Nonexponential relaxations in a two-dimensional electron system in silicon

The relaxations of conductivity have been studied in a strongly disordered two-dimensional (2D) electron system in Si after excitation far from equilibrium by a rapid change of carrier density ns at low temperatures T. The dramatic and precise dependence of the relaxations on ns and T strongly suggests (a) the transition to a glassy phase as T-->0, and (b) the Coulomb interactions between 2D electrons play a dominant role in the observed out-of-equilibrium dynamics.     

High chalcocite Cu2S: a solid-liquid hybrid phase

There are materials that exist in unusual solid-liquid hybrid phases, for example, the superionics at high temperatures of 700 °C. Using ab initio molecular dynamics, we show that the intensely studied Cu(2)S high chalcocite phase is actually a solid-liquid hybrid phase which exists in relatively low temperature (>105 °C). Its formation mechanism is different from the superionics. We also show that the previously proposed atomic structure for high chalcocite is incorrect, and the low chalcocite to high chalcocite transition should be described as a sublattice solid to liquid transition.     

Temperature-dependent third cumulant of tunneling noise

Poisson statistics predicts that the shot noise in a tunnel junction has a temperature independent third cumulant e(2)I, determined solely by the mean current I. Experimental data, however, show a puzzling temperature dependence. We demonstrate theoretically that the third cumulant becomes strongly temperature dependent and may even change sign as a result of feedback from the electromagnetic environment. In the limit of a noninvasive (zero-impedance) measurement circuit in thermal equilibrium with the junction, we find that the third cumulant crosses over from e(2)I at low temperatures to -e(2)I at high temperatures.     

Predictions of dynamic behavior under pressure for two scenarios to explain water anomalies

Using Monte Carlo simulations and mean field calculations for a cell model of water we find a dynamic crossover in the orientational correlation time tau from non-Arrhenius behavior at high temperatures to Arrhenius behavior at low temperatures. This dynamic crossover is independent of whether water at very low temperature is characterized by a "liquid-liquid critical point" or by the "singularity-free" scenario. We relate tau to fluctuations of hydrogen bond network and show that the crossover found for tau for both scenarios is a consequence of the sharp change in the average number of hydrogen bonds at the temperature of the specific heat maximum. We find that the effect of pressure on the dynamics is strikingly different in the two scenarios, offering means to distinguish between them.     

A molecular dynamics investigation of the deformation mechanism and shape memory effect of epoxy shape memory polymers

Following deformation, thermally induced shape memory polymers(SMPs) have the ability to recover their original shape with a change in temperature. In this work, the thermomechanical properties and shape memory behaviors of three types of epoxy SMPs with varying curing agent contents were investigated using a molecular dynamics(MD) method. The mechanical properties under uniaxial tension at different temperatures were obtained, and the simulation results compared reasonably with experimental data. In addition, in a thermomechanical cycle, ideal shape memory effects for the three types of SMPs were revealed through the shape frozen and shape recovery responses at low and high temperatures, respectively, indicating that the recovery time is strongly influenced by the ratio of E-51 to 4,4'-Methylenedianiline.     

Fast domain wall dynamics in amorphous glass-coated microwires

Here we report on the domain wall dynamics in amorphous glass-coated FeCuNbSiB microwires measured in the temperature range from 77 up to 400 K. At low temperatures below 200 K, the domain wall velocity is proportional to the applied magnetic field. At temperatures above 200 K, two regions have been found: one with low domain wall mobility at low fields and another one with high domain wall mobility at high fields. The different regions of the domain wall dynamics are treated in terms of the change of the domain wall configuration from transversal to vortex one. Moreover, non-linear regime is shown at low fields at the temperature 373 K as a result of the domain wall interaction with the local defects.     

Dynamics of 8CB confined into porous silicon probed by incoherent neutron backscattering experiments

Confinement in the nanochannels of porous silicon strongly affects the phase behavior of the archetype liquid-crystal 4-n-octyl-4-cyanobiphenyl (8CB). A very striking phenomenon is the development of a short-range smectic order, which occurs on a very broad temperature range. It suggests in this case that quenched disorder effects add to usual finite size and surface interaction effects. We have monitored the temperature variation of the molecular dynamics of the confined fluid by incoherent quasielastic neutron scattering. A strongly reduced mobility is observed at the highest temperatures in the liquid phase, which suggests that the interfacial molecular dynamics is strongly hindered. A continuously increasing slowdown appears on cooling together with a progressive growth of the static correlation length.     

Conformational characteristics of single flexible polyelectrolyte chain

The behaviour of a flexible anionic chain of 150 univalent and negatively charged beads connected by a harmonic-like potential with each other in the presence of an equal number of positive and free counterions, is studied in molecular dynamics simulations with Langevin thermostat in a wide range of temperatures. Simulations were carried out for several values of the bending parameter, corresponding to fully flexible polyion, moderately and strongly stiff polyion as well as for the case when bend conformation is preferable to the straight one. We have found that in all cases three regimes can be distinguished, which can be characterized as “random coil”, observed at high temperatures; “extended conformation” observed at moderate temperatures (of the order of 1 in reduced units), and compact “globular conformation” attained at low temperatures. While the transition between high-temperature random and extended conformations is gradual, the transition from the extended coil to the globular state, taking place at a temperature of about 0.2 in reduced units, is of abrupt character resembling a phase transition.     

Probing the metal-insulator phase transition in the (DMEDO-EBDT)2PF6 single crystal by optical measurements

The temperature and polarization dependence of the optical reflectivity spectra of a quasi-one-dimensional 1/4-filled band system, (DMEDO-EBDT)(2)PF(6), have been investigated. We observed clear anisotropy in the electronic structures corresponding to the anisotropic transport properties. The appearance of a charge gap (E(g)?>?0.1?eV) and transfer of the spectral weight accompanied by the metal-insulator phase transition were clearly observed. In addition, a split of the intramolecular vibrational modes was observed, which strongly suggested the existence of charge disproportionation in the low temperature phase. We also observed a photoinduced reflectivity change, which implied the occurrence of a photoinduced phase transition from the low temperature insulating phase to the high temperature metallic phase.     

A comparative Raman study of 0.65(PbMg<Subscript>1/3</Subscript>Nb<Subscript>2/3</Subscript>O<Subscript>3</Subscript>) -0.35(PbTiO<Subscript>3</Subscript>) single crystal and thin film

We report a comparative Raman study of 0.65(PbMg_1/3Nb_2/3O₃)-0.35(PbTiO₃) (PMN-0.35PT) single crystal and thin film. Raman spectra investigation indicates a change in bulk from the high temperature cubic to the tetragonal phase and then to the low temperature Mc monoclinic phase. The transition temperatures are in good agreement with the ones previously observed by dielectric measurements on the same sample. In contrast, we observe no phase transition to the monoclinic phase in the PMN-0.35PT 4000 Å thick film and only a cubic to tetragonal diffuse transition has been determined at high temperature. The enhanced stability of the tetragonal phase and the absence of low temperature monoclinic phase have been attributed to the in plane strain.     

Chiral phase transition from string theory

The low energy dynamics of a certain D-brane configuration in string theory is described at weak t'Hooft coupling by a nonlocal version of the Nambu-Jona-Lasinio model. We study this system at finite temperature and strong t'Hooft coupling, using the string theory dual. We show that for sufficiently low temperatures chiral symmetry is broken, while for temperatures larger then the critical value, it gets restored. We compute the latent heat and observe that the phase transition is of the first order.     

Quantum phase transitions in the itinerant ferromagnet ZrZn2

We report a study of the ferromagnetism of ZrZn2, the most promising material to exhibit ferromagnetic quantum criticality, at low temperatures T as a function of pressure p. We find that the ordered ferromagnetic moment disappears discontinuously at p(c)=16.5 kbar. Thus a tricritical point separates a line of first order ferromagnetic transitions from second order (continuous) transitions at higher temperature. We also identify two lines of transitions of the magnetization isotherms up to 12 T in the p-T plane where the derivative of the magnetization changes rapidly. These quantum phase transitions (QPT) establish a high sensitivity to local minima in the free energy in ZrZn2, thus strongly suggesting that QPT in itinerant ferromagnets are always first order.     

Second order Raman spectrum and phase transition in InSe

The Raman spectrum of InSe was taken at room temperature and at liquid nitrogen temperature. We found that the TO (199 cm^?1) and LO (212 cm^?1) modes, together with their overtones and combinations at 400, 416 and 423 cm^?1 disappeared at lower temperatures. We attribute the vanishing of these modes at low temperatures to a change of phase from ? to β polytype.     

High-temperature dynamics of surface magnetism in iron thin films

Finite-temperature magnetic properties of iron thin films are investigated by computer simulation over a broad range of temperatures up to the point of the ferromagnetic–paramagnetic phase transition. The coupled dynamics of atoms and magnetic moments is treated using the large-scale spin–lattice dynamics (SLD) algorithm. We investigate surface and bulk magnetic properties of iron, and how these properties vary as a function of temperature, film thickness and surface crystallography. We find that magnetization at surfaces is enhanced at low temperatures and suppressed at higher temperatures, in agreement with experimental observations. The effective Curie temperature of a film decreases as a function of thickness. Short-range magnetic order and non-vanishing spin–spin spatial correlations are found above the Curie temperature. The spin autocorrelation functions exhibit slower oscillations with longer decoherence times near the surface. We also find that the directional spin disorder has a significant effect on the surface strain.     

Twinning to slip transition in ultrathin BCC Fe nanowires

We report twinning to slip transition with decreasing size and increasing temperature in ultrathin <100> BCC Fe nanowires. Molecular dynamics simulations have been performed on different nanowire size in the range 0.404–3.634 nm at temperatures ranging from 10 to 900 K. The results indicate that slip mode dominates at low sizes and high temperatures, while deformation twinning is promoted at high sizes and low temperatures. The temperature, at which the nanowires show twinning to slip transition, increases with increasing size. The different modes of deformation are also reflected appropriately in the respective stress–strain behaviour of the nanowires.     

Phase transitions in CuBiP2Se6 crystals

Investigation results of dielectric (20?Hz–1?MHz) properties of layered CuBiP₂Se₆ crystals are presented. The temperature dependence of the static dielectric permittivity reveals the first-order “displacive” antiferroelectric phase transition at T _c?=?136?K. In the paraelectric phase, at low frequencies, dielectric spectra are highly influenced by the high ionic conductivity with the activation energy of 2473?K (0.21?eV). In the antiferroelectric phase the electrical conductivity and its activation energy (531.1?K (0.045?eV)) are considerably smaller. At low temperatures, the temperature behaviour of the distribution of relaxation times reveals complex freezing phenomena. A part of long relaxation time distribution is strongly affected by external direct current (DC) electric field and it is obviously caused by antiferroelectric domain dynamics.     

二元Lennard-Jones液体的相分离过程及其扩散性质的分子动力学研究

采用分子动力学(MD)模拟方法,研究了二元体系中相分离过程、粒子的扩散系数以及相分离域尺寸大小随温度的变化规律.发现,相分离域随温度的生长过程可以分为两个阶段,分别是温度比较高的快速生长阶段和低温时的稳定生长阶段;相分离体系中系统的扩散激活能不是常数,而是一个随温度变化的函数,并且当温度高于60 K时,满足关系式E(T)=a+bT^c.讨论了组元尺寸的变化对相分离过程的影响.结果表明,随两组元中某一组元 关键词： 相分离 扩散 分子动力学模拟     

Melting of bosonic stripes

We use quantum Monte Carlo simulations to determine the finite temperature phase diagram and to investigate the thermal and quantum melting of stripe phases in a two-dimensional hard-core boson model. At half filling and low temperatures the stripes melt at a first order transition. In the doped system, the melting transitions of the smectic phase at high temperatures and the superfluid smectic (supersolid) phase at low temperatures are either very weakly first order, or of second order with no clear indications for an intermediate nematic phase.