Quenching of excitations in an impure molecular crystal

The rate of quenching of excitons in a one-dimensional molecular crystal by an impurity is quantum-mechanically calculated.     

Quenching of self-diffusion by impurities in plastic crystals as a tentative explanation of experimental discrepancies

A model has been developed which can explain observed discrepancies in the determination by different techniques of the activation energy for self-diffusion in plastic crystals. In this model, impurities play an essential role. The basic hypothesis is that an impurity stabilizes the crystal lattice by reducing the self-diffusion around it, to a range of several molecular distances. This hypothesis allows a semi-quantitative fit of published experimental N.M.R. data on perfluorocyclohexane, and the parameters of the model are found to be consistent with previous work on cyclohexane. Moreover, as observed experimentally, it leads to the conclusion that activation energies deduced from N.M.R. linewidth measurements are in general smaller than those deduced from radiotracer data. It is concluded that for infinitely pure samples, all techniques should lead to convergent results for self-diffusion activation energies.     

First-principles study of He point-defects in HCP rare-earth metals

He defect properties in Sc, Y, Gd, Tb, Dy, Ho, Er and Lu were studied using first-principles calculations based on density functional theory. The results indicate that the formation energy of an interstitial He atom is smaller than that of a substitutional He atom in all hcp rare-earth metals considered. Furthermore, the tetrahedral interstitial position is more favorable than an octahedral position for He defects. The results are compared with those from bcc and fcc metals.     

Using a crystal as a universal generator of localized plastic flow autowaves

Patterns accompanying the development of a localized plastic flow in solids are considered. A correlation between products of the linear and rate parameters of elastic and plastic flows is revealed by analyzing localized plastic flows in metals and nonmetals. A relationship between the parameters of elasticity and plastic flow is hypothesized. A relationship between patterns in plastic flow and quantum-mechanical parameters is found.     

Nanoscale anisotropic plastic deformation in single crystal aragonite

The nanoscale anisotropic elastic-plastic behavior of single-crystal aragonite is studied using nanoindentation and tapping mode atomic force microscopy imaging. Force-depth curves coaxial to the axis exhibited load plateaus indicative of dislocation nucleation events. Plasticity on distinct slip systems was evident in residual topographic impressions where four pileup lobes were present after indentation with a conospherical probe and distinct, protruding slip bands were present after indentation with a Berkovich pyramidal probe. A finite element crystal plasticity model revealed the governing roles of the {110}<001>slip system family, as well as the (100)[010], (100)[001], (010)[100], (010)[001], (001)[100] and (001)[010] systems.     

Impurity effect on the creation of point-defects in GaAs and InP investigated by a slow positron beam

The impurity effect on the creation of point-defects in 60-keV Be⁺-ion implanted GaAs and InP has been studied by a slow positron beam. Vacancy-type defects introduced by ion implantation were observed in n-type GaAs. For p-type GaAs, however, this was not the case. This can be attributed to the recombination of vacancy-type defects with pre-existing interstitial defects in p-type GaAs. In the case of InP, the vacancy-type defects were created by ion implantation and increased with the implantation dose. However, no significant doping effect was observed in InP.     

Fast ion conduction in an acid doped pentaglycerine plastic crystal

High proton conductivity has been achieved in the high temperature plastic crystal phase of pentaglycerine when doped with strong acids, including trifluoromethanesulfonic acid (triflic acid) and methanesulfonic acid. The solid–solid phase transition from the ordered to plastic phase in this material occurs at 86 °C and conductivities of 10^− 3 S/cm were measured in the high temperature plastic phase on the addition of 1 mol% triflic acid. In the case of methanesulfonic acid, the conductivities showed a greater dependence on acid concentration and were lower than for triflic acid, as expected on the basis of acid strengths. Electrochemical characterisation shows a clear hydrogen reduction process indicating that the proton is the mobile species in the plastic phase.     

Structure and dynamics of the plastic crystal tetramethylammonium dicyanamide—a molecular dynamics study

A molecular dynamics study of the organic ionic plastic crystal tetramethylammonium dicyanamide is reported here. An all atom force field, based on CHARMM parameters, has been used, and calculations were carried out under NPT conditions at several temperatures ranging from the rigid lattice (200 K) up to well above the melt (600 K). The volume expansion, radial distribution functions and the onset of different rotational and translational motions has been simulated and are discussed both in terms of plastic crystals in general as well as compared to experimental results previously obtained for this particular system.     

Raman studies of quenched cyclohexane: A plastic crystal glass

By rapidly quenching the plastic crystal cyclohexane (C₆H₁₂) to 77 K we obtain a “plastic crystal glass” i.e. the rotational disorder is frozen in. Raman active vibrational spectra of the glass yield sharp lines, for reasons discussed. The spectra are compared to the equilibrium spectra obtained by slow cooling. We also follow the annealing of the glass as a function of time at different temperatures. The time dependence is consistent with the production of nuclei of the equilibrium crystal without growth of these nuclei     

点缺陷对表面生长动力学标度行为的影响

基于含噪声Kuramoto-Sivashinsky方程, 采用动力学重正化群技术, 研究生长表面存在点缺陷或杂质对表面生长动力学标度行为的影响, 得到了相应的粗糙度指数α 和动力学标度指数z. 所得结果表明, 点缺陷的存在使生长表面粗化, 并缩短达到稳定生长的弛豫时间.     

Quenching Evolution in a Quantum-Classical Hybrid System

The adiabatic theorem, an important theory in quantum mechanics, tells that a quantum system subjected to gradually changing external conditions remains to the same instantaneous eigenstate of its Hamiltonian as it initially in. In this paper, we study the quench evolution that is another extreme circumstance where the external conditions vary rapidly such that the quantum system can not follow the change and remains in its initial state (or wavefunction). We examine the matter-wave pressure and derive the requirement for such an evolution. The study is conducted by considering a quantum particle in an infinitely deep potential, the potential width Q is assumed to be change rapidly. We show that the total energy of the quantum subsystem decreases as Q increases, and this rapidly change exerts a force on the wall which plays the role of boundary of the potential. For Q < Q₀ (Q₀ is the initial width of the potential), the force is repulsive, and for Q > Q₀, the force is positive. The condition for the quenching evolution evolution is given via a spin-\( \frac{1}{2} \) in a rotating magnetic field.

     

Phase Noise Quenching in a Four-Level Laser

In the presence of usual transmission losses, it is shown that phase noise in a four-level laser can be reduced below the Schawlow-Townes limit when lasing levels are coupled to a squeezed vacuum reservoir. The squeezed vacuum coupled to the lasing mode modifies the phase diffusion rate and dominates the contribution from transmission losses. It is predicted to obtain phase stability in the system and phase noise vanishes for larger squeezing. Gain of the laser remains positive under these conditions.     

High-energy x-ray diffraction study on phase transition asymmetry of plastic crystal neopentylglycol

As a prototype material of colossal barocaloric effects, neopentylglycol is investigated by combining high-precision differential scanning calorimetric measurement and high-energy x-ray diffraction measurement. The diffraction data at constant temperatures indicate a first-order phase transition with thermal hysteresis as well as the phase transition asymmetry, specifically, the phase transition is completed faster at cooling than at heating. The analysis of resulting pair distribution function confirms the intermolecular disorder in the high-temperature phase. The phase transition asymmetry is quantitatively characterized by time-resolved x-ray diffraction, which is in agreement with the thermal measurement. Also, such an asymmetry is observed to be suppressed at high pressures.     

Effect of plastic deformation at the crack tip in a crystal on the direction of the tip growth under a mixed load

Evolution of plastic deformation at the tip of a wedge-shaped crack in a crystal under planar strain (modes I and II) was calculated for different cleavage planes, easy-slip systems, angles at the wedge tip, and ratios of the external extension and shear loads. Time distributions are obtained for the plastic deformation, the effective shear stress, the stress intensity factor, and the crack growth direction under monotonic load of the crystal up to a specified limit and further relaxation to establishment of equilibrium distributions under a constant external load. Numerical calculations were performed for an α-Fe crystal.     

Analysis of the plasticizing effect of hydrogen dissolved in a crystal on the evolution of plastic deformation at the tip of a crack

The effect of interstitial hydrogen atoms on the evolution of plastic deformation in a crystal at the tip of a tensile crack is estimated taking into account gas exchange at the crack banks. It is found that, for an initial concentration of not less than 10^?4, the plasticizing effect of dissolved hydrogen causing a dislocation expulsion is significant and can be responsible (at least, partially) for plasticization. As regards the evolution of the distribution of hydrogen atoms, a monotonic drain of dissolved hydrogen atoms into the hollow of the crack is observed for concentrations below 5×10^?4, while at higher concentrations the impurity concentration at the banks of the crack varies periodically: complete drain is replaced by the accumulation of hydrogen corresponding to a “blocking” of the drain by the gas pressure. Numerical calculations are made for an α-Fe crystal.