Contributions of optimized tensor interactions on the binding energies of nuclei

The tensor parts of Skyrme interactions are constrained from the collective charge-exchange spin-dipole and Gamow-Teller excitation energies in 90Zr and 208Pb,together with the isotopic dependence of energy splitting between proton h11=2 and g7=2 single-particle orbits along the Z=50 isotopes.With the optimized tensor interactions,the binding energies of spherical or weakly deformed nuclei with A=54-228 are studied systematically.The present results show that the global effect of tensor interaction is attractive and systematically increases the binding energies of all these nuclei and makes the nuclei more bound.The root mean squared deviation of the calculated binding energies from the experimental values is significantly improved by the optimized tensor interactions,and the contribution of the tensor interaction to the binding energy is estimated.

Binding energies of impurity states in strained wurtzite GaN/Al_xGa_(1-x)N heterojunctions with finitely thick potential barriers

Ground state binding energies of donor impurities in a strained wurtzite GaN/AlxGal_xN heterojunction with a po- tential barrier of finite thickness are investigated using a variational approach combined with a numerical computation. The built-in electric field due to the spontaneous and piezoelectric polarization, the strain modification due to the lattice mismatch near the interfaces, and the effects of ternary mixed crystals are all taken into account. It is found that the binding energies by using numerical wave functions are obviously greater than those by using variational wave functions when impurities are located in the channel near the interface of a heterojunction. Nevertheless, the binding energies using the former functions are obviously less than using the later functions when impurities are located in the channel far from an interface. The difference between our numerical method and the previous variational method is huge, showing that the former should be adopted in further work for the relevant problems. The binding energies each as a function of hydrostatic pressure are also calculated. But the change is unobvious in comparison with that obtained by the variational method.

On Dineutron and Deuteron Binding Energies

The binding energy of the deuteron is estimated from the scalar strong interaction hadron theory SSI. The predicted value is 7.7% lower than the measured value. Existence of a spin 1 dineutron with a binding energy 4/5 that of the deuteron or 1.78 MeV is predicted. This is verified by the dineutron, first observed in 2012, in 16Be decay. No free dineutrons are expected to exist in nature as they can decay into deuterons. These binding energies are limited by short range strong interaction internucleon forces but consist of long range electrostatic energies from quark charges.

Binding Energy, Root Mean Square Radius and Magnetic Dipole Moment of the Triton Nucleus

The basis functions of the translation invariant shell model are used to construct the ground state nuclear wave functions of 3H. The used residual two-body interactions consist of central, tensor, spin orbit and quadratic spin orbit terms with Gaussian radial dependence. The parameters of these interactions are so chosen in such a way that they represent the long-range attraction and the short-range repulsion of the nucleon-nucleon interactions. These parameters are so chosen to reproduce good agreement between the calculated values of the binding energy, the root mean-square radius, the D-state probability, the magnetic dipole moment and the electric quadrupole moment of the deuteron nucleus. The variation method is then used to calculate the binding energy of triton by varying the oscillator parameter which exists in the nuclear wave function. The obtained nuclear wave functions are then used to calculate the root mean-square radius and the magnetic dipole moment of the triton.

Influence of binding energies of electrons on nuclear mass predictions

Nuclear mass contains a wealth of nuclear structure information, and has been widely employed to extract the nuclear effective interactions. The known nuclear mass is usually extracted from the experimental atomic mass by subtracting the masses of electrons and adding the binding energy of electrons in the atom. However, the binding energies of electrons are sometimes neglected in extracting the known nuclear masses. The influence of binding energies of electrons on nuclear mass predictions are carefully investigated in this work. If the binding energies of electrons are directly subtracted from the theoretical mass predictions, the rms deviations of nuclear mass predictions with respect to the known data are increased by about 200 keV for nuclei with Z, N ~〉 8. Furthermore, by using the Coulomb energies between protons to absorb the binding energies of electrons, their influence on the rms deviations is significantly reduced to only about 10 keV for nuclei with Z, N ≥ 8. However, the binding energies of electrons are still important for the heavy nuclei, about 150 keV for nuclei around Z = 100 and up to about 500 keV for nuclei around Z = 120. Therefore, it is necessary to consider the binding energies of electrons to reliably predict the masses of heavy nuclei at an accuracy of hundreds of keV.

Investigation of Nuclear Binding Energy and Charge Radius Based on Random Forest Algorithm

The random forest algorithm was applied to study the nuclear binding energy and charge radius.The regularized root-mean-square of error(RMSE)was proposed to avoid overfitting during the training of random forest.RMSE for nuclides with Z,N>7 is reduced to 0.816 MeV and 0.0200 fm compared with the six-term liquid drop model and a three-term nuclear charge radius formula,respectively.Specific interest is in the possible(sub)shells among the superheavy region,which is important for searching for new elements and the island of stability.The significance of shell features estimated by the so-called shapely additive explanation method suggests(Z,N)=(92,142)and(98,156)as possible subshells indicated by the binding energy.Because the present observed data is far from the N=184 shell,which is suggested by mean-field investigations,its shell effect is not predicted based on present training.The significance analysis of the nuclear charge radius suggests Z=92 and N=136 as possible subshells.The effect is verified by the shell-corrected nuclear charge radius model.

XPS Studies on Electroless As-Deposited and Annealed Ni-P Films

Electroless deposition has been used to deposit Ni-P films on glass slides using the reducing agent sodium hypophosphite. This has been done with a purpose to use Ni-P films as back contact for silicon carbide radiation detectors. By keeping deposition time, temperature, pH and concentration of the precursor solution constant, the film deposition has been done. XPS studies were done to analyze the composition and stoichiometry of Ni-P thin films.

Calibration of Binding Energy Positions with C1s for XPS Results

The adventitious carbon located at 284.8 eV was used to calibrate samples without the carbon themselves.When the carbon is as a major part of the inorganic material,the adventitious carbon should be identified and used as the reference.There is no adventitious carbon on the surfaces of the polymer materials,so using C1s of the carbon in the polymer itself to calibrate the charging effect is reasonable.Furthermore,compared with gold and argon,a more practical and convenient method based on C1s is proposed to get the right positions for binding energy peaks.

The binding energy of a hydrogenic impurity in self-assembled double quantum dots

The binding energy of a hydrogenic impurity in self-assembled double quantum dots is calculated via the finitedifference method. The variation in binding energy with donor position, structure parameters and external magnetic field is studied in detail. The results found are： （i） the binding energy has a complex behaviour due to coupling between the two dots; （ii） the binding energy is much larger when the donor is placed in the centre of one dot than in other positions; and （iii） the external magnetic field has different effects on the binding energy for different quantum-dot sizes or lateral confinements.

THE GENERALIZED RIEMANN PROBLEM FOR A SCALAR NONCONVEX COMBUSTION MODEL-THE PERTURBATION ON INITIAL BINDING ENERGY

In this article, we study the generalized Riemann problem for a scalar non- convex Chapman-Jouguet combustion model in a neighborhood of the origin （t 〉 0） on the （x, t） plane. We focus our attention to the perturbation on initial binding energy. The solutions are obtained constructively under the entropy conditions. It can be found that the solutions are essentially different from the corresponding Riemann solutions for some cases. Especially, two important phenomena are observed： the transition from detonation to deflagration followed by a shock, which appears in the numerical simulations [7, 27]; the transition from deflagration to detonation （DDT）, which is one of the core problems in gas dynamic combustion.

Ab Initio Studies on the Structure and Binding Interaction of M^+CO_2(M=Sc,Ti…Zn)

The geometry and binding interaction of M+CO2 (M represents the firstrow transition metals) were studied using ab initio methods. In some cases the frequency calculations and basis set superposition error corrections were included. For all the complexes under the study, the linear structures were found to be the equilibrium structure. The distances of M+—O in R(M+—O) in which M has 4s electrons are obvious longer than those in which M has no 4s electrons, and from Sc to Zn the change trend is decreased, accompanied with some oscillation. The binding energy has an opposite change trend to that of the R(M+—O). Linear M+CO2 has the same spin as M+, while Tshape structures may have different spins. The static electronic interaction was found to be about 80% of the total binding energy.

BINDING ENERGY OF SHALLOW DONOR IN In_xGa_(1-x)As/GaAsSTRAINED QUANTUM WELL

The effect of the dielectric mismatch between the well and the barrier materials on the binding energies of shallow donor has been investigated in Inx Ga1-xAs/GaAsstrained quantum well. The binding energies as a function of the well widths and impurity positions in the well and the barriers are obtained by using a variational method. Calculation results show that the effect of the dielectric mismatch is quite sizable and such effect is larger for off-center impurity positions,but the effect of the lattice mismatch is small in general.

Size dependence of biexciton binding energy in single InAs/GaAs quantum dots

This paper studies the size dependence of biexciton binding energy in single quantum dots （QDs） by using atomic force microscopy and micro-photoluminescence measurements. It finds that the biexciton binding energies in the QDs show ＂binding＂ and ＂antibinding＂ properties which correspond to the large and small sizes of QDs, respectively. The experimental results can be well interpreted by the biexciton potential curve, calculated from the exciton molecular model and the Heitler London method.

Free Energy of Binding of Coiled-Coil Complexes with Different Electrostatic Environments:The Influence of Force Field Polarisation and Capping

Coiled-coils are well known protein–protein interaction motifs,with the leucine zipper region of activator protein-1(AP-1)consisting of the c-Jun and c-Fos proteins being a typical example.Molecular dynamics(MD)simulations using the MM/GBSA method have been used to predict the free energy of interaction of these proteins.The influence of force field polarisation and capping on the predicted free energy of binding of complexes with different electrostatic environments(net charge)were investigated.Although both force field polarisation and peptide capping are important for the prediction of the absolute free energy of binding,peptide capping has the largest influence on the predicted free energy of binding.Polarisable simulations appear better suited to determine structural properties of the complexes of these proteins while non-polarisable simulations seem to give better predictions of the associated free energies of binding.

BINDING ENERGY OF THE SHALLOW DONOR IN （CdTe）_m／（ZnTe）_n STRAINED DOUBLE QUANTUM WELL

In this paper the binding energy of the shallow.donor in CdTe/ZnTe strained double quantum well was calculated.The effect of the finite well potential and strain,resulting from the lattice mismatch,on the binding energy of the impurity is included in a variational framework.The binding energy is obtained as a function of the well width,barrier width,and impurity position in the barrier by using a variational method.The result of the present calculation shows that the variational law of the binding energy is similar to that of unstrained materials.

Research progress of traditional Chinese medicine in the treatment of breast cancer based on “Binding of Phlegm and Stasis”

Breast cancer is a common malignancy in female,which seriously endangers women’s health.Chinese medicine believed that the incidence of breast cancer is related to“Stagnation of Liver-Qi”and“Phlegm,Disharmony of Thoroughfare and Conception Vessels”,“Stagnation of Qi and Blood Stasis”,constitution and other characteristics.Modern research believed that phlegm is related to abnormal energy metabolism of tumor cells,and stasis is the pathological change of tumor angiogenesis.How to combine tumor angiogenesis and energy replacement abnormality with the theory of“Binding of Phlegm and Stasis”has become a new direction of traditional Chinese medicine anti-tumor research.The drugs of“Activating Blood Circulation”and“Removing Blood Stasis”,“Resolving Phlegm”and“Dispersing Constipation”have a wide range of pharmacological effects and definite curative effect.They have the functions of anti-inflammatory,anti-tumor,anti-pathogenic microorganism and improving the immune ability of the body.In this paper,the effects and mechanisms of phlegm-reducing and stasis dispersing active ingredients and compound preparations in regulating angiogenesis and energy metabolism of breast cancer were reviewed,and the differences in efficacy,targets and pathways of Phlegm-Reducing and Stasis Dispersing drugs were summarized,so as to provide some reference for the research and development of traditional Chinese medicine for breast cancer.

Functionality of Covalent Organic Framework (COF) in Gas Storage Application: First Principal Study

Industrial growth in recent years led to air pollution and an increase in concentration of hazardous gases such as O3 and NO. Developing new materials is important to detect and reduce air pollutants. While catalytic decomposition and zeolites are traditional ways used to reduce the amount of these gases. We need to develop and explore new promising materials. Covalent organic framework (COF) has become an attractive platform for researcher due to its extended robust covalent bonds, porosity, and crystallinity. In this study, first principal calculations were performed for gases adsorption using COFs containing nitrogen and π-bonds. Different building blocks (BBs) and linkers (LINKs/LINK1 & LINK2) were investigated by means of density functional theory (DFT) calculations with B3LYP and 3-21G basis sets to calculate the binding energies of gases @COF systems. Electrostatic potential maps (ESPM), Mulliken charges and non-covalent interaction (NCI) are used to understand the type of interactions between gas and COFs fragments. O3 was found to bind strongly with COF system in comparison with NO which could make COF a useful selective material for mixed gases environment for sensing and removal application.

Stability of Nuclei Based on the New Proton and Neutron Model

According to the new proton and neutron nuclear picture described earlier, the structure of the nucleus will also be given a new interpretation. The role of the delocalized electrons detached from the outer shell of neutrons is shown in the binding energy value of the nucleus. It is pointed out that the spatial arrangement of nucleons is also very important for the stability of nuclei according to the analyzation of the magic numbers from a geometric point of view.

Tuning the exciton binding energy of covalent organic frameworks for efficient photocatalysis

Owing to the large exciton binding energy(>100 meV)of most organic materials,the process of exciton dissociation into free electrons and holes is seriously hindered,which plays a key role in the photocatalytic system.In this study,a series of chalcogen(S,Se)-substituted mesoporous covalent organic frameworks(COFs)have been synthesized for enhanced photocatalytic organic transformations.Photoelectrochemical measurements indicate that the introduction of semi-metallic Se atom and the enlargement of conjugation degree can not only reduce the exciton binding energy accelerating the charge separation,but also reduce the band gap of COFs.As a result,the COF-NUST-36 with the lowest exciton binding energy(39.5 meV)shows the highest photocatalytic performance for selective oxidation of amines(up to 98%Conv.and 97.5%Sel.).This work provides a feasible method for designing COFs with high photocatalytic activity by adjusting exciton binding energy.

Gravitational Term in Semi Empirical Mass Formula

A new term was added to the well-known semi-empirical mass formula to account for the changes due to gravitational attraction between nucleons in the liquid drop, as well as, accommodates for the necessary corrections in the binding energy of a nucleus. The results of our calculations show a straight forward evidence that the gravitational attraction bears a reasonable contribution to the binding energy. On the other hand, employing the gravitational term in the semi empirical mass formula was led to the calculation of gravitational constant at subnuclear level.