L—shell absorption measurement and simulation of x—ray—heated constrained material

Using the newly-designed multi-layered target, we obtain a homogeneous Al sample plasma at high density, low electron temperature, and in near local thermodynamic equilibrium. L-shell resonance absorption lines of Li-like and Be-like ions, as well as satellites are clearly observed. Transition arrays such as 2s－3p, 2s²－2s3p and 2s2p－2p3p are identified. We present the calculation method based on the unresolved transition array model, and we compare the measured transmission spectrum with the calculated results. The electron temperature of the constrained sample plasma is determined to be 34eV with a variation of ±2eV.     

Variational Calculations of Neutral Bound Excitons in GaAs Quantum-Well Wires

The binding energy of an exciton bound to a neutral donor (D^0, X) in GaAs quantum-well wires is calculated variationally as a function of the wire width for different positions of the impurity inside the wire by using a two-parameter wavefunction. There is no artificial parameter added in our calculation. The results we have obtained show that the binding energies are closely correlated to the sizes of the wire, the impurity position, and also that their magnitudes are greater than those in the two-dimensional quantum wells compared. In addition, we also calculate the average interparticle distance as a function of the wire width. The results are discussed in detail.     

Density Dependence of the Mass and Decay Constant of Pion in Nuclear Matter in the Dyson-Schwinger Equation Approach of QCD

With the Dyson-Schwinger equation formalism at finite chemical potential, we study the density dependence of the mass and decay constant of pion in nuclear matter. The calculated results indicate that both the mass and the decay constant remain almost constant at small chemical potential. As the chemical potential gets quite large, the decay constant increases and the mass decreases with the increasing of the chemical potential, and both of them vanish suddenly as a critical value is reached.     

Theoretical study of overstretching DNA–RNA hybrid duplex

DNA–RNA hybrid(DRH) plays important roles in many biological processes. Here, we use a thermodynamic theory to analyze the free energy and unpeeling properties of the overstretching transition for the DRH molecule and compare the results with double-helix DNA. We report that the RNA strand of DRH is easier to get unpeeled than the DNA strand while the difficulty in unpeeling the double helix DNA lies in between. We also investigate the sequence effect, such as GC content and purine content, on the properties of unpeeling the DRH. Further, to study the temperature effect, the forcetemperature phase diagram of DRH and DNA are calculated and compared. Finally, using a kinetic model, we calculate the force–extension curves in the DRH stretching and relaxation process under different pulling rates and temperatures. Our results show that both pulling rate and temperature have important influences on the stretching and relaxation kinetics of unpeeling the DRH. Putting all these results together, our work provides a comprehensive view of both the thermodynamics and kinetics in DRH overstretching.     

Theoretical Calculations for Structural, Elastic and Thermodynamic Properties of γTiAl Under High Pressure

We investigate the structural and elastic properties of γTiAl under high pressures using the norm-conserving pseudopotentials within the local density approximation （LDA） in the frame of density functional theory. The calculated pressure dependence of the elastic constants is in excellent agreement with the experimental results. The elastic constants and anisotropy as a function of applied pressure are presented. Through the quasi-harmonic Debye model, we also investigate the thermodynamic properties of γTiAl.     

Theoretical Calculation of Energy Spectrum of YGG：Cr^3＋ and Thermal Shifts of Its R-Lines

With the strong-field scheme and trigonal bases, the complete d3 energy matrix in a trigonally distorted cubic-field has been constructed. By diagonalizing this matrix, the energy spectrum of YGG：Cr^3＋ at normal pressure and low temperature has been calculated. The g factor of the ground-state has been evaluated in terms of the energy spectrum. At the same time, by using the wavefunctions obtained from diagonalizing the complete d^3 energy matrix and Thermal Shifts theory, we calculate the thermal shifts of the sharp lines of YGG：Cr^3＋ and determine the relevant parameters. The calculated results are all in good agreement with the optical-spectrum and EPR experimental data. It is demonstrated that the obtained wavefunctions and the values of parameters are reasonable.     

Relativistic Continuum Random Phase Approximation and Applications II. Applications

The fully consistent relativistic continuum random phase approximation （RCRPA） has been constructed in the momentum representation in the first part of this paper. In this part we describe the numerical details for solving the Bethe-Salpeter equation. The numerical results are checked by the inverse energy weighted sum rules in the isoscalar giant monopole resonance, which are obtained from the constraint relativistic mean field theory and also calculated with the integration of the RCRPA strengths. Good agreement between them is achieved. We study the effects of the self-consistency violation, particularly the currents and Coulomb interaction to various collective multipole excitations. Using the fully consistent RCRPA method, we investigate the properties of isoscalar and isovector collective multipole excitations for some stable and exotic from light to heavy nuclei. The properties of the resonances, such as the centroid energies and strength distributions are compared with the experimental data as well as with results calculated in other models.     

Adhesion elastic contact and hysteresis effect

In this paper, we study the relationship between the pull-off force and the transition parameter (or Tabor number) as well as the variation of the pull-off radius with the transition parameter in the adhesion elastic contact. Hysteresis models are presented to describe the contact radius as a function of external loads in loading and unloading processes. Among these models, we verified the hysteresis model from Johnson－Kendall－Roberts theory, based on which the calculated results are in good agreement with experimental ones.     

Effect of Physical Parameters on Shape Instability of Sonoluminescing Bubbles

Considering the vapour effects, we calculate the shape instability of single-bubble sonoluminescence （SBSL） in the phase diagram of the amplitude of driving pressure versus ambient radius, i.e. the pa - R0 diagram. The numerical calculation shows that the results calculated by the present model are reliable, even some parameters, such as the binary diffusion constant and the thermal conductivity of the mixture of argon and water vapour inside the bubble, are roughly evaluated. It is found by numerical calculation that the shape stable area of a single argon bubble in those viscous liquids with low vapour pressure, such as oil of vitriol, glycerol and 1,2- propanediol, can be extended to a wider region. Combining with the calculation of the maximum temperature inside the bubble, we may predict that these areas are probably the stable region of SBSL.     

Relativistic Configuration Interaction Calculations on Kα X-Ray Satellites of Manganese

With contributions from Breit interaction, quantum electrodynarnics （QED） corrections and nuclear mass corrections to the initial and final levels are taken into account. The transition energies, transition probabilities, and absorption oscillator strengths of Kα x-ray from Mn XVII to Mn XXIV have been calculated by using relativistic configuration interaction （RCI） and multi-configuration Dirac Fock （MCDF） method in the active interaction approach. Compared with the only available experimental transition data on He-like and Li-like manganese, the present results are in good agreement with them, and the rest of transition data of the present results are new ones. These wide range data can provide useful parameters for the study of the manganese plasma.     

Magnetization studies of amorphous antiferromagnetism in manganese phosphate glass

The magnetization of amorphous antiferromagnetic manganese phosphate glass has been studied as a function of manganese concentration, temperature, and magnetic field. The experimental results are interpreted using a two spin model of amorphous antiferromagnetism where the probability of a given exchange interaction is calculated using crystalline Mn₂P₂O₇ as a structural model.     

Defect energetics and range of homogeneity of α-MnS

Sulphur pressure measurements between 10^?12 and 20 atm as a function of temperature (873–1364 K) and composition were performed on α-MnS samples. From the results and literature data on optical and electrical properties a quantitative defect structure model is derived. In the range investigated the deviation from stoiehiometry is caused by the formation of twice negatively charged manganese vacancies and, at high sulphur pressures, effectively neutral interstitial sulphur atoms (perhaps present as S″₂ on S″ sites). At low sulphur fugacities thermal generation of “holes” and “electrons” is important. These are both localized on manganese sites as Mn³⁺ and Mn¹⁺ ions, respectively. The boundary of the homogeneity range of α-MnS towards elemental sulphur is calculated from the model.     

Mn3<Emphasis Type="Italic">s</Emphasis> X-ray photoelectron spectra of polynuclear trimethylacetate complexes of manganese

The Mn3s X-ray photoelectron spectra of manganese at oms in mono-, bi-, tri-, and hexanuclear trimethylacetate Mn complexes and Mn^IICl₂, Mn^IIIOOH, Mn^IVO₂. ionic compounds were measured. The 3s spectra of the manganese atoms in Mn^II, Mn^III, and Mn^IV valent states were calculated within the isolatedion approximation. The relationship between the characteristics of the Mn3s spectra and the magnetic moments of the manganese ions in the complexes is discussed.     

Photoinduced magnetism caused by charge-transfer excitations in tetracyanoethylene-based organic magnets

The photoinduced magnetism in Mn-tetracyanoethylene (TCNE) molecule-based magnets is ascribed to charge-transfer excitations from manganese to TCNE. Charge-transfer energies are calculated using density functional theory; photoinduced magnetization is described using a model Hamiltonian based on a double-exchange mechanism. Photoexciting electrons from the manganese core spins into the lowest unoccupied orbital of TCNE with photon energies around 3 eV increase the magnetization through a reduction of the canting angle of the manganese core spins for an average electron density on TCNE less than one. When photoexciting with a smaller energy, divalent TCNE molecules are formed. The delocalization of the excited electron causes a local spin flip of a manganese core spin.     

Raman and infrared characterization of gadolinium-doped manganese sulfide

Gadolinium manganese sulfide solid solutions are investigated by infrared and Raman spectroscopy. Longitudinal optical–transverse optical splitting of the manganese–sulfur bond vibration is observed in the vibrational spectra. The Raman spectra contain modes that are prohibited in the crystal structure of the alpha phase of manganese sulfide, which are associated with activation of the phonons from both the Brillouin zone center and its X and L points. The concentration dependence of transverse optical and longitudinal optical modes’ frequencies is calculated within the frame of the modified random-element-isodisplacement model, being in good agreement with the experimental results. Both theory and experiment show that the solid solution under study exhibits a “one-mode” behavior.     

Manganese-enhanced magnetic resonance microscopy of mineralization

Paramagnetic manganese (II) can be employed as a calcium surrogate to sensitize magnetic resonance microscopy (MRM) to the processing of calcium during bone formation. At high doses, osteoblasts can take up sufficient quantities of manganese, resulting in marked changes in water proton T(1), T(2) and magnetization transfer ratio values compared to those for untreated cells. Accordingly, inductively coupled plasma mass spectrometry (ICP-MS) results confirm that the manganese content of treated cell pellets was 10-fold higher than that for untreated cell pellets. To establish that manganese is processed like calcium and deposited as bone, calvaria from the skull of embryonic chicks were grown in culture medium supplemented with 1 mM MnCl(2) and 3 mM CaCl(2). A banding pattern of high and low T(2) values, consistent with mineral deposits with high and low levels of manganese, was observed radiating from the calvarial ridge. The results of ICP-MS studies confirm that manganese-treated calvaria take up increasing amounts of manganese with time in culture. Finally, elemental mapping studies with electron probe microanalysis confirmed local variations in the manganese content of bone newly deposited on the calvarial surface. This is the first reported use of manganese-enhanced MRM to study the process whereby calcium is taken up by osteoblasts cells and deposited as bone.     

基于激光诱导击穿光谱技术对钢中Mn和Cr元素的定量分析

采用激光诱导击穿光谱分析技术对钢样中锰、铬两种微量元素的含量进行了测量.实验研究发现,最优取样的延迟时间为2.0μs,最佳激光光束聚焦位置和光谱收集探头分别位于样品表面以下3.5mm和表面以上1.5mm处.以Mn Ⅰ:403.07 nm和Cr Ⅰ:427.48 nm作为分析线,分别采用传统定量分析和内定标的方法对钢样中...     

Ingested manganese chloride as a contrast agent for magnetic resonance imaging

Solutions of manganese chloride were force-fed to Sprague-Dawley rats. Magnetic resonance (MR) imaging was performed on (a) syringes containing different concentrations of manganese chloride, (b) rats after force feeding and (c) livers excised after sacrifice of the force-fed rats. Imaging was done with a 0.15-T resistive magnet. Multiple pulse sequences were used and T1 values were calculated. The signal intensity and T1 value obtained from a solution depended on the manganese concentration and the pulse sequence employed. At higher concentrations, no signal was produced due to extreme T2 shortening. Absorbed manganese affected the signal intensities and T1 values of the rats' livers. By appropriate selection of manganese concentration and pulse sequence, ingested manganese can serve as a combined gastrointestinal and hepatic MR contrast agent.     

Structure and M?ssbauer studies of manganese monosulfide solid solutions MxMn1 ? xS (M = Cr, Fe)

This paper reports on the results of the synthesis and study of the diffraction patterns and M?ssbauer spectra of single crystals of homogeneous M xMn_{1 − x} S solid solutions with a cubic NaCl structure prepared by the cation substitution of 3d elements for divalent manganese ions in manganese monosulfide. It has been shown that, similarly to the hydrostatic pressure, the substitution of 3d ions with a smaller ionic radius is accompanied by the contraction of the MnS cubic cell. The calculated lattice parameters agree with the experimental data. The homogeneous region of the formation of homogeneous solid solutions is limited in composition x, which depends on the choice of a substitutional cation.