A New Thermodynamic Calculation Method for Binary Alloys Part II:Exploring the Correction Factor Function

A new method of revising activity values has been derived based on the so called correction factor function for binary alloys with a large difference between two components. The correction factor is a function of physical properties formed by the difference of two components. Its absolute value increases with the enhancement of the difference in the character of components. It can be either positive or negative and the rules for selecting the sign of correction factor have been analyzed. Results are in good agreement with the experimental values.

Constructions of highly nonlinear resilient plateaud functions

The main results in this paper are to construct two classes of plateaued functions with desirable cryptographic properties. By using the Maiorana-McFarland construction, a class of highly nonlinear resilient plateaued functions satisfying the propagation criterion has been obtained. Johansson,s et al＇ s construction is modified slightly to obtain highly nonlinear multi-output resilient plateaued functions.

The State Density Correction Function in Pre-Equilibrium Exciton Model for 44Sc, 96M0, 148Sm and 172yB Nuclei

The particle-hole state density in pre-equilibrium exciton model is required to calculate the cross section in pre-equilibrium nuclear reactions. In order to get a good match between theoretical and experimental data the state density need to be corrected with some corrections. In this work some of the corrections that must be added to the state density have been collected all in an energy dependent correction functionJ~. The effects of adding Pauli Exclusion Principle, bound state, finite depth of the nuclear potential and pairing corrections have been examined to energies up to 100 MeV. The results were obtained using energy dependent single particle level density or the non equi-distant spacing model. Comparisons are made by adding some and full combination of the corrections to get an accurate and convenient choice in pre-equilibrium state density estimations. The results are compared with available experimental （Oslo）, and theoretical （HF-BCS） results. Results have been found matching the previously obtained experimental and theoretical results.

Efficacy of invisible advancement correction for mandibular retraction in adolescents based on Pancherz analysis

BACKGROUND Mandibular retraction is the main etiological mechanism of class II malocclusion in China and the subsequent distal molar relationship can cause functional discomfort in mastication,breathing and the temporomandibular joint.The use of mandibular advancement(MA)devices has recently emerged as an adolescent mandibular retraction treatment;however,current studies regarding the effect thereof are relatively few,and there is lack of sufficient clinical support.AIM To investigate the clinical effect of invisalign MA on the treatment of mandibular retraction in adolescents.METHODS This study included 30 adolescent patients who underwent treatment with the MA appliances from December 2017 to June 2021.The lateral cephalometric data before and after treatment were collected and imported into Dolphin Imaging software.The changes were measured by linear measurement superimposed with lateral cephalometric trajectory based on the Pancherz technology.RESULTS There was no significant difference in the length and position of maxilla before and after the treatment.The position of the mandible moved 3.13 mm,the length increased 4.14 mm,the mandibular ramus length increased 4.09 mm,the body length increased 4.25 mm,and the position of the condyle moved 1.03 mm forward after treatment.Additionally,changes in the incisor sagittal position and labial inclination were observed.The position of the upper incisor point moved back 1.33 mm,without statistical difference,the inclination and tooth angle decreased by 3.44°and 4.06°,respectively;the position of the lower incisor point was moved 2.98 mm,and the inclination and tooth angle increased by 2.62°and 1.23°,respectively.Furthermore,changes in the incisor overjet and molar relationship were seen.Overjet decreased by 4.31 mm,of which 1.78 mm was due to dental factors,accounting for 41.3%of the effect as opposed to 58.7%due to skeletal factors.Molar relationship improved 3.87 mm,with 1.34 mm due to dental factors,and dental and skeletal factors were accounted for 34.6%and 65.4%of the effect,respectively.CONCLUSION For adolescent patients with mandible retraction,invisalign MA can effectively promote the mandible growth,and it was proven to be mainly due to skeletal effects.

An effective method to calculate the electron impact excitation cross sections of helium from ground state to a final channel in the whole energy region

The electron impact excitation(EIE) cross sections of an atom/ion in the whole energy region are needed in many research fields, such as astrophysics studies, inertial confinement fusion researches and so on. In the present work, an effective method to calculate the EIE cross sections of an atom/ion in the whole energy region is presented. We use the EIE cross sections of helium as an illustration example. The optical forbidden 1^(1)S–n^(1)S(n = 2–4) and optical allowed 1^(1)S–n^(1)P(n = 2–4) excitation cross sections are calculated in the whole energy region using the scheme that combines the partial wave R-matrix method and the first Born approximation. The calculated cross sections are in good agreement with the available experimental measurements. Based on these accurate cross sections of our calculation, we find that the ratios between the accurate cross sections and Born cross sections are nearly the same for different excitation final states in the same channel. According to this interesting property, a universal correction function is proposed and given to calculate the accurate EIE cross sections with the same computational efforts of the widely used Born cross sections,which should be very useful in the related application fields. The datasets presented in this paper are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00142.

An automatic seismic signal detection method based on fourth-order statistics and applications

Real-time, automatic, and accurate determination of seismic signals is critical for rapid earthquake reporting and early warning. In this study, we present a correction trigger function（CTF） for automatically detecting regional seismic events and a fourth-order statistics algorithm with the Akaike information criterion（AIC） for determining the direct wave phase, based on the differences, or changes, in energy, frequency, and amplitude of the direct P- or S-waves signal and noise. Simulations suggest for that the proposed fourth-order statistics result in high resolution even for weak signal and noise variations at different amplitude, frequency, and polarization characteristics. To improve the precision of establishing the S-waves onset, first a specific segment of P-wave seismograms is selected and the polarization characteristics of the data are obtained. Second, the S-wave seismograms that contained the specific segment of P-wave seismograms are analyzed by S-wave polarization filtering. Finally, the S-wave phase onset times are estimated. The proposed algorithm was used to analyze regional earthquake data from the Shandong Seismic Network. The results suggest that compared with conventional methods, the proposed algorithm greatly decreased false and missed earthquake triggers, and improved the detection precision of direct P- and S-wave phases.

Distribution of Fe and adsorption of NH_3 in mordenite:a computational study

The distribution of Fe and the adsorption of NH3 in H-[Fe]MOR （mordenite） were investigated using dispersion corrected density functional theory （DFT-D2）.Based on the results,it can be found that the most favorable site for the distribution of Fe is T1O6,followed by T2O5,T4O2 and T3O1,and energy differences for Fe in different T sites are less than 0.09 eV,indicating that Fe atoms may distribute in all kinds of T sites in MOR.In addition,the adsorption energies for NH3 at each crystallographic position of H-[Fe]MOR were also determined.Finally,it can be concluded that the Br（o）nsted acid site at T2O5 is stronger than the other acid sites,and the adsorption of NH3 on Br（o）nsted acid sites is more stable than on Lewis acid sites.

Fuzzy logic control strategy for submerged arc automatic welding of digital controlling

A microcomputer control system based on 80C320 and a switching regulation of wire feeder were designed. A correction factor based double model fuzzy logic controller （FLC） was introduced to achieve welding digital and intellectualized control by means of wire feeding speed feedback. The controller has many functions such as keyboard input, light emitting diode （LED） display and real-time intellectualized control of welding process etc. The controlling performance influenced by the coefficient of correction function was discussed. It was concluded by the experiments the relation between the coefficient of correction function and welding quality, when the coefficient of correction function is great, the dynamic character of controller is better, when the coefficient of correction function is small, the sensitivity character of controller is better. Experimental results also show that digital and fuzzy logic control method enable the improvement of appearance of weld and stability of welding process to be achieved in submerged arc automatic welding.

CHANNEL ERROR CORRECTION FOR WIDEBAND SAR-A JOINT MULTIPLE SUBPULSES PROCESSING METHOD

A novel method,referred to as joint multiple subpulses processing,is developed to calibrate the nonideal transfer function of radio frequency front-end and I/Q imbalance in quadrature modulate/demodulate systems simultaneously,which frequently occur in wideband Synthetic Aperture Radar(SAR) systems.Based on the time-frequency relation of the chirp signal and the analyses of the channel errors in wideband SAR,joint multiple subpulses processing method is adopted to separate the image frequency component due to the I/Q channel error.Then,the complete description of the channel error is acquired for building the correction function,which is used to correct the radar raw echo in frequency domain.The validity and capability of this method are demonstrated by the experiments of the channel error correction on the high resolution SAR system with the effective bandwidth of 500 MHz.

A DFT+U study of the structures and reactivities of polar CeO_2(100) surfaces

Density functional theory calculations corrected by on-site Coulomb interactions were carried out o study the structures of polar CeO2 （100） surfaces as well as activities during catalytic CO oxidation. The stabilities of various CeO2 （100） termination structures are discussed, and calculated energetics are presented. The most stable Ce〇2 （100） surface was obtained by removing half the outermost full layer of oxygen and the surface stability was found to decrease as the exposed oxygen concentration was increased. Assessing the reaction pathways leading to different final products during CO oxidation over the most stable CeO2 （100） surface, we determined that the formation of carbonate species competed with CO2 desorption. However, during CO oxidation on the less stable CeO2 （100） surfaces having more exposed oxygen, the CO is evidently able to react with surface oxygen, leading to CO2 formation and desorption. The calculation results and electronic analyses reported herein also indicate that the characteristic Ce 4/ orbitals are directly involved in deter-mining the surface stabilities and reactivities.

Transport Properties of Si and Ge Liquid Semiconductor Metals

In the present article, we study the electrical resistivity ρ, the thermoelectric power （TEP） α, thermal conductivity σ, Knight-Shifts and temperature coefficient of the Knight-Shifts of the liquid Si and Ge using the well known model potential for the first time. The structure factor used in the present work is derived from the Percus-Yevick （PY） theory. Various local field correction functions are used to study the screening influence. The present results of resistivity are found in qualitative agreement with available experimental and theoretical whenever exists.

Study of Thermodynamics of Liquid Noble-Metals Alloys Through a Pseudopotential Theory

The Gibbs-Bogoliubov （GB） inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential formalism. For description of the structure, well known Percus-Yevick （PY） hard sphere model is used as a reference system. By applying a variation method the best hard core diameters have been found which correspond to minimum free energy. With this procedure the thermodynamic properties such as entropy and heat of mixing have been computed. The influence of local field correction function viz; Hartree （H）, Taylor （T）, lehimaru-Utsumi （IU）, Farid et al. （F）, and Sarkar et al. （S） is also investigated. The computed results of the excess entropy compares favourably in the case of liquid alloys while the agreement with experiment is poor in the case of heats of mixing. This may be due to the sensitivity of the heats of mixing with the potential parameters and the dielectric function.

Electron Dispersion in Liquid Alkali and Their Alloys

Ashcroft＇s local empty core （EMC） model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free electron value for the liquid alkali metals and their equiatomic binary alloys for the first time. In the present computation, the use of pseudo-alloy-atom model （PAA） is proposed and found successful. The influence of the six different forms of the local field correction functions proposed by Hartree （H）, Vashishta Singwi （VS）, Taylor （T）, lehimaru-Utsumi （IU）, Farid et al. （F）, and Sarkar et al. （S） on the aforesaid electronic properties is examined explicitly, which reflects the varying effects of screening. The depth of the negative hump in the electron dispersion of liquid alkalis decreases in the order Li --→ K, except for Rb and Cs, it increases. The results of alloys are in predictive nature.

Binary Star System Decay by Graviton Interaction

The action of gravitons in a binary star system is modelled as the locus of points on an ellipse synchronous to the elliptic orbit of the binary star. In their interaction between the masses in the system the rotational energy of the gravitons is reduced by gravitational redshift, which accounts for the decay of the binary star orbital period. This model is able to fit a broad range of eccentricities of binary pulsar orbits and orbital period decay comparable to the General Relativistic gravitational wave model.

A New Approximation to the Jacobian Logarithm Suitable for MAP Decoding in BICM-ID

In this paper, a new method to approximate the compensation term in the Jacobian logarithm used by the MAP decoder is proposed. Using the proposed approximation, the complex functions In（.） and exp（.） in the Exact-log-MAP algorithm can be estimated with high accuracy and lower computational complexity. The efficacy of the proposed approximation is investigated and demonstrated by applying it to iteratively decoded BICM （Bit Interleaved Coded Modulation）.

Setup and data analysis for functional magnetic resonance imaging of awake cat visual cortex

Functional magnetic resonance imaging（fMRI）is one of the most commonly used methods in cognitive neuroscience on humans.In recent decades,fMRI has also been used in the awake monkey experiments to localize functional brain areas and to compare the functional differences between human and monkey brains.Several procedures and paradigms have been developed to maintain proper head fixation and to perform motion control training.In this study,we extended the application of fMRI to awake cats without training,receiving a flickering checkerboard visual stimulus projected to a screen in front of them in a block-design paradigm.We found that body movement-induced non-rigid motion introduced artifacts into the functional scans,especially those around the eye and neck.To correct for these artifacts,we developed two methods：one for general experimental design,and the other for studies of whether a checkerboard task could be used as a localizer to optimize the motioncorrection parameters.The results demonstrated that,with proper animal fixation and motion correction procedures,it is possible to perform fMRI experiments with untrained awake cats.

Superconvergence of local discontinuous Galerkin methods with generalized alternating fluxes for 1D linear convection-diffusion equations

This paper investigates superconvergence properties of the local discontinuous Galerkin methods with generalized alternating fluxes for one-dimensional linear convection-diffusion equations.By the technique of constructing some special correction functions,we prove the(2k+1)-th-order superconvergence for the cell averages,and the numerical traces in the discrete L^(2) norm.In addition,superconvergence of orders k+2 and k+1 is obtained for the error and its derivative at generalized Radau points.All the theoretical findings are confirmed by numerical experiments.

A study of nonlinear age-structured population models

This paper presents a novel analysis for the solution of nonlinear age-structured prob- lem which is of extreme importance in biological sciences. The presented model is very useful but quite complicated. Modified variational iteration method （MVIM） coupled with auxiliary parameter is used to cope with the complexity of the model which subse- quently shows better results as compared to some existing results available in literature. Furthermore, an appropriate way is used for the identification of auxiliary parameter by means of residual function. Numerical examples are presented for the analysis of the pro- posed algorithm. Graphical results along with the discussions re-confirm the efficiency of proposed algorithm. The work proposes a new algorithm where He＇s polynomials and an auxiliary parameter are merged with correction functional. The suggested scheme is implemented on nonlinear age-structured population models. Graphs are plotted for the residual function that reflects the accuracy and convergence of the presented algorithm.

Photoinduced Charge Transfer Processes of Zinc Porphyrin Derivatives for Dye-sensitized Solar Cells

We studied the excitation energies of zinc porphyrin（ZnP） and zinc porphyrin analogues（ZnP-R） with long-range corrected（LC） density functional theory. We compared three recent LC functionals, wB97XD, CAM-B3LYP, LC-wPBE and functionals B3LYP with the experiments. It was lbund that the low energy excitation is well predicted for ZnP with the LC-wPBE functional based on 6-31G（d） basis set. Excited-state geometry optimiza- tions lbr all the compounds were carried out. It was shown that upon the photo-excitation nearly 1 e transferred to the acceptor unit[dodecafluorosubphthalocyanine, SubPc（F）12] and a highly polarized state formed in compound 5. But after the relaxation of the first excited state, the electron on the acceptor went back to the ZnP a little and then shifted from ZnP to the donor segment[bis（4-hexylphenyl）amino] partially. The computed excited-state radiative lifetime（r） for compound 5 is 943 μs, which shows a reasonable agreement with the experimental observation. According to the long-lived exciton in strong push-pull compound 5, we proposed that electron injection to semiconductor might occur alter vibrational relaxation of excited state.

Vibrational dynamics of Ni-glassy alloys

The well known model potential is used to investigate the vibrational properties of some Ni-based binary glassy alloys using three theoretical models.Different local field correction functions are employed to see the effect of exchange and correlation in the aforesaid properties and have been found successful.