A new Monte Carlo simulation of the track structure of low-energy electrons （〈10keV） in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid w...A new Monte Carlo simulation of the track structure of low-energy electrons （〈10keV） in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons.展开更多
A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell＇s equations and the Beer-Lambert＇s law in t...A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell＇s equations and the Beer-Lambert＇s law in this work. The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti （virtual cavity） model and the Glauber-Lewenstein （real cavity） model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.展开更多
This paper proposes an accurate valuable interpretation scheme to study the evolvement of the photoionization processes from the isolated to the condensed atoms by a unique ab initio method. The variations of the phot...This paper proposes an accurate valuable interpretation scheme to study the evolvement of the photoionization processes from the isolated to the condensed atoms by a unique ab initio method. The variations of the photoionization cross sections of the atomic sodium with the photoelectron energy and the boundary radius of the atomic configuration space are studied in this new scheme by the R-matrix method. The discrepancy in the photoionization spectra of the isolated and the condensed sodium has been explained quantitatively and understood successfully by this alternative view in detail for the first time.展开更多
The photoabsorption cross sections of condensed atoms and molecules have proven to be dependent not only on the imaginary parts but also on the real parts of the polarizabilities due to the strong interatomie interact...The photoabsorption cross sections of condensed atoms and molecules have proven to be dependent not only on the imaginary parts but also on the real parts of the polarizabilities due to the strong interatomie interactions in condensed environment. The real parts of the polarizabilities calculated usually by using the famous Kramers-Kronig transformation （KKT） from the photoabsorption cross sections of the isolated atoms are very sensitive to the accuracy of the implementation method of the infinite integral in the KKT. The influence of the integral instability of the KKT and the real part of the polarizability on the variation of the photoabsorption cross sections with the number density and the structure of the condensed matter has been studied in the present work for the first time. The conclusion is that the integration method with interpolation has given more reasonable results than the direct truncation method if some appropriate interpolation functions have been used. Some notes and conclusions have also been given for the applications of the alternative coupled expressions of photoabsorption cross sections.展开更多
The influence of the local-field on the photoabsorption cross section of the atomic silver is studied in detail by using the Clausius-Mossotti （CM） model and the Onsager model separately. The variations of the photo...The influence of the local-field on the photoabsorption cross section of the atomic silver is studied in detail by using the Clausius-Mossotti （CM） model and the Onsager model separately. The variations of the photoabsorption cross section of atomic silver with number density and radius of the environmental interaction cavity are studied systematically by using more general expressions for the photoabsorption cross sections, proposed by Sun et al recently. It has proved to be reasonable to model the optical response properties of bulky material by coupling the property of isolated atom with the environmental effects in the present work.展开更多
The evolution of the photoabsorption cross sections of atomic xenon with number densities varying from ideal gas to condensed matter has been studied by an alternative view in the present work. The alternative express...The evolution of the photoabsorption cross sections of atomic xenon with number densities varying from ideal gas to condensed matter has been studied by an alternative view in the present work. The alternative expressions of the photoabsorption cross sections presented by Sun et al recently were used with the local field models that has proven to be generalized easily to multiatoinic systems including molecules and condensed phase systems. The present results show that the variation of the photoabsorption cross sections of atomic xenon in the giant resonance region from the isolated to the condensed conditions is very small, which agrees well with the variation law of the solid and gas experiments.展开更多
The strong interatomic interaction effects on photoabsorption cross sections of a private atom have been interpreted by the contribution of both the real and imaginary parts of atomic polarizability in the present wor...The strong interatomic interaction effects on photoabsorption cross sections of a private atom have been interpreted by the contribution of both the real and imaginary parts of atomic polarizability in the present work. Some unresolved differences between the photoabsorption cross sections of isolated atoms and those of condensed atoms, especially near thresholds and resonances, probably could be interpreted by the competition between the imaginary and real parts of atomic frequency-dependent polarizabilities.展开更多
文摘A new Monte Carlo simulation of the track structure of low-energy electrons （〈10keV） in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons.
基金The project supported by the Natural Science Foundation of Yantai Normal University under Grant No. 22270301. Computational work was carried out on the supercomputer Dawning-4000A at Yantai Normal University.
文摘A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell＇s equations and the Beer-Lambert＇s law in this work. The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti （virtual cavity） model and the Glauber-Lewenstein （real cavity） model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.
基金Project supported by the Natural Science Foundations of Ludong University (Grant Nos 22270301 and L20072804)
文摘This paper proposes an accurate valuable interpretation scheme to study the evolvement of the photoionization processes from the isolated to the condensed atoms by a unique ab initio method. The variations of the photoionization cross sections of the atomic sodium with the photoelectron energy and the boundary radius of the atomic configuration space are studied in this new scheme by the R-matrix method. The discrepancy in the photoionization spectra of the isolated and the condensed sodium has been explained quantitatively and understood successfully by this alternative view in detail for the first time.
基金Supported by the Natural Science Foundations of Ludong University under Grant Nos.22270301 and L20072804
文摘The photoabsorption cross sections of condensed atoms and molecules have proven to be dependent not only on the imaginary parts but also on the real parts of the polarizabilities due to the strong interatomie interactions in condensed environment. The real parts of the polarizabilities calculated usually by using the famous Kramers-Kronig transformation （KKT） from the photoabsorption cross sections of the isolated atoms are very sensitive to the accuracy of the implementation method of the infinite integral in the KKT. The influence of the integral instability of the KKT and the real part of the polarizability on the variation of the photoabsorption cross sections with the number density and the structure of the condensed matter has been studied in the present work for the first time. The conclusion is that the integration method with interpolation has given more reasonable results than the direct truncation method if some appropriate interpolation functions have been used. Some notes and conclusions have also been given for the applications of the alternative coupled expressions of photoabsorption cross sections.
基金Project supported by the Natural Science Foundation of Ludong University, China (Grant Nos 22270301 and L20072804)
文摘The influence of the local-field on the photoabsorption cross section of the atomic silver is studied in detail by using the Clausius-Mossotti （CM） model and the Onsager model separately. The variations of the photoabsorption cross section of atomic silver with number density and radius of the environmental interaction cavity are studied systematically by using more general expressions for the photoabsorption cross sections, proposed by Sun et al recently. It has proved to be reasonable to model the optical response properties of bulky material by coupling the property of isolated atom with the environmental effects in the present work.
基金Project supported by the Natural Science Foundations of Ludong University,Shandong Province,China (Grant Nos 22270301 and L20072804)
文摘The evolution of the photoabsorption cross sections of atomic xenon with number densities varying from ideal gas to condensed matter has been studied by an alternative view in the present work. The alternative expressions of the photoabsorption cross sections presented by Sun et al recently were used with the local field models that has proven to be generalized easily to multiatoinic systems including molecules and condensed phase systems. The present results show that the variation of the photoabsorption cross sections of atomic xenon in the giant resonance region from the isolated to the condensed conditions is very small, which agrees well with the variation law of the solid and gas experiments.
基金Project partly supported by the University Science & Technology Planning Program of Shandong Province of China (Grant No. J10LB60)Discipline Construction Fund and 2009 Technology Innovation Fund of Ludong University (Grant No. 09L026)
文摘The strong interatomic interaction effects on photoabsorption cross sections of a private atom have been interpreted by the contribution of both the real and imaginary parts of atomic polarizability in the present work. Some unresolved differences between the photoabsorption cross sections of isolated atoms and those of condensed atoms, especially near thresholds and resonances, probably could be interpreted by the competition between the imaginary and real parts of atomic frequency-dependent polarizabilities.
