A wide-range Parallel Radial Mirror Analyzer for scanning electron/ion microscopes

This paper presents the design of a wide-range Parallel Radial Mirror Analyzer (RMA) for use as an attachment inside the specimen chambers of scanning electron/ion microscopes. The range of energies for the PRMA typically varies by a factor of 50, and it is predicted to have second-order focusing properties for all electrons/ions that are detected. For a polar angular spread of ±3°, the simulated energy resolution at an energy of 100 eV is around 0.65%, and it drops to less than 0.2% for energies between 300 eV and 5000 eV. The PRMA is predicted to have a transmittance of over an order magnitude better than previous wide-range parallel energy analyzer designs.     

Resonance raman excitation profile of a ruthenium(II) complex of dipyrido[2,3-a:3',2'-c]phenazine

The lowest energy transition of [Ru(CN)(4)(ppb)](2-) (ppb = dipyrido[2,3-a:3',2'-c]phenazine), a metal-to-ligand charge transfer, has been probed using resonance Raman spectroscopy with excitation wavelengths (488, 514, 530, and 568 nm) spanning the lowest energy absorption band centered at 522 nm. Wave packet modeling was used to simultaneously model this lowest energy absorption band and the cross sections of the resonance Raman bands at the series of excitation wavelengths across this absorption band. A fit to within +/-20% was obtained for the Raman cross sections, close to the experimental uncertainty which is typically 10-20%. Delta values of 0.1-0.4 were obtained for modes which were either localized on the ppb ligand (345-1599 cm(-1)) or the CN modes (2063 and 2097 cm(-1)). DFT calculations reveal that the resonance Raman bands observed are due to modes delocalized over the entire ppb ligand.     

Transformation and structural discrimination between the neutral {Fe(NO)2}10 dinitrosyliron complexes (DNICs) and the anionic/cationic {Fe(NO)2}9 DNICs

Reaction of Fe(CO)2(NO)2 and sparteine/tetramethylethylenediamine (TMEDA) in tetrahydrofuran afforded the electron paramagnetic resonance (EPR)-silent, neutral {Fe(NO)2}10 dinitrosyliron complexes (DNICs) [(sparteine)Fe(NO)2] (1) and [(TMEDA)Fe(NO)2] (2), respectively. The stable and isolable anionic {Fe(NO)2}9 DNIC [(S(CH2)3S)Fe(NO)2]- (4), with a bidentate alkylthiolate coordinated to a {Fe(NO)(2)} motif, was prepared by the reaction of [S(CH2)3S]2- and the cationic {Fe(NO)2}9 [(sparteine)Fe(NO)2]+ (3) obtained from the reaction of complex 1 and [NO][BF4] in CH(3)CN. Transformation from the neutral complex 1 to the anionic complex 4 was verified via the cationic complex 3. Here complex 3 acts as an {Fe(NO)2}-donor reagent in the presence of thiolates. The EPR spectra of complexes 3 and 4 exhibit an isotropic signal with g = 2.032 and 2.031 at 298 K, respectively, the characteristic g value of {Fe(NO)2}9 DNICs. On the basis of N-O/Fe-N(O) bond lengths of the single-crystal X-ray structures of the {Fe(NO)2}9/{Fe(NO)2}10 DNICs, the oxidation level of the {Fe(NO)2} core of DNICs can be unambiguously assigned. The mean N-O distances falling in the range of 1.214(6)-1.189(4) A and the Fe-N(O) bond distances in the range of 1.650(7)-1.638(3) A are assigned as the neutral {Fe(NO)(2)}(10) DNICs. In contrast, the mean N-O bond distances ranging from 1.178(3) to 1.160(6) A and the mean Fe-N(O) bond distances ranging from 1.695(3) to 1.661(4) A are assigned as the anionic/neutral/cationic {Fe(NO)2}9 DNICs. In addition, an EPR spectrum in combination with the IR nu(NO) (the relative position of the nu(NO) stretching frequencies and their difference Deltanu(NO)) spectrum may serve as an efficient tool for discrimination of the existence of the anionic/cationic/neutral {Fe(NO)2}9 DNICs and the neutral {Fe(NO)2}10 DNICs.     

Alternating droplet generation and controlled dynamic droplet fusion in microfluidic device for CdS nanoparticle synthesis

A multifunctional and high-efficiency microfluidic device for droplet generation and fusion is presented. Through unique design of the micro-channels, the device is able to alternately generate droplets, generating droplet ratios ranging from 1 ratio 5 to 5 ratio 1, and fuse droplets, enabling precise chemical reactions in several picoliters on a single chip. The controlled fusion is managed by passive control based on the channel geometry and liquid phase flow. The synthesis of CdS nanoparticles utilizing each fused droplet as a microreactor for rapid and efficient mixing of reagents is demonstrated in this paper. Following alternating droplet generation, the channel geometry allows the exclusive fusion of alternate droplets with concomitant rapid mixing and produces supersaturated solution of Cd2+ and S2- ions to form CdS nanoparticles in each fused droplet. The spectroscopic properties of the CdS nanoparticles produced by this method are compared with CdS prepared by bulk mixing.     

Computational Science and Engineering Online (CSE-Online): a cyber-infrastructure for scientific computing

With the expansion of the Internet and World Wide Web (or the Web), research environments have changed dramatically. As a result, the need to be able to efficiently and securely access information and resources from remote computer systems is becoming even more critical. This paper describes the development of an extendable integrated Web-accessible simulation environment for computational science and engineering called Computational Science and Engineering Online (CSE-Online; http://cse-online.net). CSE-Online is based on a unique client-server software architecture that can distribute the workload between the client and server computers in such a way as to minimize the communication between the client and server, thus making the environment less-sensitive to network instability. Furthermore, the new software architecture allows the user to access data and resources on one or more remote servers as well as on the computing grid while having the full capability of the Web-services collaborative environment. It can be accessed anytime and anywhere from a Web browser connected to the network by either a wired or wireless connection. It has different modes of operations to support different working environments and styles. CSE-Online is evolving into middleware that can provide a framework for accessing and managing remote data and resources including the computing grid for any domain, not necessarily just within computational science and engineering.     

Growth of ternary ZnCdSe nanowires and the fabrication of ZnCdSe nanowire photodetectors

The authors report the growth of high density ternary ZnCdSe nanowires on an oxidized Si(100) substrate using molecular beam epitaxy and the fabrication of a ZnCdSe nanowire photodetector. It was found that the as-grown ZnCdSe nanowires exhibited a mixture of cubic zinc-blende and hexagonal wurtzite structures. It was also found that average length and width of the ZnCdSe nanowires were ∼1.8 μm and ∼42.7 nm, respectively. Furthermore, it was found that photocurrent to dark current contrast ratio was around 25 for the fabricated photodetector under 5 V applied bias.     

Sliding Abrikosov lattice in a superconductor with a regular array of artificial pinning centers: AC conductivity and criticality at small frequencies

Dynamics of the flux lattice in the mixed state of strongly type-II superconductor near the upper critical field subjected to AC field and interacting with a periodic array of short range pinning centers is considered. The superconductor in a magnetic field in the absence of thermal fluctuations on is described by the time-dependent Ginzburg–Landau equations. For a special case of the δ-function shaped pinning centers and for pinning array commensurate with the Abrikosov lattice (so that vortices outnumber pinning centers) an analytic expression or the AC conductivity is obtained. It is found that below a certain critical pinning strength and for sufficiently low frequencies there exists a sliding Abrikosov lattice, which vibrates nearly uniformly despite interactions with the pinning centers. At very small frequencies the conductivity diverges at the critical pinning strength.     

New model for tracer-diffusion in amorphous solid

The tracer-diffusion and structure of polymorphic states of amorphous solid is studied by mean of the statistic relaxation technique and simplex analysis. Several different metastable states of amorphous iron have been constructed based on the model containing 2 × 10⁵ atoms. All models have almost the same pair radial distribution functions, but they differ in the potential energy per atom and the density. We found a large number of vacancy-simplexes which varies according to the relaxation and serves as a diffusion vehicle. New diffusion mechanism for tracer-diffusion is found of which the elementary diffusion process likes a collapse of “microscopic bubble” in amorphous matrix. This includes a jump of diffusing atom and the collective movement of a large number of neighboring atoms. The diffusion constant D determined in accordance with considered diffusion mechanism is in reasonable agreement with experimental data. The decrease in diffusion constant D upon thermal annealing is explained by the reducing vacancy-simplex concentration which is caused by both the local atomic rearrangement and the elimination of excess free volume.     

Enhancement of pump conversion efficiency in preamplified L-band erbium-doped fiber amplifiers

A new configuration of L-band erbium-doped fiber amplifiers (EDFAs) is presented here. The system contains a double-pass L-band EDFA and an optical preamplifier. Different from conventional preamplified double-pass L-band EDFA systems in which only the forward ASE of the preamplifier is re-used as an auxiliary pump, the new system recycles the backward ASE of the preamplifier as well. Two kinds of main L-band EDFAs are studied, both of which include a section of un-pumped erbium-doped fiber placed in a loop reflector. An improvement of up to 110% in pump conversion efficiency is demonstrated with the proposed recycling of the backward ASE, with respect to the system without recycling.