Atomic scale fluctuations govern brittle fracture and cavitation behavior in metallic glasses

We perform atomistic simulations on the fracture behavior of two typical metallic glasses, one brittle (FeP) and the other ductile (CuZr), and show that brittle fracture in the FeP glass is governed by an intrinsic cavitation mechanism near crack tips in contrast to extensive shear banding in the ductile CuZr glass. We show that a high degree of atomic scale spatial fluctuations in the local properties is the main reason for the observed cavitation behavior in the brittle metallic glass. Our study corroborates with recent experimental observations of nanoscale cavity nucleation found on the brittle fracture surfaces of metallic glasses and provides important insights into the root cause of the ductile versus brittle behavior in such materials.     

Conformationally rigid chiral ferrocene derivative: Synthesis,resolution and stereochemical assignment

A conformationally rigid chiral molecule LB-I with Lewis basic site has been designed and synthesized in racemic form from ferrocene via Lewis acid mediated diastereoselective cyclization of hydroxy lactam. Both isomers were successfully obtained in enantiomerically pure form through classical resolution using dibenzoyl-d-tartaric acid as the chiral resolving agent in acetone. The nature of the diastereomeric salt formed in the resolution process was investigated by single crystal X-ray crystallographic studies. The absolute configuration of (+)-LB-I was unambiguously assigned as (S,R_p) by single crystal analysis of the salt I obtained from precipitate fraction containing (+)-LB-I and dibenzoyl-d-tartaric acid.     

Copper(II)-catalyzed conversion of bisaryloxime ethers to 2-arylbenzoxazoles via C-H functionalization/C-N/C-O bonds formation

A copper(II)-catalyzed conversion of bisaryloxime ethers to 2-arylbenzoxazoles has been developed. The reaction involves a cascade C-H functionalization and C-N/C-O bond formation under oxygen atmosphere.     

Acid-responsive microcapsules: the loading-unloading processes

A simple and convenient method to prepare acid-responsive microcapsules by using functionalized single-walled carbon nanotubes and ytterbium triflate has been developed. Fluorescence active compounds were "pre-loaded" or "post-loaded" in the microcapsules and released later in acidic medium. An interesting "zip-unzip" phenomenon was observed while filming the action of acid on microcapsules under a microscope.     

Synthesis,photochemical and phase behavior of linear and hyperbranched photoactive benzylidene liquid‐crystalline polyesters

Photoactive hyperbranched benzylidene liquid‐crystalline polyester (PAHBP) and photoactive linear benzylidene liquid‐crystalline polyester (PALBP) were synthesized by solution polycondensation with pyridine as an acid acceptor. PAHBP and PALBP were thoroughly characterized with Fourier transform infrared, ¹H and ¹³C NMR, ultraviolet–visible spectrophotometry, fluorescent spectrophotometry, gel permeation chromatography, thermogravimetric analysis, differential scanning calorimetry, and polarized optical microscopy. Both polymers exhibited nematic mesophase. The glass‐transition temperature and liquid‐crystalline isotropic temperature of PAHBP were higher than those of PALBP. During photolysis under ultraviolet light, both polymers underwent an intermolecular photocycloaddition reaction, and the photoactivity of PAHBP was faster than that of PALBP; this was further confirmed by photoviscosity studies. PALBP and PAHBP were fluorescent in nature. An increase in the fluorescence intensity with the time of ultraviolet‐light irradiation was observed for both PAHBP and PALBP. The rate of increase in the fluorescence intensity of the linear analogue (PALBP) was higher than that of the hyperbranched polymer (PAHBP). This behavior could be attributed to the attainment of better planarity in the case of the linear one but not in the case of PAHBP because of the rapid crosslinking of PAHBP leading to an irregular architecture. This behavior was further confirmed by the calculation of the steric energy from corresponding model compounds. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3986–3994, 2006     

Generation, measurement and optimization of a variable duration, short pulse, mode-locked cavity-dumped Nd:YAG laser

Spectral and temporal measurements undertaken on a single picosecond laser pulse from a flash lamp pumped, cavity dumped, active/passive mode-locked Nd:YAG laser are presented in this paper. Optimization of several parameters of the resonator cavity produced a single pulse with 0.7 mJ energy and 10² contrast. The pulse duration was variable from 24 to 120 ps by using intra-cavity etalons of different thicknesses. The pulse width and spectrum of the pulse were simultaneously measured using a second harmonic autocorrelator and a spectrometer. The time bandwidth product was 0.445, which is close to theoretical limit for a bandwidth limited pulse.     

Measurement of line widths of CO of planetary interest at low temperatures

Self-broadened, air-broadened and CO₂-broadened half-widths of lines R(0) through R(0) in the CO fundamental have been measured at 100°K (self-broadening only), 200°K, 250°K and 300°K using the Ladenburg-Reiche curve-of-growth. The relation $\text{γ}{}^{\mathrm{°}}{}_{\mathrm{m}}\text{(T)}\text{γ}{}^{\mathrm{°}}{}_{\mathrm{m}}\text{(300°K)}\text{=(}\text{300}\text{T}\text{)}{}^{0.75}$, which we found previously for the nitrogen-broadened half-widths of R(0), R(8) and R(16), is shown to be valid for all of the line widths measured in the present study.     

Intensity measurements in the 4·54μ fundamental of CH3D at low temperatures

The integrated intensities of the J-multiples R(4) through P(12), including the Q-branch, of the 4·54μ fundamental of CH₃D have been measured at 100°K, 150°K, 200°K, 250°K, and 298°K. Comparison of the measured line strengths with values calculated using symmetric-top formulae suggests strong intensity anamolies.