Potential energy surfaces and fission fragment mass yields of even-even superheavy nuclei

Potential energy surfaces and fission barriers of superheavy nuclei are analyzed in a macroscopic-microscopic model. The Lublin-Strasbourg Drop (LSD) model is used to obtain the macroscopic part of the energy, whereas the shell and pairing energy corrections are evaluated using the Yukawa-folded potential; a standard flooding technique is utilized to determine barrier heights. A Fourier shape parametrization containing only three deformation parameters is shown to effectively reproduce the nuclear shapes of nuclei approaching fission. In addition, a non-axial degree of freedom is taken into account to better describe the structure of nuclei around the ground state and in the saddle region. In addition to the symmetric fission valley, a new highly asymmetric fission mode is predicted in most superheavy nuclei. The fission fragment mass distributions of the considered nuclei are obtained by solving 3D Langevin equations.     

飞秒激光中高能质子的产生与加速的研究

为了探索飞秒激光与固体靶相互作用中高能质子的产生和加速机制,在超短超强激光装置“SILEX-I”上进行了飞秒激光与平面固体薄膜Cu靶的相互作用中高能质子空间分布、能谱和产额的实验研究。实验采用固体核径迹探测器CR39和Thomson离子谱仪相结合的方式,在固体靶背表面法线方向测量了质子空间分布、能谱和产额。实验结果表明：质子沿着靶背法线方向发射,质子空间分布呈圆环状,存在一定的立体角;质子在一定能量处出现截断;截断能量的大小与靶厚度有关。经分析,高能离子的产生和加速是多种作用机制共同作用的结果,其中静电场中的TNSA加速机制则占主导地位。     

Synthesis,photophysical and photochemical studies of water soluble cationic zinc phthalocyanine derivatives

Peripherally and non-peripherally 2-diethylaminoethanethiol tetra-substituted zinc phthalocyanine (5a and 6a) and their quaternized derivatives (5b and 6b) have been synthesized and characterized. The quaternized derivatives (5b and 6b) show excellent solubility in aqueous medium. The photophysical and photochemical properties of the 2-diethylaminoethanethiol appended zinc phthalocyanine in dimethylsulfoxide (DMSO) for the non-ionic (5a and 6a) and in both DMSO and aqueous medium (phosphate buffered saline solution PBS, pH 7.4) (in the presence and absence of cremophore EL (CEL)) for the quaternized (5b and 6b) derivatives were studied and compared with that of the peripherally octa-substituted derivatives (7a and 7b). The complexes have intense absorption in the visible/near-IR region though the quaternized forms (5b, 6b and 7b) were slightly blue shifted and highly aggregate in aqueous solution. The triplet state quantum yields (_ΦT${\Phi }_{\text{T}}$) and the triplet lifetimes (_τT${\tau }_{\text{T}}$) were found to be higher in DMSO (_ΦT${\Phi }_{\text{T}}$ values ranged from 0.57 to 0.75 while _τT${\tau }_{\text{T}}$ values ranged from 190 to 220 μs in DMSO for all complexes) compared to aqueous medium (_ΦT${\Phi }_{\text{T}}$ values ranged from 0.15 to 0.17 while _τT${\tau }_{\text{T}}$ values ranged from 20 to 70 μs in pH 7.4 buffer). Addition of cremophore EL in aqueous solution resulted in induced disaggregation leading to increased _ΦT${\Phi }_{\text{T}}$ and _τT${\tau }_{\text{T}}$.     

结构温度场和温度应力场的有限元分析

讨论用有限元分析温度对结构刚度和强度的影响。从热传导问题的基本方程出发，求解稳态和瞬态温度场所用的有限元一般格式，进而在瞬态不均匀温度场状态下，可将其影响转换成相应的等效节点温度载荷。采用一般有限元法可求得计算在此类载荷作用下结构的变形和应力场。本文所列算例结果合理，表明本文推荐的方法适用于工程分析。     

Re-specification of Affine Term Structure Models: The Linkage to Empirical Investigations

Abstract

This paper specifies the dynamic and cross-sectional behaviour of bonds in the framework of the general affine term structure model (ATSM) of Duffie and Kan (1996, A yield-factor model of interest rate. Mathematical Finance, 6, 379–406). We present the calibrations of ATSM, with the numerics fitting in with the actual data under the physical probability measure. Without assumptions and restrictions on any specific physical process of the factors, we find theoretical loads by solving Riccati equations with parameters chosen for the solution to match those from the principal component models. The general condition on the boundary is satisfied; so, the Black-Scholes equation admits a unique solution, which supports the Condition of Duffie and Kan.     

Optimal and feedback strategies for managing multicohort populations

A Beverton and Holt type linear cohort dynamics model is integrated and combined with a nonlinear stock-recruitment relationship to obtain a discrete-time multicohort harvesting model. Assuming that each age class is individually controllable, it is shown, subject to certain assumptions, that the optimal harvesting strategy is to drive the population to the maximum sustainable yield solution in one time step. In most fisheries, this controllability assumption is not met and harvesting is agewise nonselective. In this case, it may be preferable to implement a harvesting policy based on suboptimal constant effort or stock level feedback strategies, rather than implement a more complicated optimal policy. This question is addressed through numerical studies on the management of an anchovy fishery.Dedicated to G. LeitmannThe author would like to thank M. Mangel, W. Reed, P. Sullivan, and G. Swartzman for commenting on a draft of this paper.     

P∩N Bridged Cu(I) Dimers Featuring Both TADF and Phosphorescence. From Overview towards Detailed Case Study of the Excited Singlet and Triplet States

We present an overview over eight brightly luminescent Cu(I) dimers of the type Cu₂X₂(P∩N)₃ with X = Cl, Br, I and P∩N = 2-diphenylphosphino-pyridine (Ph₂Ppy), 2-diphenylphosphino-pyrimidine (Ph₂Ppym), 1-diphenylphosphino-isoquinoline (Ph₂Piqn) including three new crystal structures (Cu₂Br₂(Ph₂Ppy)₃ 1-Br, Cu₂I₂(Ph₂Ppym)₃ 2-I and Cu₂I₂(Ph₂Piqn)₃ 3-I). However, we mainly focus on their photo-luminescence properties. All compounds exhibit combined thermally activated delayed fluorescence (TADF) and phosphorescence at ambient temperature. Emission color, decay time and quantum yield vary over large ranges. For deeper characterization, we select Cu₂I₂(Ph₂Ppy)₃, 1-I, showing a quantum yield of 81%. DFT and SOC-TDDFT calculations provide insight into the electronic structures of the singlet S₁ and triplet T₁ states. Both stem from metal+iodide-to-ligand charge transfer transitions. Evaluation of the emission decay dynamics, measured from 1.2 ≤ T ≤ 300 K, gives ∆E(S₁-T₁) = 380 cm⁻¹ (47 meV), a transition rate of k(S₁→S₀) = 2.25 × 10⁶ s⁻¹ (445 ns), T₁ zero-field splittings, transition rates from the triplet substates and spin-lattice relaxation times. We also discuss the interplay of S₁-TADF and T₁-phosphorescence. The combined emission paths shorten the overall decay time. For OLED applications, utilization of both singlet and triplet harvesting can be highly favorable for improvement of the device performance.     

A Priori Estimation of Organic Reaction Yields

A thermodynamically guided calculation of free energies of substrate and product molecules allows for the estimation of the yields of organic reactions. The non‐ideality of the system and the solvent effects are taken into account through the activity coefficients calculated at the molecular level by perturbed‐chain statistical associating fluid theory (PC‐SAFT). The model is iteratively trained using a diverse set of reactions with yields that have been reported previously. This trained model can then estimate a priori the yields of reactions not included in the training set with an accuracy of ca. ±15 %. This ability has the potential to translate into significant economic savings through the selection and then execution of only those reactions that can proceed in good yields.     

Measurement of atomic L shell fluorescence (ω1, ω2, ω3) and Auger (a1, a2 and a3) yields for some elements in the atomic number range 59≤Z≤85

A comprehensive set of theoretical Coster–Kronig and fluorescence yields are presented for atomic numbers 18≤Z≤100. These quantities are based on ab initio relativistic calculations. Agreement with experimental values is fair for ω₁ and generally good for ω₂, ω₃ (Z≥54) [1]. Therefore, atomic L shell fluorescence (ω₁, ω₂, ω₃) and Auger yields (a₁, a₂ and a₃) for some elements in the atomic number range 59≤Z≤85 were determined. These selected measured semi-empirical values were also fitted by least squares to polynomials in the Z of the form ∑_na_nZⁿ and compared with theoretical and with earlier fitted values.