The lattice parameters, elastic constants, cohesive energy, structural energy differences, as well as the properties of point defects and planar defects of hexagonal closepacked yttrium （hcpY） have been studied with...The lattice parameters, elastic constants, cohesive energy, structural energy differences, as well as the properties of point defects and planar defects of hexagonal closepacked yttrium （hcpY） have been studied with ab initio density functional theory for constructing an ex tensive database. Based on an analytical bondorder poial scheme, empirical manybody interatomic potential for hcpY has been developed. The model is fitted to some properties of Y, e.g., the lattice parameters, elastic constants, bulk modulus, cohesive energy, vacancy formation energy, and the structural energy differences. The present potential has ability to reproduce defect properties including the selfinterstitial atoms formation energies, vacancy formation energy, divacancy binding energy, as well as the bulk properties and the thermal dynamic properties.展开更多
The instanton induced cross section in deep inelastic kinematics is a subject which people are tendentious to investigate it. Instanton induced contributions are well defined for the nucleon structure function. The no...The instanton induced cross section in deep inelastic kinematics is a subject which people are tendentious to investigate it. Instanton induced contributions are well defined for the nucleon structure function. The non-perturbative contribution to the quark distributions of structure function, F2（x, Q2）, is considered within an instanton model for the QCD vacuum. We find that the structure function may possess numerically large non-perterbative contributions which are related to the violation of chirality and correspond to the correction of parton distribution of the leading twist. It is shown that the instantons give a negative contribution to the structure function at the NLO approximation. A comparison between our results, considering instantaon effect, and the case when we do not take this effect is done. Taking into account the instanton size, p, via the modified running coupling constant we get to a good agreement between our results at the NLO and NNLO approximations and the available experimental data, specially at the low values of the Bjorken variable x 〈 0.1 which confirms the validity of our calculations.展开更多
文摘The lattice parameters, elastic constants, cohesive energy, structural energy differences, as well as the properties of point defects and planar defects of hexagonal closepacked yttrium （hcpY） have been studied with ab initio density functional theory for constructing an ex tensive database. Based on an analytical bondorder poial scheme, empirical manybody interatomic potential for hcpY has been developed. The model is fitted to some properties of Y, e.g., the lattice parameters, elastic constants, bulk modulus, cohesive energy, vacancy formation energy, and the structural energy differences. The present potential has ability to reproduce defect properties including the selfinterstitial atoms formation energies, vacancy formation energy, divacancy binding energy, as well as the bulk properties and the thermal dynamic properties.
文摘The instanton induced cross section in deep inelastic kinematics is a subject which people are tendentious to investigate it. Instanton induced contributions are well defined for the nucleon structure function. The non-perturbative contribution to the quark distributions of structure function, F2（x, Q2）, is considered within an instanton model for the QCD vacuum. We find that the structure function may possess numerically large non-perterbative contributions which are related to the violation of chirality and correspond to the correction of parton distribution of the leading twist. It is shown that the instantons give a negative contribution to the structure function at the NLO approximation. A comparison between our results, considering instantaon effect, and the case when we do not take this effect is done. Taking into account the instanton size, p, via the modified running coupling constant we get to a good agreement between our results at the NLO and NNLO approximations and the available experimental data, specially at the low values of the Bjorken variable x 〈 0.1 which confirms the validity of our calculations.
