Line shape of photodesorption yield

For photodesorption of physisorbed molecules by resonant laser-molecular vibrational coupling, we calculate the frequency dependence of the photodesorption yield due to homogeneous and inhomogeneous line broadening.     

Line energy,line tension and drop size

The relation between drop radius, r, the force to move the three phase contact line and the advancing and receding contact angles θ_A and θ_R is studied. To keep the line energy (energy per 2πr, also named line tension) independent of r, the modified Young equation predicts that the advancing and receding contact angles, θ_A and θ_R, change considerably with r. As shown by many investigators, θ_A and θ_R change negligibly, if at all, with r. We quantify recent evidences showing that the line energy is a function of the Laplace pressure and show that this way the modified Young equation is correct and still θ_A and θ_R should hardly change with r. According to our model, the small surface deformation associated with the unsatisfied normal component of the Young equation results in higher intermolecular interactions at the three phase contact line which corresponds to a higher retention force. This time increasing effect is supported by recent experiments.     

The shape of epitaxially grown silicon nanowires and the influence of line tension

Silicon nanowires grown epitaxially via the vapor–liquid–solid mechanism show a larger diameter at the base of the nanowire, which cannot be explained by an overgrowth of the nanowire alone. By considering the equilibrium condition for the contact angle of the droplet, the Neumann quadrilateral relation, a quasi-static model of epitaxial nanowire growth is derived. It is found that a change of the contact angle of the droplet is responsible for the larger diameter of the nanowire base, so that the expansion has to be considered a fundamental aspect of epitaxial vapor–liquid–solid growth. By comparison of experimental results with theoretical calculations, an estimate for the line tension is obtained. In addition, the growth model predicts the existence of two different growth modes. Only within a certain range of line-tension values is the mode corresponding to ordinary nanowire growth realized, whereas nanowire growth stops at a relatively small height if the line tension exceeds an upper boundary. An approximate analytic expression for the upper boundary as a function of the surface tensions is given. PACS 68.65.-k; 61.46.+w; 81.10.Bk     

Eight-vertex model: Anisotropic interfacial tension and equilibrium crystal shape

The anisotropic interfacial tension of the eight-vertex model is found by a new method, which introduces two inhomogeneous systems. As the width of the system becomes large, a doublet of the largest eigenvalues of the row-row transfer matrix is asymptotically degenerate. The anisotropic interfacial tension is calculated from their finite-size correction terms in this limit. By the use of the anisotropic interfacial tension, the equilibrium crystal shape of the eight-vertex model is derived via Wulff's construction. The equilibrium crystal shape is represented as a simple algebraic curve. We discuss the close relation between the algebraic curve and the form of an elliptic function appearing in the expression of the interfacial tension.     

Line shape in collision-induced absorption spectra

A new and improved method is presented for computer simulation of collision-induced far-infrared absorption spectra of atomic and molecular species. The improvements involve (a) eliminating redundancy in the statistical sampling of the molecular trajectories, and (b) transforming the integrals for the orbital variables so that the singularities of the integrands at the turning points are eliminated. An asymptotic theory of the line shape developed earlier for atomic spectra is extended to molecular spectra. Results are given for the atomic species, due to overlap induction, at the reduced temperatures T* = 1, 2, 4, 5, 10, 15, and for the molecular species, due to quadrupolar, octopolar and hexadecapolar induction, at T* = 1, 2, 4. The agreement between the simulated and theoretical spectra is excellent.     

Line tension behavior of a first-order wetting system

Line tension of hexaethylene glycol on a silicon wafer is measured with positive values up to +2.5x10(-11) N below a contact angle of 6 degrees and negative values down to -2x10(-10) N above 6 degrees, as expected for a first-order wetting system. From the measured interface potentials, a semiquantitative model function for the overall interface potential is derived as a superposition of a constant nonretarded van der Waals interaction with a Hamaker constant of -2.6x10(-19) J and an exponentially decaying term, allowing the prediction of a finite positive line tension at the wetting transition.     

Line tension and nanometer drop wettability on solid surfaces

The dimensional dependence of the angle of solid surface wetting by a small drop on the latter’s size R and radius of the wetting outline r is considered. Numerical values of specific linear energy γ?(r) and line tension σ _r (r) of the wetting outline are calculated for a nanometer tin drop-substrate surface-aluminum film system. It is shown that wetting angle θ(R,r) in the drop-substrate surface system increases as the wetting outline’s radius decreases.     

Line shape analysis for Zeeman modulation spectroscopy

The technique of Zeeman modulation spectroscopy has been applied to the nitric oxide fundamental in order to compare the observed line shapes and intensities with theory. A predicted change of the sign of theg _J factor at high rotational states has been verified experimentally. The tunable laser source used in the experiment was a spin-flip Raman laser.     

Line shape of phonon-broadened spin-12 absorption spectra

A scheme for factorizing spin correlation functions in the time-domain is applied to the calculation of dynamic susceptibilities of a linearly coupled spin-lattice system.     

Characterising the chemical and physical properties of phase-change nanodroplets

Phase-change nanodroplets have attracted increasing interest in recent years as ultrasound theranostic nanoparticles. They are smaller compared to microbubbles and they may distribute better in tissues (e.g. in tumours). They are composed of a stabilising shell and a perfluorocarbon core. Nanodroplets can vaporise into echogenic microbubbles forming cavitation nuclei when exposed to ultrasound. Their perfluorocarbon core phase-change is responsible for the acoustic droplet vaporisation. However, methods to quantify the perfluorocarbon core in nanodroplets are lacking. This is an important feature that can help explain nanodroplet phase change characteristics. In this study, we fabricated nanodroplets using lipids shell and perfluorocarbons. To assess the amount of perfluorocarbon in the core we used two methods, ¹⁹F NMR and FTIR. To assess the cavitation after vaporisation we used an ultrasound transducer (1.1 MHz) and a high-speed camera. The ¹⁹F NMR based method showed that the fluorine signal correlated accurately with the perfluorocarbon concentration. Using this correlation, we were able to quantify the perfluorocarbon core of nanodroplets. This method was used to assess the content of the perfluorocarbon of the nanodroplets in solutions over time. It was found that perfluoropentane nanodroplets lost their content faster and at higher ratio compared to perfluorohexane nanodroplets. The high-speed imaging indicates that the nanodroplets generate cavitation comparable to that from commercial contrast agent microbubbles. Nanodroplet characterisation should include perfluorocarbon concentration assessment as critical information for their development.     

Surface tension and equilibrium shape of crystals in a wide range of angles

We have found the angular dependence of the surface tension using simplified models including short-range interaction as well as long-range interaction. The shape of a rounded surface is found in total range of angles as well as sizes of rectilinear (smooth) faces depending on parameters of a model and the temperature. Some dimensionless ratios have occurred to be universal.     

Line shape and excitation strength of the first excited state in9Be

The line shape and the excitation strength of the very weak first excited J ^π =1/2⁺ state at E_x=1.684 MeV in Zeitschrift für Physik Zeitschrift für Physik⁹Be has been investigated with high-resolution inelastic electron scattering at E₀=45 and 49 MeV and scattering angles θ=105°, 117°, 129° and 165°, and with high-resolution inelastic proton scattering at E₀=13MeV and θ=15° and 18°. Due to lying just above the neutron threshold the level has a strongly asymmetric line shape which in both experiments can be described consistently with a Breit-Wigner expression modified on the low energy side by the threshold behaviour of the cross section. The resonance energy is E_R=1.684 ± 0.007 MeV and the width T=217± 10 keV in thec.m. system. A single particle potential model calculation reproduces the line shape and the resonance parameters fairly well. In addition, the inelastic electron scattering form factor has been measured. In the range of momentum transfersq =0.24-0.46 fm^?1 it is dominated by a 0p_3/2→ 1s_1/2 particle-hole transition. The transition is mainly longitudinal and of isoscalar nature with a strength of B (E1)↑ =0.027 + 0.002 e² fm², but a small M2 contribution ofB(M2)↑=8.8 ±1.5 μ _N ² fm² has also been detected.     

Motion of nanodroplets near edges and wedges

Nanodroplets residing near wedges or edges of solid substrates exhibit a disjoining pressure induced dynamics. Our nanoscale hydrodynamic calculations reveal that nonvolatile droplets are attracted or repelled from edges or wedges depending on details of the corresponding laterally varying disjoining pressure generated, e.g., by a possible surface coating.     

Line tension controls wall-induced crystal nucleation in hard-sphere colloids

We report on a numerical study of the effect of a smooth, hard wall on the crystallization of hard-sphere colloids. We find that the presence of the wall drastically lowers the barrier for crystal nucleation, but it does not eliminate it. Crystal nucleation becomes noticeable at pressures that are some 5% above the coexistence value. The first particles to crystallize on the wall form a (111) plane. Initially, this crystallite grows laterally, rather than in the third dimension. The free energy of the critical crystal nucleus on the wall is about 2 orders of magnitudes lower than in the bulk. Analysis of the numerical data indicates that, at coexistence, the (111) plane is at the threshold of wetting the wall. The nucleation barrier is dominated by line tension.     

Line shape considerations in ultrafast 2D NMR

We have recently proposed and demonstrated an approach that enables the acquisition of 2D nuclear magnetic resonance (NMR) spectra within a single scan. The approach is based on spatially encoding the spins' evolution along the indirect domain with the aid of a magnetic field gradient, and subsequently decoding this information numerous times over the course of the signal acquisition while spins are subject to a train of gradient echoes. The present paper discusses further considerations pertaining the 2D line shapes arising from this new way of collecting NMR data. Specific issues that are hereby addressed include (i) the effects introduced by fast relaxation onto the spatial encoding process, particularly the line widths and line shapes that will then arise in the frequency domain; (ii) approaches capable of correcting for the mixed-phase kernels resulting in these fast-relaxation cases, corresponding in essence to spatially encoded analogs of the TPPI and hypercomplex time-domain acquisition procedures; (iii) the enveloping characteristics imposed by the use of discrete excitation pulses on the attainable spectral widths along the indirect domain; and (iv) an analysis of the signal-to-noise characteristics of the methodology, with experimental corroborations of theoretical predictions and an illustration of the method's capabilities to analyze protein solutions in the mM-range concentration.     

Line shape and lifetime in argon 2p electron spectroscopy

The argon 2p photoelectron spectrum and the argon L₃M₂₃M₂₃ ¹S₀ Auger spectrum have been measured at several photon energies between 6 and 80 eV above the 2p_3/2 threshold with an instrumental line width significantly smaller then the natural line width. The spectra are described well by the theory of van der Straten et al. [Z. Phys. D 8 (1988) 35] provided that allowance is made for the instrumental resolution and measurements are made at a sufficiently low pressure. The lifetime (Lorentzian) line width determined from these measurements for the core-ionized atom is 112±3 meV, in good agreement with the line width for the 2p_3/2→4s core-excited state, 114±2 meV, indicating that the 4s electron has little influence on the Auger decay rate. Remeasurement of the line width for the carbon 1s hole in carbon dioxide gives values in good agreement with the previous measurement of 99 meV.