Microscopic Effective Charges and the B(E2) Values of Terminating States in Mirror Nuclei (51)～Mn and (51)～Fe

The microscopic effective charges in mirror nuclei 51Mn and 51Fe are investigated with the particle-vibration coupling model based on the self-consistent Skyrme-Hartree-Fock and continuum random-phase-approximation approaches. The isovector parts are predicted to be around 0.15, and the proton effective charges are around 1.25 e, which is less than the empirical value of epff p = 1.5 e. The microscopic effective charges in neutron rich 51Mn are about 10% less than its proton rich mirror. These effective charges are combined with the shell model to calculate the reduced electric quadrupole transition probability B（E2） values in 51Mn and 51Fe. It turns out that the microscopic effective charges have well reproduced the B（E2） values and its ratio in the terminating states.

Measurement and analyses of the mean effective ion charge in the centre of tokamak discharges

There are two different definitions for specifying the mean effective ion charge Zeff in plasmas： a） from the Spizer electrical resistivity of the plasma and b） from bremsstrahlung radiation losses of the plasma. In this paper Zeff in the centre of tokamak ohmic discharges has been determined from information on sawtooth-relaxations of the steady state plasma, based on the analysis for the power balance of the plasma electrons in the plasma centre during the period of recovery after the sawtooth crashes. This method is found to supply reliable results for tokamak parameters. While its application requires some efforts in data analysis, it can provide a reliable determination of Zeff, independent of the information from bremsstrahlung radiation losses of the plasma.

Space Charges Effect of Static Induction Transistor

The space charge effect (SCE) of static induction transistor (SIT) that occurs in high current region is systematically studied.The I V equations are deduced and well agree with experimental results.Two kinds of barriers are presented in SIT,corresponding to channel voltage barrier control (CVBC) mechanism and space charge limited control (SCLC) mechanism respectively.With the increase of drain voltage,the gradual transferring of operational mechanism from CVBC to SCLC is demonstrated.It points out that CVBC mechanism and its contest relationship with space charge barrier makes the SIT distinctly differentiated from JFET and triode devices,etc.The contest relationship of the two potential barriers also results in three different working regions,which are distinctly marked and analyzed.Furthermore,the extreme importance of grid voltage on SCE is illustrated.

Quantitative lithium substitution of carboxyl hydrogens in polyacrylic acid binder enables robust SiO electrodes with durable lithium storage stability

The design of advanced binders plays a critical role in stabilizing the cycling performance of large-volume-effect silicon monoxide(SiO)anodes.For the classic polyacrylic acid(PAA)binder,the self-association of-COOH groups in PAA leads to the formation of intramolecular and intermolecular hydrogen bonds,greatly weakening the bonding force of the binder to SiO surface.However,strengthening the binder-material interaction from the perspective of binder molecular regulation poses a significant challenge.Herein,a modified PAA-Li_(x)(0.25≤x≤1)binder with prominent mechanical properties and adhesion strength is specifically synthesized for SiO anodes by quantitatively substituting the carboxylic hydrogen with lithium.The appropriate lithium substitution(x=0.25)not only effectively increases the number of hydrogen bonds between the PAA binder and SiO surface owing to charge repulsion effect between ions,but also guarantees moderate entanglement between PAA-Li_x molecular chains through the ion-dipole interaction.As such,the PAA-Li_(0.25)/SiO electrode exhibits exceptional mechanical properties and the lowest volume change,as well as the optimum cycling(1237.3 mA h g^(-1)after 100cycles at 0.1 C)and rate performance(1000.6 mA h g^(-1)at 1 C),significantly outperforming the electrode using pristine PAA binder.This work paves the way for quantitative regulation of binders at the molecular level.

The electronic structures, Born effective charge tensors,and phonon properties of cubic, tetragonal,orthorhombic, and rhombohedral K_(0.5)Na_(0.5)NbO_3: A first-principles comparative study

The electronic structures, Born effective charges（BECs）, and full phonon dispersions of cubic, tetragonal, orthorhombic, and rhombohedral K0.5Na0.5Nb O3 are investigated by the first principles method based on density functional theory.The hybridized states of Nb 4d and O 2p states are observed in the valence band, showing the formation of a strong Nb–O covalent bond which should be responsible for the displacement of Nb and O atoms. The abnormally large BECs of Nb and O indicate the possibility of phase instability induced by the off-center displacement of Nb and O atoms. The phonon dispersions reveal that the ferroelectric instability of K0.5Na0.5Nb O3 is dominated by Nb and O displacements with significant Na characteristics. In addition to the ferroelectric instability, there is also rotational instability coming from the oxygen octahedra rotation around one axis. Moreover, the Γ phonon properties of orthorhombic KNb O3, Na Nb O3, and K0.5Na0.5Nb O3 are also studied in detail.

Investigation of Electronic, Elastic and Dynamic Properties of AgNbO3 and AgTaO3 under Pressure: Ab Initio Calculation

Based on the density functional theory within the local density approximation (LDA), we studied the electronic, elastic, and dynamic properties of AgNbO3 and AgTaO3 compounds under pressure. The elastic constants, optic and static dielectric constants, born effective charges, and dynamic properties of AgNbO3 and AgTaO3 in cubic phase were studied as pressure dependences with the ab initio method. For these compounds, we have also calculated the bulk modulus, Young’s modulus, shear modulus, Vickers hardness, Poisson’s ratio, anisotropy factor, sound velocities, and Debye temperature from the obtained elastic constants. In addition, the brittleness and ductility properties of these compounds were estimated from Poisson’s ratio and Pugh’s rule (G/B). Our calculated values also show that AgNbO3 (0.37) and AgTaO3 (0.39) behave as ductile materials and steer away from brittleness by increasing pressure. The calculated values of Vicker hardness for both compounds indicate that they are soft materials. The results show that band gaps, elastic constants, elastic modules, and dynamic properties for both compounds are sensitive to pressure changes. We have also made some comparisons with related experimental and theoretical data that is available in the literature.

Infrared active phonon modes and ionicity of single crystal MgAl2O4

Near-normal incident infrared reflectivity spectra of （100） MgAl2O4 spinel single crystal have been measured at different temperatures in the frequency region between 50 and 6000 cm^-1. Eight infrared-active phonon modes are identified, which are fitted with the factorized form of the dielectric function. The dielectric property and optical conductivity of the MgAl2O4 crystal are analysed. From TO/LO splitting, the effective Szigeti charges and Born effective charges at different temperatures are calculated for studying the ionicity and the effect of polarization. Based on the relationship between the （LO-TO）1 splitting, which represents the transverse and longitudinal frequencies splitting of the highest energy phonon band in the reflectivity spectrum, and the ionic-covalent parameter, the four main phonon modes are assigned. MgA1204 can be considered as a pure ionic crystal and its optical characters do not change with decreasing temperature, so it may be used as a suitable substrate for high-Tc superconducting thin films.

Lattice Dynamics at Zone-Center of Sulphide and Selenide Spinels

A rigid-ion model is used to calculate the force constants and effective dynamical charges of sulphide and selenide spinels. The Raman and infrared phonon modes of normal cubic sulphide spinels MCr2S4 （M = Mn, Co, Fe, Hg, Zn, and Cd） and selenide spinels MCr2Se4 （M = Hg, Zn, and Cd） are calculated at the first Brillouin zone-centre using above model, The significant outcome of the present work is （i） the interatomic interaction between Cr-S （Se） dominates over the Cr-S（Se） and S-S（Se-Se） type of interatomic interactions, （ii） the effective dynamical charges of the bivalent metal ions are nearly zero, and （iii） the selenide spinels are less ionic than the sulphide spinels and the ionicity decreases as MnCr2S4 〉 FeCr2S4 〉 CoCr2S4 〉 and CdOr2C4 〉 ZnCr2C4 〉 HgCr2C4 （C = S and Se）. The zone-center phonon frequencies, calculated using these parameters, are found to be in very good agreement with the observed results.

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.

Quadrupole-Linear Ion Trap Tandem Mass Spectrometry System for Clinical Biomarker Analysis

The accurate and efficient measurement of small molecule disease markers for clinical diagnosis is of great importance.In this study,a quadrupole-linear ion trap(Q-LIT)tandem mass spectrometer was designed and built in our laboratory.Target precursor ions were first selected in the quadrupole,and then injected,trapped,and fragmented simultaneously in the linear ion trap(LIT)to reduce the space charge effect,enrich the target product ions,and promote sensitivity.The targeted analytes were measured with selected reaction monitoring using a positive scan mode with electrospray ionization(ESI).Ions with a mass-to-charge ratio(m/z)ranging from 195 to 2022 were demonstrated.When scanning at 1218amu.s^(-1),unit resolution and an accuracy of higher than m/z 0.28 was obtained for m/z up to 2000.The dimensionless Mathieu parameter(q)value used in this study was 0.40 for collision-induced dissociation(CID),which was activated by resonance excitation.And an overall CID efficiency of 64%was achieved(activation time,50 ms).Guanidinoacetic acid(GAA)and creatine(CRE)were used as model compounds for small molecule clinical biomarkers.The limits of quantification were 1.0 and 0.2 nmol.L^(-1)for GAA and CRE,respectively.A total of 77 actual samples were successfully analyzed by the home-built ESI-Q-LIT tandem mass spectrometry system.The developed method can reduce matrix interference,minimize space charge effects,and avoid the chromatographic separation of complex samples to simplify the pretreatment process.This novel Q-LIT system is expected to be a good candidate for the determination of biomarkers in clinical diagnosis and therapeutics.

Ion stopping in dense plasmas: A basic physics approach

We survey quite extensively the present research status of ion-stopping in dense plasmas of potential importance for initial confinement fusion(ICF)drivenby intense and heavy ion beams,and alsofor warm dense matter(WDM).First,we putemphasis on every possible mechanism involved in the shaping of the ion projectile effective charge,while losing energy in a target plasma with classical ions and partially degenerate electrons.Then,we switch to ion stopping by target bound electrons,taking detailed account of mean excitation energies.Free electron stopping has already been given a lot of attention in former works[C.Deutsch et al.,Recent Res.Devel.Plasma 1(2000)1-23;Open Plasma Phys.J.3(2010)88-115].Then,we extend the usual standard stopping model(SSM)framework to nonlinear stopping including a treatment of the Z 3 Barkas effect and a confronting comparison of Bloch and Bohr Coulomb logarithms.Finally,we document low velocity ion slowing down(LVISD)in single ion plasmas as well as in binary ionic mixtures(BIM),in connection with specific ICF fuels.

Temperature dependence of the P-hit single event transient pulse width in a three-transistor inverter chain

A comparison of the temperature dependence of the P-hit single event transient （SET） in a two-transistor （2T） inverter with that in a three-transistor （3T） inverter is carried out based on a three-dimensional numerical simulation. Due to the significantly distinct mechanisms of the single event change collection in the 2T and the 3T inverters, the temperature plays different roles in the SET production and propagation. The SET pulse will be significantly broadened in the 2T inverter chain while will be compressed in the 3T inverter chain as temperature increases. The investigation provides a new insight into the SET mitigation under the extreme environment, where both the high temperature and the single event effects should be considered. The 3T inverter layout structure （or similar layout structures） will be a better solution for spaceborne integrated circuit design for extreme environments.

Physical design and cooling test of C-band standing wave accelerating tube

The physical design and cooling test of a C-band 2MeV standing wave （SW） accelerating tube are described in this paper. The designed accelerating structure consists of 3-cell buncher and 4-cell accelerating section with a total length of about 163mm, excited with 1MW magnetron. Dynamic simulation presents that about 150mA beam pulse current and 30% capture efficiency can be achieved. By means of nonlinear Gauss fit on electron transverse distribution, the diameter of beam spot FWHM （full width at half maximum of density distribution） is about 0.55mm. Cooling test results of the accelerating tube show that frequencies of cavities are tuned to 5527MHz and the field distribution of bunching section is about 3：9：10.

Design of Electrostatic Focusing for Space Electron Beam Welding Gun

The developmental situation of space welding technology at home and abroad is introduced. Then it is put forward that the designing scheme and the computer aided design （CAD） method of main single lens of the domestic space electron beam gun with equal-diameter three-cylinder simple lens, and the flowing-pipe way of calculating the space charge density of the main lens area ,in the electron gun is analyzed. The parameters calculation of the focusing system is completed through Language C utilizing computer programming and a satisfying result is gotten. The result shows that the calculation and design method are correct ： the dispersed focusing current of electron beam is less, the beam section is less in the deflected magnetic field, the minimal radius of beam spot on the workpiece is about 0.65615mm, and all these can meet the requirements of the space welding and cutting.

Oxygen Functionalization-Induced Charging Effect on Boron Active Sites for High-Yield Electrocatalytic NH_(3) Production

Ammonia has been recognized as the future renewable energy fuel because of its wide-ranging applications in H_(2) storage and transportation sector.In order to avoid the environmentally hazardous Haber-Bosch process,recently,the third-generation ambient ammonia synthesis has drawn phenom-enal attention and thus tremendous efforts are devoted to developing efficient electrocatalysts that would circumvent the bottlenecks of the electrochemical nitrogen reduction reaction(NRR)like competitive hydrogen evolution reac-tion,poor selectivity of N_(2) on catalyst surface.Herein,we report the synthesis of an oxygen-functionalized boron carbonitride matrix via a two-step pyrolysis technique.The conductive BNCO(1000)architecture,the compatibility of B-2p_(z) orbital with the N-2p_(z) orbital and the charging effect over B due to the C and O edge-atoms in a pentagon altogether facilitate N_(2) adsorption on the B edge-active sites.The optimum electrolyte acidity with 0.1 M HCl and the lowered anion crowding effect aid the protonation steps of NRR via an associative alternating pathway,which gives a sufficiently high yield of ammonia(211.5μg h^(−1) mg_(cat)^(−1))on the optimized BNCO(1000)catalyst with a Faradaic efficiency of 34.7%at−0.1 V vs RHE.This work thus offers a cost-effective electrode material and provides a contemporary idea about reinforcing the charging effect over the secured active sites for NRR by selectively choosing the electrolyte anions and functionalizing the active edges of the BNCO(1000)catalyst.

Dynamic characteristics of charging effects on the dielectric constant due to E-beam irradiation:a numerical simulation

A series of synthetic variations of material intrinsic properties always come with charging phenomena due to electron beam irradiation.The effects of charging on the dielectric constant will influence the charging dynamic in return.In this paper,we propose a numerical simulation for investigating the dynamic characteristics of charging effects on the dielectric constant due to electron beam irradiation.The scattering process between electrons and atoms is calculated considering elastic and inelastic collisions via the Rutherford model and the fast secondary electron model,respectively.Internal charge drift due to E-field,density gradient caused diffusion,charges trap by material defect,free electron and hole neutralization,and variation in the internal dielectric constant are considered when simulating the transport process.The dynamics of electron and hole distributions and charging states are demonstrated during E-beam irradiation.As a function of material nonlinear susceptibility and primary energy,the dynamics of charging states and dielectric constants are then presented in the charging process.It is found that the variation in the internal dielectric constant is more with respect to the depth and irradiation time.Material with a larger nonlinear susceptibility corresponds a faster charging enhancement.In addition,the effective dielectric constant and the surface potential have a linear relationship in the charging balance.Nevertheless,with shrinking charging affect range,the situation with a higher energy primary electron comes with less dielectric constant variation.The proposed numerical simulation mode of the charging process and the results presented in this study offer a comprehensive insight into the complicated charging phenomena in electron irradiation related fields.

Mitigating Deep Dielectric Charging Effects at the Orbits of Jovian Planets

Deep dielectric charging/discharging,caused by high energy electrons,is an important consideration in electronic devices used in space environments because it can lead to spacecraft anomalies and failures.The Jovian planets,including Saturn,Uranus,Neptune and Jupiter’s moons,are believed to have robust electron radiation belts at relativistic energies.In particular,Jupiter is thought to have caused at least 42 internal electrostatic discharge events during the Voyager 1 flyby.With the development of deep space exploration,there is an increased focus on the deep dielectric charging effects in the orbits of Jovian planets.In this paper,GEANT4,a Monte Carlo toolkit,and radiation-induced conductivity(RIC)are used to calculate deep dielectric charging effects for Jovian planets.The results are compared with the criteria for preventing deep dielectric charging effects in Earth orbit.The findings show that effective criteria used in Earth orbit are not always appropriate for preventing deep dielectric charging effects in Jovian orbits.Generally,Io,Europa,Saturn(R_S=6),Uranus(L=4.73)and Ganymede missions should have a thicker shield or higher dielectric conductivity,while Neptune(L=7.4)and Callisto missions can have a thinner shield thickness or a lower dielectric conductivity.Moreover,dielectrics grounded with double metal layers and thinner dielectrics can also decrease the likelihood of discharges.

Defect-rich Mg-Al MMOs supported TEPA with enhanced charge transfer for highly efficient and stable direct air capture

Due to the advantages of low energy consumption and high CO_(2) selectivity, the development of solid amine-based materials has been regarded as a hot research topic in the field of DAC for the past decades.The adsorption capacity and stability over multiple cycles have been the top priorities for evaluation of practical application value. Herein, we synthesized a novel DAC material by loading TEPA onto defect-rich Mg_(0.55)Al-O MMOs with enhanced charge transfer effect. The optimal Mg_(0.55)Al-O-TEPA67% demonstrates the highest CO_(2)uptake of(3.0 mmol g^(-1)) and excellent regenerability, maintaining ~90% of the initial adsorption amount after 80 adsorption/desorption cycles. The in situ DRIFTS experiments suggested the formation of bicarbonate species under wet conditions. DFT calculations indicated that the stronger bonding between Mg_(0.55)Al-O support and solid amine was caused by the abundance of oxygen defects on MMOs confirmed by XPS and ESR, which favors the charge transfer between the support and amine,resulting in intense interaction and excellent regenerability. This work for the first time conducted comprehensive and systematic investigation on the stabilization mechanism for MMOs supported solid amine adsorbents with highest uptake and superior cyclic stability in depth, which is different from the most popular SiO_(2)-support, thus providing facile strategy and comprehensive theoretical mechanism support for future research about DAC materials.

Effects of a liquid lithium curtain as the first wall in a fusion reactor plasma

This paper explores the effect of a liquid lithium curtain on fusion reactor plasma, such curtain is utilized as the first wall for the engineering outline design of the Fusion Experimental Breeder （FEB-E）. The relationships between the surface temperature of a liquid lithium curtain and the effective plasma charge, fuel dilution and fusion power production have been derived. Results indicate that under normal operation, the evaporation of liquid lithium does not seriously affect the effective plasma charge, but effects on fuel dilution and fusion power are more sensitive. As an example, it has investigated the relationships between the liquid lithium curtain flow velocity and the rise of surface temperature based on operation scenario II of the FEB-E design with reversed shear configuration and high power density. Results show that even if the liquid lithium curtain flow velocity is as low as 0.5 m/s, the effects of evaporation from the liquid lithium curtain on plasma are negligible. In the present design, the sputtering of liquid lithium curtain and the particle removal effects of the divertor are not yet considered in detail. Further studies are in progress, and in this work implication of lithium erosion and divertor physics on fusion reactor operation are discussed.

Effects of Thickness on the Electrical Conductivity of Sputtered YSZ Film with Nanocrystalline Columnar Microstructure

In order to investigate the effect of the thickness on the electrical conductivity of yttriastabilized zirconia(YSZ) film, the nanocrystalline columnar-structured YSZ film with thickness of 0.67-2.52 μm was prepared by magnetron sputtering through controlling the deposition time. All the sputtered films with different thicknesses consist of the main phase of cubic YSZ as well as a small amount of monoclinic YSZ. The thicker films exhibit a typical columnar grain structure based on the fractured cross-sectional SEM observations. The average diameters of columnar grains increase from about 40 nm to 100 nm with the film thickness from 0.67 μm to 2.52 μm according to TEM analysis. The thinnest YSZ film with 0.67 μm thickness shows the highest apparent electrical conductivity in the four films in 400-800 ℃ due to the contribution from the highly conductive film/substrate interfacial region. On the other hand, the real electrical conductivities of YSZ films increase with film thickness from 0.67 μm to 2.52 μm after eliminating the contribution of the film/substrate interface. The increasing film thickness leads to the grain growth as well as the decrement in the volumetric fraction of the resistive columnar grain boundary and a consequent higher real electrical conductivity.