Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of Au_3Cu-type sublattice system

Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that the Gibbs energy function of an alloy phase should be derived from Gibbs energy partition function constructed of alloy gene sequence and their Gibbs energy sequence. Second, the six rules for establishing alloy gene Gibbs energy partition function have been discovered, and it has been specially proved that the probabilities of structure units occupied at the Gibbs energy levels in the degeneracy factor for calculating configuration entropy should be degenerated as ones of component atoms occupied at the lattice points. Third, the main characteristics unexpected by today’s researchers are as follows. There exists a single-phase boundary curve without two-phase region coexisting by the ordered and disordered phases. The composition and temperature of the top point on the phase-boundary curve are far away from those of the critical point of the Au3Cu compound; At 0 K, the composition of the lowest point on the composition-dependent Gibbs energy curve is notably deviated from that of the Au3Cu compounds. The theoretical limit composition range of long range ordered Au3Cu-type alloys is determined by the first jumping order degree.

Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system

Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound.

Energy partitioning and evapotranspiration in a black locust plantation on the Yellow River Delta,China

Plantations of woody tree species play a crucial role in ecological security along coastal zones.Understanding energy partitioning and evapotranspiration can reveal land–atmosphere interaction processes.We investigated energy fluxes,evapotranspiration,and their related biophysical factors using eddy covariance techniques in a black locust(Robinia pseudoacacia L.)plantation in 2016,2018,and 2019 on the Yellow River Delta.Downward longwave radiation offsets 84–85%of upward longwave radiation;upward shortwave radiation accounted for 12–13%of downward shortwave radiation.The ratio of net radiation to downward radiation was 18–19%over the three years.During the growing season,latent heat flux was the largest component of net radiation;during the dormant season,the sensible heat flux was the dominant component of net radiation.The seasonal variation in daily evapotranspiration was mainly controlled by net radiation,air temperature,vapor pressure deficit,and leaf area index.Black locust phenology influenced daily evapotranspiration variations,and evapotranspiration was greater under sea winds than under land winds because soil water content at 10-cm depth was greater under sea winds during the day.Seasonal patterns of daily evaporative fraction,Bowen ratio,crop coefficient,Priestley–Taylor coefficient,surface conductance,and decoupling coefficient were mainly controlled by leaf area index.The threshold value of daily surface conductance was approximately 8 mm sover the plantation.

Changes in Surface Energy Partitioning in China over the Past Three Decades

Surface energy balance and the partitioning of sensible heat flux(SHF) and latent heat flux(LHF) play key roles in land–atmosphere feedback. However,the lack of long-term observations of surface energy fluxes,not to mention spatially extensive ones,limits our understanding of how the surface energy distribution has responded to a warming climate over recent decades(1979–2009) at the national scale in China. Using four state-of-the-art reanalysis products with long-term surface energy outputs,we identified robust changes in surface energy partitioning,defined by the Bowen ratio(BR = SHF/LHF),over different climate regimes in China. Over the past three decades,the net radiation showed an increasing trend over almost the whole of China. The increase in available radiative energy flux,however,was balanced by differential partitioning of surface turbulent fluxes,determined by local hydrological conditions. In semi-arid areas,such as Northeast China,the radiative energy was transferred largely into SHF. A severe deficiency in near-surface and soil moistures led to a significant decreasing trend in LHF. The combined effect of increased SHF and decreased LHF resulted in significant upward trends in the BR and surface warming over Northeast China. In contrast,in the wet monsoon regions,such as southern China,increased downward net radiation favored a rise in LHF rather than in SHF,leading to a significant decreasing trend in the BR. Meanwhile,the increased LHF partly cancelled out the surface warming. The warming trend in southern China was smaller than that in Northeast China. In addition to impacts on heat-related events,the changes in the BR also reflected recent cases of extreme drought in China. Our results indicate that information regarding the BR may be valuable for drought monitoring,especially in regions prone to such conditions.

Energy partition in laser-induced cavitation bubbles near the rigid wall with a gas-containing hole

To investigate the energy partition in laser-induced cavitation bubbles near the rigid wall with a gas-containing hole,we utilized a nanosecond resolution photography system based on a Q-switched Nd:YAG laser and conventional industrial camera to carefully observe the transient process of bubble collapse near the rigid wall with a gas-containing hole.We analyzed the generation of collapse microjets and the emission of collapse shock waves.We found that the cavitation bubble near the rigid wall with a gas-containing hole collapsed at different times and space,and produced various types of shock waves.Based on the far field pressure information of the shock waves measured by hydrophone,the energy of the shock waves generated by the bubble collapse near the rigid wall with a gas-containing hole is calculated for the first time.The results show that the ratio of collapse shock wave energy to bubble energy is approximately between 0.7 and 0.8.

Investigation on the potential barrier to internal rotation in molecules——Ab initio calculation and energy partition of the internal rotation barrier in complex molecule H_3N-BH_3

Based on the ab initio/6-31Gcalculation, the potential barrier to internal rotation in mol-ecule HN--BHhas been studed by means of PD/LSF atomic charge model and Buckingham（exp--6-1）energy partition method. The results indicate that the order of the contributions of the componentsto the total energy barrier △E is |△V|（electrostatic） >|△V| （charge transfer）>|△V| （exchangerepulsion）>|△V| （dispersion）. For △Vthere are maxima at θ= 30°and 90°, and a saddle atθ= 60°. There are good linear relationships for the total barrier △E, △Vand △Vwith cos3θrespectively, and the same for the dipole moment from PD/LSF model (μ) and that from abinitio calculation (μ) vs. cos3θ respectively.

Dependence of impact regime boundaries on the initial temperatures of projectiles and targets

Towards higher impact velocities,ballistic events are increasingly determined by the material temperatures.Related effects might range from moderate thermal softening to full phase transition.In particular,it is of great interest to quantify the conditions for incipient or full melting of metals during impact interactions,which result in a transition from still strength-affected to hydrodynamic material behavior.In this work,we investigate to which extent the respective melting thresholds are also dependent on the initial,and generally elevated,temperatures of projectiles and targets before impact.This is studied through the application of a model developed recently by the authors to characterize the transition regime between high-velocity and hypervelocity impact,for which the melting thresholds of materials were used as the defining quantities.The obtained results are expected to be of general interest for ballistic application cases where projectiles or targets are preheated.Such conditions might result,for example,from aerodynamic forces acting onto a projectile during atmospheric flight,explosive shapedcharge-jet formation or armor exposure to environmental conditions.The performed analyses also broaden the scientific understanding of the relevance of temperature in penetration events,generally known since the 1960s,but often not considered thoroughly in impact studies.

Effects of projectile parameters on the momentum transfer and projectile melting during hypervelocity impact

The effects of projectile/target impedance matching and projectile shape on energy,momentum transfer and projectile melting during collisions are investigated by numerical simulation.By comparing the computation results with the experimental results,the correctness of the calculation and the statistical method of momentum transfer coefficient is verified.Different shapes of aluminum,copper and heavy tungsten alloy projectiles striking aluminum,basalt,and pumice target for impacts up to 10 km/s are simulated.The influence mechanism of the shape of the projectile and projectile/target density on the momentum transfer was obtained.With an increase in projectile density and length-diameter ratio,the energy transfer time between the projectile and targets is prolonged.The projectile decelerates slowly,resulting in a larger cratering depth.The energy consumed by the projectile in the excavation stage increased,resulting in lower mass-velocity of ejecta and momentum transfer coefficient.The numerical simulation results demonstrated that for different projectile/target combinations,the higher the wave impedance of the projectile,the higher the initial phase transition velocity and the smaller the mass of phase transition.The results can provide theoretical guidance for kinetic impactor design and material selection.

Seasonal Changes of Energy Fluxes in an Estuarine Wetland of Shanghai,China

The energy budget and regulating factors were investigated over an estuarine wetland during one year of continuous measurement in 2006.The results show that the seasonal changes of the energy fluxes and Bowen ratio(β) were greatly affected by incoming shortwave radiation and canopy growth.During the non-growing season and early-growing season, sensible heat(H) dominated the energy flux, and β could reach a maximum of 2.5, while during most of the growing season, latent heat dominated the energy flux and β fluctuated from 0.4 to 1.0.The energy budget ratio in growing season was about 0.76, and the value would be higher if heat exchange during tidal flooding was in-cluded.During tidal flooding days, β was slightly higher than that at exposure days in most cases.Vegetation cover seems exert little effect on energy partitioning except in March when the standing dead grass intercepted the incoming radiation that might reach the soil surface and reduce the turbulence between soil and atmosphere, thus suppressing the evaporation from the soil though the soil mositure was high at that time.

Product Vibrational State Distributions of F+CH_(3)OH Reaction on Full-Dimensional Accurate Potential Energy Surface

The hydrogen abstraction reaction of methanol with fluorine atoms can produce HF and CH_(3)O or CH_(2)OH radicals,which are important in the environment,combustion,radiation,and interstellar chemistry.In this work,the dynamics of this typical reaction is investigated by the quasi-classical trajectory method based on a recently developed globally accurate full-dimensional potential energy surface.Particularly,the vibrational state distributions of the polyatomic products CH_(3)O and CH_(2)OH are determined by using the normal mode analysis method.It is found that CH_(3)O and CH_(2)OH are dominantly populated in the ground state when the reactants are at the ground ro-vibrational state.The OH stretching mode,torsional mode,H_(2)CO out-of-plane bending mode and their combination bands in the CH_(2)OH product can be effectively excited once the OH stretching mode of the reactant CH_(3)OH is excited to the first vibrationally excited state.Most of the available energy flows into the HF vibrational energy and the translational energy in both channels,while the radical products,CH_(3)O or CH_(2)OH,receive a small amount of energy,consistent with experiment,which is an indication of its spectator nature.

Substituent Effect on N-Benzylideneanilines by DFT Energy Partition

To investigate the substituent effect on x-electron delocalization of the N-benzylideneaniline （NBA）, the vertical resonance energies △E^V（θ） of eleven substituted NBAs were separated into n and a parts at the B3LYP/6-311G（d） level of the Density Functional Theory （DFT）. When substituted with an electron-releasing group --OH, the calculated △E^V（θ） of NBA was increased, indicative of more resonance destabilization than the mother molecule. However, when substituted with an electron-withdrawing group -NO2, the calculated △E^V（θ） values indicated less resonance destabilization. The most destabilizing effect was observed especially when the -OH group located at the ortho-position of the aromatic ring in the fragment -N=CH-Ar. For most of the substituted NBA molecules, it was the destabilized a framework that determined the destabilizing feature of the vertical resonance energy, instead of the stabilized n system. When the -NO2 substituent at the para-position of the aromatic ring of the -N=CH-Ar group, the π system had the highest stabilizing effect while the σ framework exhibited the highest destabilizing effect. While the -NO2 substituent was at the para-position of the left aromatic ring （At-）, the NBA had the least vertical resonance energy value.

Systematical Study on Photodissociation Dynamics of BrCN from 225 nm to 260 nm

The photodissociation dynamics of Br-C bond cleavage for BrCN in the wavelength region from 225 nm to 260 nm has been studied by our homebuilt time-slice velocity-map imaging setup.The images for both of the ground state Br(^(2)P_(3/2))and spin-orbit excited Br^(*)(^(2)P_(1/2))channels are obtained at several photodissociation wavelengths.From the analysis of the translational energy release spectra,the detailed vibrational and rotational distributions of CN products have been measured for both of the Br and Br^(*) channels.It is found that the internal excitation of the CN products for the Br^(*) channel is colder than that for the Br channel.The most populated vibrational levels of the CN products are v=0 and 1 for the Br and Br^(*) channels,respectively.For the Br channel,the photodissociation dynamics at longer wavelengths are found to be different from those at shorter wavelengths,as revealed by their dramatically different vibrational and rotational excitations of the CN products.

Effects of changes in precipitation on energy and water balance in a Eurasian meadow steppe

Introduction:Water such as precipitation is the most critical environment driver of ecosystem processes and functions in semi-arid regions.Frequency and intensity of drought and transient waterlogging are expected to increase in the meadow steppe in northeastern China.Using a 4-year dataset of eddy covariance flux measurements,ground measurements of biomass,phenology,and meteorological conditions,we investigated the changes in energy fluxes at multiple temporal scales and under different precipitation regimes.Results:The meadow steppe was latent heat(LE)dominated when soil water content was>0.3 m3 m−3,but switched to sensible heat(H)dominated status when soil water content fell below 0.3 m3 m−3.LE dominated the energy exchange of the meadow grasslands on a yearly basis.Intensive precipitation had a profound impact on water-energy balance that could reduce the damages of drought by elevating deep soil moisture.The influence of LE on waterlogging depended on timing,with increased LE at the beginning of growing season and decreased LE after waterlogging.Spring and summer droughts resulted in different energy partitioning between latent and sensible heat energies,with spring drought dramatically decreased the LE fraction due to the change in water.In contrast,summer drought had little impact on LE due to the sufficient water input from large precipitation events at the beginning of the growing season.Conclusions:There existed great seasonal and interannual variabilities in energy balance and partitioning in the meadow steppe over the 4-year study period,which were strongly influenced by changes in precipitation.The water loss through latent heat was more sensitive to spring drought than to summer drought,while summer drought had negligible impact on LE.Waterlogging contributed to LE by enhancing its values during and after the waterlogged periods at the beginning of the growing season in a dry year,but lowering its value after the waterlogged periods in growing season.

High-resolution photofragment translational spectro- scopy for the UV photodissociation of C_2H_5I

The photodissociation of ethyl iodide at 279.71, 281.73, 304.02 and 304.67 nm has been studied on our new mini-photofragment translational spectrometer with a total flight path of only 5 cm. Some vibra-tional peaks are firstly resolved in the TOF spectra of I*(2P1/2) and I(2P3/2) channels. These vibrational peaks are assigned to the excitation states (ν2 = 0, 1, 2,…) of the umbrella mode (ν2, 540 cm-1) of the photofragment C2H5, and the distribution of the vibrational states is obtained. The dissociation energy has been determined to be D0(C-I)=2.314 ± 0.03 eV. The energy partitioning of the available energy (Eavl=ET+Eint=ET+EV,R) calculated from our experimental data E int /E avl= 22.1% at 281.73 nm, 22.4% at 304.02 nm for the I* channel, and E int /E avl= 25.2% at 279.71 nm, 25.9% at 304.67 nm for the I channel, seem to be more reliable.

Calculation of prompt fission neutron spectrum for ^(233)U(n,f) reaction by the semi-empirical method

The prompt fission neutron spectra for the neutron-induced fission of 233U for low energy neutrons （below 6 MeV） are calculated using nuclear evaporation theory with a semi-empirical method, in which the partition of the total excitation energy between the fission fragments for the nth＋233U fission reactions is determined by the available experimental and evaluation data. The calculated prompt fission neutron spectra agree well with the experimental data. The proportions of high-energy neutrons of prompt fission neutron spectrum versus incident neutron energies are investigated with the theoretical spectra, and the results are consistent with the systematics. The semi-empirical method could be a useful tool for the prompt evaluation of fission neutron spectra.

Research on the prompt neutron multiplicity of fission fragments for ^(235)U(n,f)

According to some experimental and evaluated data,the total excitation energy partitioning way between both of the fission fragments was given with a semi-empirical method. With the calculated energy partitioning way,the prompt neutron multiplicity as a function of fragment mass,（A） ,for neutron-induced fission of 235U at En=0.0253 eV,3 MeV,and 5 MeV was calculated. The results are checked with the total average prompt neutron multiplicities and compared with the experimental and evaluated data.

Prompt neutron multiplicity distribution for ^(235)U(n,f) at incident energies up to 20 MeV

For the n＋235U fission reaction, the total excitation energy partition of the fission fragments, the average neutron kinetic energy ε （A） and the total average energies Eˉγ（A） removed by γ rays as a function of fission fragment mass are given at incident energies up to 20 MeV. The prompt neutron multiplicity as a function of the fragment mass, ν（A）, for neutron-induced fission of 235U at different incident neutron energies is calculated. The calculated results are checked with the total average prompt neutron multiplicities νˉ and compared with the experimental and evaluated data. Some prompt neutron and γ emission mechanisms are discussed.

The Reflection of Magneto-Thermoelastic P and SV Waves at a Solid Half Space Using Dual-Phase-Lag Model

The dual-phase-lag heat transfer model is employed to study the reflection phenomena of P and SV waves from a surface of a semi-infinite magnetothermoelastic solid.The ratios of reflection coefficients to that of incident coefficients are obtained for P-and SV-wave cases.The results for partition of the energy for various values of the angle of incidence are computed numerically under the stress-free and rigidly fixed thermally insulated boundaries.The reflection coefficients are depending on the angle of incidence,magnetic field,phase lags and other material constants.Results show that the sum of energy ratios is unity at the interface.The results are discussed and depicted graphically.