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1.
The present paper reports the dislocation unpinning model of acoustic emission (AE) from alkali halide crystals. Equations
are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number
of AE pulse emitted. It is found that the AE pulse rate should be maximum for a particular strain of the crystals. The peak
value of the AE pulse rate should depend on the volume and strain rate of the crystals, and also on the pinning time of dislocations.
Since the pinning time of dislocations decreases with increasing strain rate, the AE pulse rate should be weakly dependent
on the strain rate of the crystals. The total number of AE should increase linearly with deformation and then it should attain
a saturation value for the large deformation. By measuring the strain dependence of the AE pulse rate at a fixed strain rate,
the time constantτ
s for surface annihilation of dislocations and the pinning timeτ
p of the dislocations can be determined. A good agreement is found between the theoretical and experimental results related
to the AE from alkali halide crystals. 相似文献
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Kritika Keshari Moumita Bera Lucía Velasco Sandip Munshi Geetika Gupta Dooshaye Moonshiram Sayantan Paria 《Chemical science》2021,12(12):4418
A terminal FeIIIOH complex, [FeIII(L)(OH)]2− (1), has been synthesized and structurally characterized (H4L = 1,2-bis(2-hydroxy-2-methylpropanamido)benzene). The oxidation reaction of 1 with one equiv. of tris(4-bromophenyl)ammoniumyl hexachloroantimonate (TBAH) or ceric ammonium nitrate (CAN) in acetonitrile at −45 °C results in the formation of a FeIIIOH ligand radical complex, [FeIII(L˙)(OH)]− (2), which is hereby characterized by UV-visible, 1H nuclear magnetic resonance, electron paramagnetic resonance, and X-ray absorption spectroscopy techniques. The reaction of 2 with a triphenylcarbon radical further gives triphenylmethanol and mimics the so-called oxygen rebound step of Cpd II of cytochrome P450. Furthermore, the reaction of 2 was explored with different 4-substituted-2,6-di-tert-butylphenols. Based on kinetic analysis, a hydrogen atom transfer (HAT) mechanism has been established. A pKa value of 19.3 and a BDFE value of 78.2 kcal/mol have been estimated for complex 2.One-electron oxidation of an FeIII–OH complex (1) results in the formation of a FeIII–OH ligand radical complex (2). Its reaction with (C6H5)3C˙ results in the formation of (C6H5)3COH, which is a functional mimic of compound II of cytochrome P450. 相似文献
4.
Vaghela SS Jethva AD Gohil MS Subbarayappa A Gour PM Susarla VS Gadde R Ghosh PK 《Annali di chimica》2003,93(9-10):841-848
A textile dye effluent containing chiefly reactive azo dyes has been treated electrochemically for discoloration and COD (chemical oxygen demand) reduction at different current densities, flow rates and dilution. Experiments have been carried out in a thin electrochemical reactor under single pass conditions using a dimensionally stable catalytic anode (DSA) and a stainless steel cathode. 相似文献
5.
Dawid Kedracki Sergey K. Filippov Nidhi Gour Helmut Schlaad Corinne Nardin 《Macromolecular rapid communications》2015,36(8):768-773
Conjugation of a hydrophobic poly(2‐oxazoline) bearing tertiary amide groups along its backbone with a short single stranded nucleotide sequence results in an amphiphilic comb/graft copolymer, which organizes in fibrils upon direct dissolution in water. Supported by circular dichroism, atomic force microscopy, transmission electron microscopy, and scattering data, fibrils are formed through inter‐ and intramolecular hydrogen bonding between hydrogen accepting amide groups along the polymer backbone and hydrogen donating nucleic acid grafts leading to the formation of hollow tubes.
6.
The high pressure phase transition and elastic behavior of rare earth monoselenides (CeSe, EuSe and LaSe) which crystallize
in a NaCl-structure have been investigated using the three body interaction potential (TBIP) approach. These interactions
arise due to the electronshell deformation of the overlapping ions in crystals. The TBP model consists of a long range Coulomb,
three body interactions and the short range overlap repulsive forces operative up to the second neighboring ions. The authors
of this paper estimated the values of the phase transition pressure and the associated volume collapse to be closer than other
calculations. Thus, the TBIP approach also promises to predict the phase transition pressure and pressure variations of elastic
constants of lanthanide compounds.
相似文献
7.
Direct conversion of alkyl trimethylsilyl ethers to carbonyl compounds is accomplished using PFC in dichloromethane at room temperature. For a similar oxidation of t-butyldimethylsilyl ethers the PCC-n-Bu4NF combination may be employed. 相似文献
8.
Hari Ji Singh Bhupesh Kumar Mishra Nand Kishor Gour 《Theoretical chemistry accounts》2010,125(1-2):57-64
The unimolecular decomposition reaction of CF3CCl2O radical has been investigated using theoretical methods. Two most important channels of decomposition occurring via C–C bond scission and Cl elimination have been considered during the present investigation. Ab initio quantum mechanical calculations are performed to get optimized structure and vibrational frequencies at DFT and MP2 levels of theory. Energetics are further refined by the application of a modified Gaussian-2 method, G2M(CC,MP2). The thermal rate constants for the decomposition reactions involved are evaluated using Canonical Transition State Theory (CTST) utilizing the ab initio data. Rate constants for C–C bond scission and Cl elimination are found to be 6.7 × 106 and 1.1 × 108 s?1, respectively, at 298 K and 1 atm pressure with an energy barrier of 8.6 and 6.5 kcal/mol, respectively. These values suggest that Cl elimination is the dominant process during the decomposition of the CF3CCl2O radical. Transition states are searched on the potential energy surface of the decomposition reactions involved and are characterized by the existence of only one imaginary frequency (NIMAG = 1) during frequency calculation. The existence of transition states on the corresponding potential energy surface is further ascertained by performing intrinsic reaction coordinate (IRC) calculation. 相似文献
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Ritu Agarwal Sunil D. Purohit Kritika 《Mathematical Methods in the Applied Sciences》2019,42(18):7160-7171
In calcium signalling, activation of receptor is a very significant aspect. To understand the mechanism of calcium signalling, receptors are the important components. The mobilization of intracellular calcium from intracellular stores depends upon binding of agonist to cell surface receptor. Thrombin is chosen as model ligand. In order to understand thrombin receptor activation, we analyze fractional model incorporating derivative of arbitrary order and nonsingular kernel which can precisely describe the effect of memory and can explain the model in better and more efficient manner as compared with fractional operators with singular kernels. The problem has been solved by perturbation iterative method. Using fixed‐point theorem, it is proved that solution of the system will exist and also it will be unique. 相似文献