Propagation of a pre-existing turbulent fluid fracture

The propagation of rough and smooth wall pre-existing turbulent fluid fractures is investigated. The laminar fluid fracture is included as a special case for comparison. Lubrication theory is assumed to apply in the fracture and turbulence is introduced through the wall shear stress. The Perkins–Kern–Nordgren approximation is made in which the fluid pressure is proportional to the half-width of the fracture. The fracture half-width satisfies a non-linear diffusion equation. By using a linear combination of the Lie point symmetries of the non-linear diffusion equation a group invariant solution for the fracture length, volume and half-width is derived. The evolution of the length, half-width and mean flow velocity is analysed for a range of working conditions at the fracture entry. It is found that the mean flow velocity increases approximately linearly along the fracture.     

One-dimensional ventsel-freidlin theory and its analogue for singular perturbations of degenerate diffusions

We make some remarks about deriving the large deviations estimates for the Ventsel-Freidlin perturbed system and adapt these methods to derive similar results for singular perturbations of degenerate one-dimensional diffusions where β and ω are independent Brownian motions. This corresponds to a singular perturbation of the degenerate second-order operator     

Temperature Dependence of 1H Paramagnetic Chemical Shifts in Actinide Complexes,Beyond Bleaney's Theory: The AnVIO22+–Dipicolinic Acid Complexes (An=Np,Pu) as an Example

Actinide +VI complexes ( = , and ) with dipicolinic acid derivatives were synthesized and characterized by powder XRD, SQUID magnetometry and NMR spectroscopy. In addition, and complexes were described by first principles CAS based and two-component spin-restricted DFT methods. The analysis of the ¹H paramagnetic NMR chemical shifts for all protons of the ligands according to the X-rays structures shows that the Fermi contact contribution is negligible in agreement with spin density determined by unrestricted DFT. The magnetic susceptibility tensor is determined by combining SQUID, pNMR shifts and Evans’ method. The SO-RASPT2 results fit well the experimental magnetic susceptibility and pNMR chemical shifts. The role of the counterions in the solid phase is pointed out; their presence impacts the magnetic properties of the complex. The temperature dependence of the pNMR chemical shifts has a strong contribution, contrarily to Bleaney's theory for lanthanide complexes. The fitting of the temperature dependence of the pNMR chemical shifts and SQUID magnetic susceptibility by a two-Kramers-doublet model for the complex and a non-Kramers-doublet model for the complex allows for the experimental evaluation of energy gaps and magnetic moments of the paramagnetic center.     

Generalized nets in neurology: an example of mathematical modelling

The purpose of this paper is to explain the basic theory of generalized nets (GNs) and their applications in the context of the differential diagnosis of neurological diseases. We define formally the concepts of a GN and transitions of a GN and also outline some remarks on their theory. The work here constructs an example which aims to trace the process of diagnosing different signs and symptoms in neurology. This will enable the interested reader to see the scope of nets in general as tools for the modelling, simulation, optimization and control of real processes.     

基于递推规范变量分析的时变过程故障检测

由于规范变量分析(CVA)不适应过程的时变特性,容易把正常的过程改变识别为故障.因此,针对时变过程提出一种故障检测方法是十分必要的.采用指数权重滑动平均来更新过去观测矢量的协方差矩阵.递推CVA有较高的计算负荷是需要解决的关键问题.通过引入一阶干扰理论来递推更新Hankel矩阵的奇异值分解(SVD).与普通奇异值分解相比,显著降低了递推算法的计算负荷.将提出的基于一阶干扰理论的递推规范变量分析(RCVA-FOP)应用于田纳西伊斯曼化工过程中.仿真结果表明,所提出方法不仅能有效适应过程的时变特性,而且可以有效检测到两种类型的故障.     

Binary hairy nanoparticles: Recent progress in theory and simulations

Binary polymer brushes, including mixed homopolymer brushes and diblock copolymer brushes, are an attractive class of environmentally responsive nanostructured materials. Owing to microphase separation of the two chemically distinct components in the brush, multifaceted nanomaterials with functionalized and patterned surfaces can be obtained. This review summarizes recent progress on the theory and simulations related to binary polymer brushes grafted to flat, spherical, and cylindrical substrates, with a focus on patterned morphologies of multifaceted hairy nanoparticles, an intriguing class of hybrid nanostructured particles (e.g., nanospheres and nanorods). In particular, powerful field theory and particle-based simulations suitable for revealing novel structures on these patterned surfaces, including self-consistent field theory and dissipative particle dynamics simulations, are emphasized. The unsolved yet critical issues in this research field, such as dynamic response of binary polymer brushes to environmental stimuli and the hierarchical self-assembly of binary hairy nanoparticles, are briefly discussed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014 , 52, 1583–1599     

Observation of untoward 3Jcc correlations in 1,1‐ADEQUATE spectra of pyrimidine analogs: Avoiding potential interpretation pitfalls

Recently, it has been reported that large ⁿJ_CC correlations can sometimes be observed in 1,1‐ADEQUATE spectra with significant intensity, which opens the possibility of structural misassignment. In this work, we have focused on pyrimidine‐based compounds, which exhibit multiple bond correlations in the 1,1‐ADEQUATE experiment as a consequence of ³J_CC coupling constants greater than 10 Hz. Results are supported by both the experimental measurement of ³J_CC coupling constants in question using J‐modulated‐ADEQUATE and density functional theory calculations.     

Growth characteristics of spherical titanium oxide nanoparticles during the rapid gaseous detonation reaction

The nanosize grain growth characteristics of spherical single-crystal titanium oxide (TiO₂) during the rapid gaseous detonation reaction are discussed. Based on the experimental conditions and the Chapman–Jouguet theory, the Kruis model was introduced to simulate the growth characteristics of spherical TiO₂ nanoparticles obtained under high pressure, high temperature and by rapid reaction. The results show that the numerical analysis can satisfactorily predict the growth characteristics of spherical TiO₂ nanoparticles with diameters of 15–300 nm at different affecting factors, such as concentration of particles, reaction temperature and time, which are in agreement with the obtained experimental results. We found that the increase of the gas-phase reaction temperature, time, and particle concentration affects the growth tendency of spherical nanocrystal TiO₂, which provides effective theoretical support for the controllable synthesis of multi-scale nanoparticles.     

Exact solution of functionally graded thick cylinder with finite length under longitudinally non-uniform pressure

Elastic analysis of a functionally graded thick-walled cylindrical pressure vessel is analytically studied in the present research. Gradation is considered for all mechanical properties along the thickness direction based on a power function. The constitutive relations are developed in the general cylindrical coordinate system for an axisymmetric pressurized cylinder. For simulation of these two deformation components, first order shear deformation theory is considered. The FG cylinder is subjected to longitudinally non-uniform pressure along the length of the cylinder. The present problem is applicable for simulation of non-uniform pressurized cylinder by fluids or gases.