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排序方式: 共有298条查询结果,搜索用时 125 毫秒
41.
A set of Lindemann measures, based on positional deviations or return distances, defined with respect to mechanically stable inherent structure configurations, is applied to understand the solid-liquid phase transition in a Lennard-Jones-type system. The key quantity is shown to be the single-particle return distance-squared distribution. The first moment of this distribution is related to the Lindemann parameter which is widely used to predict the melting temperature of a variety of solids. The correlation of the single-particle return distance and local bond orientational order parameter in the liquid phase provides insights into mechanisms for melting. These generalized Lindemann measures, especially the lower order moments of the single-particle return distance distribution, show clear signatures of the transition of the liquid from the stable to the metastable, supercooled regime and serve as landscape-based indicators of the thermodynamic freezing transition for the Lennard-Jones-type system investigated. 相似文献
42.
MJ Singh DO Kataria N Madhavan P Sugathan JJ Das DK Awasthi AK Sinha R Shanker 《Pramana》1999,53(4):743-764
A projectile ion-recoil ion coincidence technique has been employed to study the multiple ionization and the charge transfer
processes in collisions of 60–120 MeV Si
q+ (q = 4−14) ions with neutral argon atoms. The relative contribution of different ionization channels, namely; direct ionization,
electron capture and electron loss leading to the production of slow moving multiply charged argon recoil ions have been investigated.
The data reported on the present collision system result from a direct measurement in the considered impact energy for the
first time. The total ionization cross-sections for the recoil ions are shown to scale as q
1.7/E
p
0.5
, where E
p is the energy in MeV of the projectile and q its charge state. The recoil fractions for the cases of total- and direct ionizations are found to decrease with increasing
recoil charge state j. The total ionization fractions of the recoils are seen to depend on q and to show the presence of a ‘shell-effect’ of the target. Further, the fractions are found to vary as 1/j
2 upto j = 8+. The average recoil charge state 〈j〉 increases slowly with q and with the number of lost or captured electrons from or into the projectile respectively. The projectile charge changing
cross-sections σ
qq′ are found to decrease with increasing q for loss ionization and to increase with q for direct-and capture ionization processes respectively. The physics behind various scaling rules that are found to follow
our data for different ionization processes is reviewed and discussed. 相似文献
43.
KM Varier AM Vinodkumar NVSV Prasad PV Madhusudhana Rao DL Sastry Lagy T Baby MC Radhakrishna NG Puttaswamy JJ Das P Sugathan N Madhavan AK Sinha DO Kataria 《Pramana》1999,53(3):529-533
Large enhancements have been observed in the sub-barrier fusion cross sections for Ti+Ni systems in our previous studies.
Coupled channel calculations incorporating couplings to 2+ and 3− states failed to explain these enhancements completely. A possibilty of transfer channels contributing to the residual enhancements
had been suggested. In order to investigate the role of relevant transfer channels, measurements of one- and two-nucleon transfer
were carried out for 46,48Ti+61Ni systems. The present paper gives the results of these studies. 相似文献
44.
This work describes the synthesis of mixed oxide film of vanadium and ruthenium by pulsed deposition technique on multiwall carbon nanotubes and the decoration of gold nanoparticles on the mixed film. A ternary electrocatalyst has been developed for the electrochemical oxidation of hydrazine by combining two metal oxide mixtures with Au nanoparticles. Surface morphology and chemical composition of the electrode have been examined with SEM, EDX, HRTEM, EIS, and XRD. The peak current of hydrazine increased 9 times at the AuNPs/(VOx-RuOx)/CNT/GCE compared to the bare GCE, and the peak potential shifted to negative 848 mV. Linear sweep voltammetry (LSV) and amperometric techniques revealed that the AuNPs/(VOx-RuOx)/CNT/GCE displays linear concentration range 2.5–10000 µM (LSV) and the concentration range 0.03–100 µM (amperometry). The limit of detection (LOD) is 0.5 μM and 0.1 μM at (S/N = 3) for LSV and amperometric technique, respectively. The results obtained show a good RSD% of 2.1%–3.2% and reasonable recovery of 97%–108% of hydrazine detection. 相似文献
45.
Using the heavy quark approximation, we have studied the nonleptonic decay mode Λ
b
→Λ
c
a
1. We have included nonfactorizable contributions as well as factorizable ones in our analysis. The estimated branching ratio
for this process is (1.4±0.1)% and the asymmetry parameter α found to be −0.8. 相似文献
46.
Sakharam B. Tayade Datta Markad Avinash S. Kumbhar Andrea Erxleben Debamitra Chakravarty 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(8):1084-1090
Two new one‐dimensional (1D) coordination polymers (CPs), namely catena‐poly[[[aquacadmium(II)]‐bis(μ‐4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione)] bis(perchlorate) dihydrate], {[Cd(C14H10N6O2)2(H2O)](ClO4)2·2H2O}n or {[Cd(BPG)2(H2O)](ClO4)2·2H2O}n, 1 , and catena‐poly[[lead(II)‐bis(μ‐4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione)] bis(perchlorate) dihydrate], {[Pb(C14H10N6O2)2](ClO4)2·2H2O}n or {[Pb(BPG)2](ClO4)2·2H2O}n, 2 , have been synthesized using bipyridine–glycoluril (BPG; systematic name: 4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione), a urea‐fused tecton, in a mixed‐solvent system. The CdII ion in 1 is heptacoordinated and the PbII ion in 2 is hexacoordinated, with the CdII ion adopting a pentagonal bipyramidal geometry and the PbII ion adopting a distorted octahedral geometry. Both CPs form infinite linear chain structures which are hydrogen bonded to each other leading to the formation of three‐dimensional supramolecular network structures. Topological analysis of CPs 1 and 2 reveals that the structures exhibit 1D chain‐like arrangements in an AB–AB sequence and shows platonic uniform 2‐connected uninodal topologies. Furthermore, a comparative analysis of a series of structures based on the BPG ligand indicates that the size of the metal ion and the types of counter‐ions used have a great influence on the resulting frameworks and properties. 相似文献
47.
Basu U Khan I Hussain A Kondaiah P Chakravarty AR 《Angewandte Chemie (International ed. in English)》2012,51(11):2658-2661
A red light for cancer cells: an iron(III) complex (1, see picture) that contains an anthracenyl fluorophore moiety and a catecholate ligand is a potent, metal-based PDT agent that efficiently photocleaves DNA in near-infrared light, has significant nuclear uptake, and high photocytotoxicity in red light by an apoptotic pathway in HeLa and MCF-7 cancer cells. 相似文献
48.
Chakraborti S Joshi P Chakravarty D Shanker V Ansari ZA Singh SP Chakrabarti P 《Langmuir : the ACS journal of surfaces and colloids》2012,28(30):11142-11152
In biological fluids, nanoparticles are always surrounded by proteins. As the protein is adsorbed on the surface, the extent of adsorption and the effect on the protein conformation and stability are dependent on the chemical nature, shape, and size of the nanoparticle (NP). We have carried out a detailed investigation on the interaction of bovine serum albumin (BSA) with polyethyleneimine-functionalized ZnO nanoparticles (ZnO-PEI). ZnO-PEI was synthesized using a wet chemical method with a core size of ~3-7 nm (from transmission electron microscopy). The interaction of BSA with ZnO-PEI was examined using a combination of calorimetric, spectroscopic, and computational techniques. The binding was studied by ITC (isothermal titration calorimetry), and the result revealed that the complexation is enthalpy-driven, indicating the possible involvement of electrostatic interaction. To investigate the nature of the interaction and the location of the binding site, a detailed domain-wise surface electrostatic potential calculation was performed using adaptive Poisson-Boltzmann software (APBS). The result shows that the protein surface can bind the nanoparticle. On binding ZnO-PEI, the protein gets destabilized to some extent, as displayed by CD (circular dichroism) and FTIR (Fourier transform infrared) spectroscopy. Chemical and thermal denaturation of BSA, when carried out in the presence of ZnO-PEI, also indicated a small perturbation in the protein structure. A comparison of the enthalpy and entropy components of binding with those derived for the interaction of BSA with ZnO nanoparticles explains the effect of hydrophilic cationic species attached on the NP surface. The effect of the NP surface modification on the structure and stability of BSA would find useful applications in nanobiotechnology. 相似文献
49.
R.A. Ganeev P.A. Naik H. Singhal J.A. Chakera M. Kumar U. Chakravarty P.D. Gupta 《Optics Communications》2012,285(12):2934-2941
A systematic study of the high-order harmonic generation (HHG) of laser radiation in various carbon-containing plasma plumes (CCPPs) is presented. The materials studied are: graphite, boron carbide, C60, polytetrafluoroethylene, polyethylene, carbon nanotubes, and soot. These studies show that CCPPs present the best plasma media for efficient lower order (from 9th to 19th) harmonic generation, while the harmonic cutoff restricted to the 29th order. The advantages of CCPPs for the harmonic generation are confirmed by comparison of the HHG conversion efficiency with that in Ag and In plasma plumes, where the highest conversion efficiency was reported. Use of two-color pump scheme allows further enhancement of harmonic yield from the CCPPs. 相似文献
50.
Recent observation and theoretical investigations have led to the significance of electrostatic ion cyclotron (EIC) waves
in the electrodynamics of acceleration process. The instability is one of the fundamental of a current carrying magnetized
plasma. The EIC instability has the lowest threshold current among the current driven instabilities. On the basis of local
analysis where inhomogeneities like the magnetic shear and the finite width current channel, have been ignored which is prevalent
in the magnetospheric environment. On the basis of non-local analysis interesting modification has been incorporated by the
inclusion of magnetic shear. In this paper we provide an analytical approach for the non-local treatment of current driven
electrostatic waves in presence of parallel electric field. The growth rate is significantly influenced by the field aligned
electron drift. The presence of electric field enhances the growth of EIC waves while magnetic shear stabilizes the system. 相似文献