussion on Whether 15-20C Are All Skin Nuclei via Isospin-dependent Boltzmann-Langevin Equation

A new attempt of calculation for the toted reaction cross sections （σR） has been carried out within the isospindependent Boltzmann-Langevin equation in the intermediate energy heavy-ion collision of isotopes of C. The σR of both stable and exotic nuclei are reproduced rather well. The incident energy and isospin dependencies of σR have been investigated. It is found that the isospin effect is comparatively remarkable at intermediate energy. It is also found that 15-18C are neutron skin nuclei but for 19C and 20C we cannot draw a conclusion whether they have halo structures.     

用光学极限的Glauber模型结合相对论平均场对8Li和8B的半径的研究

We study the reaction cross sections （σR） and root-mean-square （RMS） radii of ^8Li and ^8B, the halo-like nuclei, with stable target ^12C, ^27Al and ^9Be within the standard optical-limit Glauber model, using densities obtained from relativistic mean-field （RMF） formalisms and other types of distributions. It is found that the experimental σR can be reproduced well at high energy. The RMS radius and Ar extracted by RMF- theory and harmonic oscillator distribution are compared. larger than those of SLi. In addition, we analyze in detail the We find that the RMS radius and Ar of SB are relationship between σR and density distribution.     

Calculation of decay half-lives for superheavy elements using the double folding model

α decay half-lives of some new synthesized superheavy elements, possibly synthesized superheavy elements and decay products are calculated theoretically within the WKB approximation by using microscopic m-nucleus interaction potentials. These nuclear potentials between the α particle and daughter nuclei are obtained by using the double folding integral of the matter density distribution of the α particle and daughter nuclei with a density-dependent effective nucleon-nucleon interaction, in which the zero-range exchange term is supplemented. The calculated α decay half-lives are compared with those of the different models and experimental data. It is shown that the present calculation successfully provides the half-lives of the observed αdecays for some new superheavy elements and therefore gives reliable predictions for α decay of possibly synthesized superheavy elements in future experiments.     

Calculation of α decay half-lives for superheavy elements using the double folding model＊

α decay half-lives of some new synthesized superheavy elements, possibly synthesized superheavy elements and decay products are calculated theoretically within the WKB approximation by using microscopic α-nucleus interaction potentials. These nuclear potentials between the α particle and daughter nuclei are obtained by using the double folding integral of the matter density distribution of the α particle and daughter nuclei with a density-dependent effective nucleon-nucleon interaction, in which the zero-range exchange term is supplemented. The calculated α decay half-lives are compared with those of the different models and experimental data. It is shown that the present calculation successfully provides the half-lives of the observed decays for some new superheavy elements and therefore gives reliable predictions for α decay of possibly synthesized superheavy elements in future experiments.     

Structure of β-emitting nuclei 29P

The extoic structure of ²⁹P was investigated by measuring its magnetic moment in the ground state with β-NMR method. We got the experimental value of 1.2346 μ_N after diamagnetism correction. It is very close to the calculated value of 1.1009 μ_N computed with shell model. The shell model calculation also gave a proton density distribution of ²⁹P with a long tail. The present results show that 2s_1/2 proton in the ²⁹P may lead to the proton-skin structure.     

Density-functional theory study on the electronic properties of laves phase superconductor CaIr_2

In this work we have used density-functional theory methods such as full-potential local orbital minimum basis(FPLO) and ELK-flapw to study the electronic structure of newly discovered Laves phase superconductor CaIr_2.The calculation of density of states(DOS) indicates that the bands near Fermi level are mostly occupied by the d-electrons of iridium.The simulation of de Haas-van Alphen(dHvA) effect has been performed by using Elk code to check the Fermi surface topology.The results show that there exist four Fermi surfaces in CaIr_2,including two electron-type and two hole-type surfaces.The optical response properties of CaIr_2 have been calculated in the dipole-transition approximations combined with including intra-band Drude-like terms.In the optical spectrum σ(ω) shows that the crossover from intraband to inter-band absorption occur near 1.45 eV.Further analysis on the electron energy loss spectra(EELS) matches the conclusion from that of optical conductivity σ(ω).     

Ab initio calculations of the elastic, electronic, optical, and vibrational properties of PdGa compound under pressure

The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framework of the density functional theory. The calculated lattice constant has been compared with the experimental value and has been found to be in good agreement with experimental data. The obtained electronic band structures show that PdGa compound has no band gap. The second-order elastic constants have been calculated, and the other related quantities such as the Young’s modulus, shear modulus, Poisson’s ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated. Our calculated results of elastic constants show that this compound is mechanically stable. Furthermore, the real and imaginary parts of the dielectric function and the optical constants such as the electron energy-loss function, the optical dielectric constant and the effective number of electrons per unit cell are calculated and presented in the study. The phonon dispersion curves are also derived using the direct method.     

A possible experimental observable for the determination of neutron skin thickness

The dependence between neutron skin thickness and neutron abrasion cross section （σnabr） for neutron-rich nuclei is investigated within the framework of the statistical abrasion ablation model. Assuming that the density distributions for proton and neutron are of Fermi-type, and adjusting the diffuseness parameter of neutron density distribution in the droplet model, we find out the good linear correlation between the neutron skin thickness and the abrasion cross section σnabr for neutron-rich nuclei. The uncertainty of neutron skin thickness determined from σnabr is very small. It is suggested that σnabr can be used as a new experimental observable to extract the neutron skin thickness for neutronrich nucleus. The scaling behaviours between neutron skin thickness and σnabr, separately, for isotopes of ^26-35Na, ^44-56Ar, ^48-60Ca, ^67-78Ni are also investigated.     

Effect of pressure on the elastic properties and optoelectronic behavior of Zn_4B_6O_(13): First-principles investigation

The hydrostatic-pressure-dependent mechanical stability and optoelectronic behavior of Zn_4B_6O_(13)(ZBO) are calculated using the exchange-correlation functional Perdew–Burke–Ernzerhof generalized gradient approximation and the hybrid functional PBE0 based on density functional theory. The calculated and experimental unit cell volumes and Vickers hardness of ZBO at zero pressure agree well. ZBO is mechanically stable under the critical pressure of 52.98 GPa according to the generalized stability criteria. Furthermore, Young's modulus and Vickers hardness decrease with increasing hydrostatic pressure. The strength and type of ZBO bonds are investigated by population and electron density difference. The electronic structure at zero pressure reveals that ZBO is an indirect band gap semiconductor, and the calculated 5.62-e V bandgap coincides well with the 5.73-e V experimental value, highlighting the success of the hybrid functional PBE0 calculations of electronic properties. The band gap almost increases as a second-order polynomial of pressure, and the indirect nature does not change with the applied external pressure. The optical reflectivity and absorption coefficient show that ZBO is an excellent ultraviolet photodetector. Our calculation results suggest that the elastic and optical properties of ZBO are highly stable over a wide pressure range.