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891.
Positron scattering with atomic lithium is investigated by using a coupled-channel optical method.The ionization continuum and positronium formation channels are taken into account via a complex equivalent-local optical potential.The positronium formation cross sections and the ionization cross sections,as well as the total scattering cross sections,are reported at energies above 3 eV and compared with available experimental and theoretical data. 相似文献
892.
First-principles investigation on the elastic stability and thermodynamic properties of Ti2SC 下载免费PDF全文
Using Vanderbilt-type plane-wave ultrasoft pseudopotentials within the generalized gradient approximation(GGA) in the frame of density functional theory(DFT),we have investigated the crystal structures,elastic,and thermodynamic properties for Ti2SC under high temperature and high pressure.The calculated pressure dependence of the lattice volume is in excellent agreement with the experimental results.The calculated structural parameter of the Ti atom experienced a subtle increase with applied pressures and the increase suspended under higher pressures.The elastic constants calculations demonstrated that the crystal lattice is still stable up to 200 GPa.Investigations on the elastic properties show that the c axis is stiffer than the a axis,which is consistent with the larger longitudinal elastic constants(C 33,C 11) relative to transverse ones(C 44,C 12,C 13).Study on Poisson's ratio confirmed that the higher ionic or weaker covalent contribution in intra-atomic bonding for Ti2SC should be assumed and the nature of ionic increased with pressure.The ratio(B/G) of bulk(B) and shear(G) moduli as well as B/C 44 demonstrated the brittleness of Ti2SC at ambient conditions and the brittleness decreased with pressure.Moreover,the isothermal and adiabatic bulk moduli displayed opposite temperature dependence under different pressures.Again,we observed that the Debye temperature and Gru篓neisen parameter show weak temperature dependence relative to the thermal expansion coefficient,entropy,and heat capacity,from which the pressure effects are clearly seen. 相似文献
893.
Feng Cheng Wei‐Xi Li Chao‐Jiang Xu 《Mathematical Methods in the Applied Sciences》2017,40(14):5161-5176
In this paper, we consider the inviscid limit for the periodic solutions to Navier–Stokes equation in the framework of Gevrey class. It is shown that the lifespan for the solutions to Navier–Stokes equation is independent of viscosity, and that the solutions of the Navier–Stokes equation converge to that of Euler equation in Gevrey class as the viscosity tends to zero. Moreover, the convergence rate in Gevrey class is presented. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献
894.
Convergence analysis for second‐order accurate schemes for the periodic nonlocal Allen‐Cahn and Cahn‐Hilliard equations 下载免费PDF全文
Zhen Guan John Lowengrub Cheng Wang 《Mathematical Methods in the Applied Sciences》2017,40(18):6836-6863
In this paper, we provide a detailed convergence analysis for fully discrete second‐order (in both time and space) numerical schemes for nonlocal Allen‐Cahn and nonlocal Cahn‐Hilliard equations. The unconditional unique solvability and energy stability ensures ? 4 stability. The convergence analysis for the nonlocal Allen‐Cahn equation follows the standard procedure of consistency and stability estimate for the numerical error function. For the nonlocal Cahn‐Hilliard equation, because of the complicated form of the nonlinear term, a careful expansion of its discrete gradient is undertaken, and an H ?1 inner‐product estimate of this nonlinear numerical error is derived to establish convergence. In addition, an a priori bound of the numerical solution at the discrete level is needed in the error estimate. Such a bound can be obtained by performing a higher order consistency analysis by using asymptotic expansions for the numerical solution. Following the technique originally proposed by Strang (eg, 1964), instead of the standard comparison between the exact and numerical solutions, an error estimate between the numerical solution and the constructed approximate solution yields an O (s 3+h 4) convergence in norm, in which s and h denote the time step and spatial mesh sizes, respectively. This in turn leads to the necessary bound under a standard constraint s ≤C h . Here, we also prove convergence of the scheme in the maximum norm under the same constraint. 相似文献
895.
Let \(L_t:=\Delta _t+Z_t\) for a \(C^{\infty }\)-vector field Z on a differentiable manifold M with boundary \(\partial M\), where \(\Delta _t\) is the Laplacian operator, induced by a time dependent metric \(g_t\) differentiable in \(t\in [0,T_\mathrm {c})\). We first establish the derivative formula for the associated reflecting diffusion semigroup generated by \(L_t\). Then, by using parallel displacement and reflection, we construct the couplings for the reflecting \(L_t\)-diffusion processes, which are applied to gradient estimates and Harnack inequalities of the associated heat semigroup. Finally, as applications of the derivative formula, we present a number of equivalent inequalities for a new curvature lower bound and the convexity of the boundary. These inequalities include the gradient estimates, Harnack inequalities, transportation-cost inequalities and other functional inequalities for diffusion semigroups. 相似文献
896.
当前大气气溶胶的成分比较复杂,其水溶性离子成分影响着大气质量,并且对人类健康不利。因此,对水溶性离子成分进行快速可靠的检测是环境科学领域中的一项重要研究工作。以SO24-为例,研究采用傅里叶变换红外光谱(FTIR)技术,对水溶性气溶胶离子的消光系数进行测量,并通过理论分析计算得到其复折射率N的过程。通过测量大气气溶胶水溶性SO24-离子的质量消光截面k和消光系数α,再根据消光系数α来计算复折射率N的虚部ni,使用KK(Kramers-Kronig)关系,来计算复折射率N的实部nr,并对实验结果进行了分析和讨论。 相似文献
897.
制备了一种新型多孔聚丙烯酸/十六烷基三甲基溴化铵聚吡咯凝胶电解质,并将其应用于柔性基染料敏化太阳电池(DSSC)。通过扫描电镜表征、热重分析测试、电化学性能测试和柔性电池光电性能测试等手段,分析了凝胶电解质对柔性基DSSC的光电性能影响。研究结果表明:随着聚吡咯的引入,提高凝胶电解质导电性以及催化电解质中的I-/I3-离子电对等性能,最终在100mW/cm2[大气质量(AM)1.5]光照条件下,测得基于该准固态凝胶电解质的柔性基DSSC光电转换效率达1.28%。 相似文献
898.
Jiaguo Huang Yan Lyu Jingchao Li Penghui Cheng Yuyan Jiang Kanyi Pu 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(49):17960-17968
Despite its high morbidity and mortality, contrast‐induced acute kidney injury (CIAKI) remains a diagnostic dilemma because it relies on in vitro detection of insensitive late‐stage blood and urinary biomarkers. We report the synthesis of an activatable duplex reporter (ADR) for real‐time in vivo imaging of CIAKI. ADR is equipped with chemiluminescence and near‐infrared fluorescence (NIRF) signaling channels that can be activated by oxidative stress (superoxide anion, O2.?) and lysosomal damage (N‐acetyl‐β‐d ‐glucosaminidase, NAG), respectively. By virtue of its high renal clearance efficiency (80 % injected doses after 24 h injection), ADR detects sequential upregulation of O2.? and NAG in the kidneys of living mice prior to a significant decrease in glomerular filtration rate (GFR) and tissue damage in the course of CIAKI. ADR outperforms the typical clinical assays and detects CIAKI at least 8 h (NIRF) and up to 16 h (chemiluminescence) earlier. 相似文献
899.
Ganoderma mushrooms are widely used as effective medicines for treating and preventing chronic diseases. In this study, five new meroterpenoids, dayaolingzhiols A (1) and B (2) featuring a 6/6/6 ring system, dayaolingzhiols C?E (3–5) harboring a γ-lactone motif, along with eight known ones (6–13), were purified from G. lucidum. To clarify their chemical structures, spectroscopic and ECD and OR computational methods were used. In addition, the inhibition of all the new meroterpenoids against AChE was evaluated, disclosing that (+)-4 and (±)-5 possess potent AChE inhibitory activities with respective IC50 values of 8.52?±?1.90?μM and 7.37?±?0.52?μM. 相似文献
900.
Hang Xu Chun‐Shuai Cao Han‐Shi Hu Shi‐Bin Wang Jin‐Cheng Liu Peng Cheng Nikolas Kaltsoyannis Jun Li Bin Zhao 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(18):6083-6088
Assembled from [Th48Ni6] nanocages, the first transition‐metal (TM)‐thorium metal–organic framework (MOF, 1 ) has been synthesized and structurally characterized. 1 exhibits high solvent and acid/base stability, and resistance to 400 kGy β irradiation. Notably, 1 captures ReO4? (an analogue of radioactive 99TcO4?, a key species in nuclear wastes) with a maximum capacity of 807 mg g?1, falling among the largest values known to date. Furthermore, 1 can enrich methylene blue (MB) and can also serve as an effective and recyclable catalyst for CO2 fixation with epoxides; there is no significant loss of catalytic activity after 10 cycles. Theoretical studies with nucleus‐independent chemical shifts and natural bond orbital analysis reveal that the [Th6O8] clusters in 1 have a unique stable electronic structure with (d–p)π aromaticity, partially rationalising 1 ′s stability. 相似文献