Error estimation,adaptivity and data transfer in enriched plasticity continua to analysis of shear band localization

In this paper, an adaptive FE analysis is presented based on error estimation, adaptive mesh refinement and data transfer for enriched plasticity continua in the modelling of strain localization. As the classical continuum models suffer from pathological mesh-dependence in the strain softening models, the governing equations are regularized by adding rotational degrees-of-freedom to the conventional degrees-of-freedom. Adaptive strategy using element elongation is applied to compute the distribution of required element size using the estimated error distribution. Once a new mesh is generated, state variables and history-dependent variables are mapped from the old finite element mesh to the new one. In order to transfer the history-dependent variables from the old to new mesh, the values of internal variables available at Gauss point are first projected at nodes of old mesh, then the values of the old nodes are transferred to the nodes of new mesh and finally, the values at Gauss points of new elements are determined with respect to nodal values of the new mesh. Finally, the efficiency of the proposed model and computational algorithms is demonstrated by several numerical examples.     

The statement and numerical solution of an optimization problem in X-ray tomography

A nonclassical problem is considered for the transport equation with coefficients depending on the energy of radiation. The task is to find the discontinuity surfaces for the coefficients of the equation from measurements of the radiation flux leaving the medium. For this tomography problem, an optimization problem is stated and numerically analyzed. The latter consists in determining the radiation energy that ensures the best reconstruction of the unknown medium. A simplified optimization problem is solved analytically.     

Controlled/living polymerization of 2‐(diethylamino)ethyl methacrylate and its block copolymer with tert‐butyl methacrylate by atom transfer radical polymerization

Polymerization of 2‐(diethylamino)ethyl methacrylate (DEAEMA) via homogeneous atom transfer radical polymerization under various reaction conditions is described. The effects of the initiators and solvents were examined. With 1,1,4,7,10,10‐hexamethyl triethylenetetramine/copper(I) chloride/p‐toluenesulfonyl chloride as the ligand/catalyst/initiator system in methanol, poly(DEAEMA) with a polydispersity index as low as 1.07 was synthesized. Kinetic studies demonstrated the polymerization was very well controlled and exhibited the living characteristic of the process. Well‐defined block copolymers of DEAEMA and tert‐butyl methacrylate (tBMA) were successfully synthesized. The copolymers could be synthesized with equally good results by starting with either p(DEAEMA) or p(tBMA) as the macroinitiators. However, only the macroinitiators terminated with chlorine should be used. The corresponding macroinitiators with bromine as a transferable group did not yield well‐defined copolymers. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2688–2695, 2003     

Kinetics of proton transfer in a green fluorescent protein: A laser-induced pH jump study

The sub-millisecond protonation dynamics of the chromophore in S65T mutant form of the green fluorescent protein (GFP) was tracked after a rapid pH jump following laser-induced proton release from the caged photolabile compoundo-nitrobenzaldehyde. Following a jump in pH from 8 to 5 (which is achieved within 2 μs), the fluorescence of S65T GFP decreased as a single exponential with a time constant of ∼90 μs. This decay is interpreted as the conversion of the deprotonated fluorescent GFP chromophore to a protonated non-fluorescent species. The protonation kinetics showed dependence on the bulk viscosity of the solvent, and therefore implicates bulk solvent-controlled protein dynamics in the protonation process. The protonation is proposed to be a sequential process involving two steps: (a) proton transfer from solvent to the chromophore, and (b) internal structural rearrangements to stabilize a protonated chromophore. The possible implications of these observations to protein dynamics in general is discussed     

Intercomparison of retrieval codes used for the analysis of high-resolution, ground-based FTIR measurements

A rigorous and systematic intercomparison of codes used for the retrieval of trace gas profiles from high-resolution ground-based solar absorption FTIR measurements is presented for the first time. Spectra were analyzed with the two widely used independent, retrieval codes: SFIT2 and PROFFIT9. Vertical profiles of O₃, HNO₃, HDO, and N₂O were derived from the same set of typical observed spectra. Analysis of O₃ was improved by using updated line parameters. It is shown that profiles and total column amounts are in excellent agreement, when similar constraints are applied, and that the resolution kernel matrices are also consistent. Owing to the limited altitude resolution of ground-based observations, the impact of the constraints on the solution is not negligible. It is shown that the results are also compatible for independently chosen constraints. Perspectives for refined constraints are discussed. It can be concluded that the error budget introduced by the radiative transfer code and the retrieval algorithm on total columns deduced from high-resolution ground-based solar FTIR spectra is below 1%.     

水平管外强化凝结传热的数值解

以Nusselt理论为基础,运用三维坐标建立了肋片侧面的冷凝传热模型,对肋片侧面的冷凝传热机理进行了分析,得出了肋片侧面表面传热系数的积分表达式。利用此法对水平环肋单管表面传热系数进行计算并将结果与传统解法进行比较。     

Electron–hole recombination luminescence in LiYF4:U single crystal

Photoluminescence (PL), photostimulated luminescence (PSL), thermally stimulated luminescence (TSL) and electron paramagnetic resonance (EPR) studies were carried out on LiYF₄:U⁴⁺ and pure LiYF₄ crystals. The PL and EPR investigations have identified the presence of Eu³⁺, Tb³⁺ and Gd³⁺ ions in both of these crystals possibly due to their existence in the starting materials. The luminescence observed during afterglow, PSL and TSL revealed that emission occurs at wavelength positions 382, 413, 437 and 544 nm, which are characteristic of Tb³⁺ ions. The present investigations using PSL and TSL in combination with PL studies before and after gamma irradiation have revealed that selective energy transfer to Tb³⁺ ions occurs during electron–hole recombination processes like PSL and TSL. Even though other luminescent ions (U⁴⁺ and Eu³⁺) are present in the system and U⁴⁺/U³⁺ ions are participating in electron capture/release processes, the selective energy transfer results in Tb³⁺ ions acting as luminescence centers.     

Diphenylmethane transformations over boron trifluoride modified alumina and silica-alumina

Transformations of diphenylmethane were investigated in a flow system in the presence of alumina and silica-alumina modified with boron trifluoride at atmospheric pressure and elevated temperatures. Hydrogen transfer reaction was observed on addition of tetralin to the substrate stream. This revised version was published online in August 2006 with corrections to the Cover Date.