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61.
Σ3 grain boundaries form as a result of either growth twinning or deformation twinning in face centered cubic (fcc) metals and play a crucial role in determining the mechanical and electrical properties and microstructural stability. We studied the structure and stability of Σ3 grain boundaries (GBs) in fcc metals by using topological analysis and atomistic simulations. Atomistic simulations were performed for Cu and Al with empirical interatomic potentials to reveal the influence of stacking fault energy on the morphology of the twinned grains. Three sets of tilt Σ3 GBs were studied with respect to the tilt axis parallel to ?111?, ?112?, and ?110?, respectively. We showed that Σ3{111} and Σ3{112} GBs are thermodynamically stable and the others will dissociate into terraced interfaces regardless of the stacking fault energy. The morphology of the nano-twinned grains in Cu is predicted from the above analysis and found to match with experiments. 相似文献
62.
Prabudh R. Misra 《Semigroup Forum》1996,52(1):105-108
In this note we verify a conjecture of Magill [3] about orders of “steplike” functions. These functions turn out to be useful
in producing a finite subsemigroup of S(ℝ) of any given order. 相似文献
63.
Betterment in EDXRF analytical results for compositional characterization of mixed uranium thorium oxide samples with bead specimens compared with pressed pellet specimens 下载免费PDF全文
A comparative study on the energy dispersive X‐ray fluorescence analytical results of uranium determinations, in uranium and uranium–thorium mixed oxides, using specimens in the form of fused beads and pressed pellets, has been made. It was observed that in case of fusion bead specimens, the intensity of the analyte lines was approximately 1.6 times of that observed in pellet specimens under identical instrumental conditions. In case of uranium oxide samples, the analytical results with bead specimens were slightly better compared with the pellet specimens. However, in case of the uranium–thorium oxide mixtures, the average precision obtained with bead specimen was significantly better (1%, 1 s) in comparison with that achieved using pellet specimens (7%, 1 s). This difference may be due to the hardness of thorium oxide compared with uranium oxide, which affects the homogeneity of the pellet specimens prepared. In fusion bead method of sample preparation, even highly refractory material like ThO2 forms uniform glass beads. Addition of internal standard further improves the analytical results, with reduction in the percent deviation of energy dispersive X‐ray fluorescence results from the expected values to 3% from 7% compared with that obtained using without internal standard. The fusion bead method of sample preparation will be very useful for characterization of sintered (U,Th)O2 pellets, which are highly refractory and difficult to dissolve. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
64.
The force on a charged dust grain in a plasma due to polarization of thermal ions and degenerate electrons around the grain is derived in the limits of weakly relativistic and ultra-relativistic degeneracy of electrons. It is found that in both these cases, the magnitude of the polarization force is enhanced compared to that in classical plasmas. The influence of this force on dust-acoustic(DA) modes is examined and discussed. It is shown that the DA wave frequency in degenerate plasmas is significantly reduced compared to the classical DA mode. 相似文献
65.
Enhanced field emission from pulsed laser deposited nanocrystalline ZnO thin films on Re and W 总被引:1,自引:0,他引:1
Dattatray J. Late Pankaj Misra B. N. Singh Lalit M. Kukreja Dilip S. Joag Mahendra A. More 《Applied Physics A: Materials Science & Processing》2009,95(2):613-620
Nanocrystalline ZnO thin films have been deposited on rhenium and tungsten pointed and flat substrates by pulsed laser deposition
method. An emission current of 1 nA with an onset voltage of 120 V was observed repeatedly and maximum current density ∼1.3 A/cm2 and 9.3 mA/cm2 has been drawn from ZnO/Re and ZnO/W pointed emitters at an applied voltage of 12.8 and 14 kV, respectively. In case of planar
emitters (ZnO deposited on flat substrates), the onset field required to draw 1 nA emission current is observed to be 0.87
and 1.2 V/μm for ZnO/Re and ZnO/W planar emitters, respectively. The Fowler–Nordheim plots of both the emitters show nonlinear
behaviour, typical for a semiconducting field emitter. The field enhancement factor β is estimated to be ∼2.15×105 cm−1 and 2.16×105 cm−1 for pointed and 3.2×104 and 1.74×104 for planar ZnO/Re and ZnO/W emitters, respectively. The high value of β factor suggests that the emission is from the nanometric features of the emitter surface. The emission current–time plots
exhibit good stability of emission current over a period of more than three hours. The post field emission surface morphology
studies show no significant deterioration of the emitter surface indicating that the ZnO thin film has a very strong adherence
to both the substrates and exhibits a remarkable structural stability against high-field-induced mechanical stresses and ion
bombardment. The results reveal that PLD offers unprecedented advantages in fabricating the ZnO field emitters for practical
applications in field-emission-based electron sources. 相似文献
66.
Rajiv Manohar Abhishek Kumar Misra Satya Prakash Yadav A.K. Prajapati 《Journal of Physics and Chemistry of Solids》2010,71(12):1684-1689
Dielectric measurements have been carried out for the determination of real and imaginary parts of the permittivity of a newly synthesized, unusually shaped liquid crystal. The sample has been investigated in the frequency range from 100 Hz to 10 MHz within a temperature range 80-130 °C. The dielectric measurements in the smectic A phase indicate a Cole-Cole type of dispersion, and the activation energy was found to be 5.5 meV by using the Arrhenius plot of relaxation time. In addition to this, thermal and optical transmittance studies have also been conducted in the above mentioned temperature range, and the temperature dependence of these parameters has been discussed in detail. The phase transition temperature obtained from a differential scanning calorimetry (DSC) study matches within 2 °C that was obtained from an optical transmittance study. The dielectric and optical behavior of the unusually shaped liquid crystal has been explained on the basis of a proposed theoretical model in which a sample possesses two different conformers having induced polarizations in opposite directions. 相似文献
67.
Durgesh Dubey Smriti Chaurasia Anupam Guleria Sandeep Kumar Dinesh Raj Modi Ramnath Misra Dinesh Kumar 《Magnetic resonance in chemistry : MRC》2019,57(1):30-43
Currently, there are no reliable biomarkers available that can aid early differential diagnosis of reactive arthritis (ReA) from other inflammatory joint diseases. Metabolic profiling of synovial fluid (SF)—obtained from joints affected in ReA—holds great promise in this regard and will further aid monitoring treatment and improving our understanding about disease mechanism. As a first step in this direction, we report here the metabolite specific assignment of 1H and 13C resonances detected in the NMR spectra of SF samples extracted from human patients with established ReA. The metabolite characterization has been carried out on both normal and ultrafiltered (deproteinized) SF samples of eight ReA patients (n = 8) using high-resolution (800 MHz) 1H and 1H─13C NMR spectroscopy methods such as one-dimensional 1H CPMG and two-dimensional J-resolved1H NMR and homonuclear 1H─1H TOCSY and heteronuclear1H─13C HSQC correlation spectra. Compared with normal SF samples, several distinctive 1H NMR signals were identified and assigned to metabolites in the 1H NMR spectra of ultrafiltered SF samples. Overall, we assigned 53 metabolites in normal filtered SF and 64 metabolites in filtered pooled SF sample compared with nonfiltered SF samples for which only 48 metabolites (including lipid/membrane metabolites as well) have been identified. The established NMR characterization of SF metabolites will serve to guide future metabolomics studies aiming to identify/evaluate the SF-based metabolic biomarkers of diagnostic/prognostic potential or seeking biochemical insights into disease mechanisms in a clinical perspective. 相似文献
68.
Ambrish Kumar Srivastava Neeraj Misra 《International journal of quantum chemistry》2016,116(7):524-528
LiOH is one of the strong bases among neutral molecules. What about hydroxides of small Lin (n = 2 ? 5) clusters? The addition of a single atom to a cluster sometimes has dramatic effects on its reactivity. This fact motivated us to perform an ab initio MP2/6‐311++G(d, p) investigation on LinOH species (n = 1 ? 5). These LinOH species are stabilized by both ionic as well as covalent interactions, and are found to be stable against elimination of LiOH and OH. We have determined their gas and aqueous phase basicity by considering hypothetical protonation reactions. The calculated proton affinities of LinOH (n ≥ 2) suggest their reduced basicity as compared to LiOH by 50–100 kJ/mol. The NBO charges and the highest occupied molecular orbitals also reveal the electride and alkalide characteristics of Li2OH and Li3OH, respectively. © 2016 Wiley Periodicals, Inc. 相似文献
69.
This study addresses the magnetic interaction between paramagnetic metal ions and the radical ligands taking the [CuII(hfac)2(imVDZ)] and [MII(hfac)2(pyDTDA)] (imVDZ=1,5-dimethyl-3-(1-methyl-2-imidazolyl)-6-oxoverdazyl; hfac=(1,1,1,5,5,5)hexafluroacetylacetonate; pyDTDA=4-(2′-pyridyl)-1,2,3,5-dithiadiazolyl), (M=Cu, Ni, Co, Fe, Mn) compounds as reference systems. The coupling between the metal and ligand spins is quantified in terms of the exchange coupling constant (J) in the platform of density functional theory (DFT) and the wave function-based complete active space self-consistent field (CASSCF) method. Application of DFT and broken symmetry (BS) formalism results ferromagnetic coupling for all the transition metal complexes except the Mn(II) complex. This DFT-BS prediction of magnetic nature matches with the experimental finding for all the complexes other than the Fe(II)-pyDTDA complex, for which an antiferromagnetic coupling between high spin iron and the thiazyl ligand has been reported. However, evaluation of spin state energetics through the multiconfigurational wave function-based method produces the S=3/2 ground spin state for the iron-thiazyl in parity with experiment. Electronic structure analyses find the overlap between the metal- and ligand-based singly occupied molecular orbitals (SOMOs) to be one of the major reasons attributing to different extent of exchange coupling in the systems under investigation. 相似文献
70.
Gupta Madan Mohan Srivastava Alpana Tripathi Arvind Kumar Misra Himanshu Verma Ram Kishore 《平面色谱法杂志一现代薄层色谱法》2006,19(4):282-287
JPC – Journal of Planar Chromatography – Modern TLC - High-performance thin-layer chromatography (HPTLC) has been used for normal-phase separation of the components of hexane,... 相似文献