Phase transitions from the solid state of monatomic elements

The principle aims of this thesis include the development of models of sublimation and melting from first principles and the application of these models to the rare gases.

A simple physical model is constructed to represent the sublimation of monatomic elements. According to this model, the solid and gas phases are two states of a single physical system. The nature of the phase transition is clearly revealed, and the relations between the vapor pressure, the latent heat, and the transition temperature are derived. The resulting theory is applied to argon, krypton, and xenon, and good agreement with experiment is found.

For the melting transition, the solid is represented by an anharmonic model and the liquid is described by the Percus-Yevick approximation. The behavior of the liquid at high densities is studied on the isotherms kT/∈ = 1.3, 1.8, and 2.0, where k is Boltzmann's constant, T is the temperature, and e is the well depth of the Lennard-Jones 12-6 pair potential. No solutions of the PercusYevick equation were found for ρσ³ above 1.3, where ρ is the particle density and σ is the radial parameter of the Lennard-Jones potential. The liquid structure is found to be very different from the solid structure near the melting line. The liquid pressures are about 50 percent low for experimental melting densities of argon. This discrepancy gives rise to melting pressures up to twice the experimental values.

A model for diffusive and displacive phase transitions: Thermo-chemo-mechanical coupling effects

A diffuse interface phase field model is proposed for the unified analysis of diffusive and displacive phase transitions under nonisothermal conditions. Two order parameters are used for the description of the phenomena: one is related to the solute mass fraction and the other to the strain. The model governing equations come from the balance of linear momentum, the solute mass balance (which will lead to the Cahn-Hilliard equation) and the balance of internal energy. Thermodynamic restrictions allow to define constitutive relations for the thermodynamic forces and for the mechanical and chemical dissipations. Numerical tests carried out at different values of the initial temperature show that the model is able to describe the main features of both the displacive and the diffusive phase transitions, as well as their effect on the temperature. © 2010, Advanced Engineering Solutions.

Quantum phase transitions in the S=1/2 distorted diamond chain

By means of the second derivative of the ground-state and first-excited energy, the quantum phase transitions (QPTs) for the distorted diamond chain (DDC) with ferromagnetic and antiferromagnetic frustrated interactions and the trimerized case are investigated, respectively. Our results show the plentiful quantum phases owing to the spin interaction competitions in the model. Meanwhile, by using the transfer-matrix renormalization-group technique, we study the two-site thermal entanglement of the DDC model in the thermodynamic limit for a further understanding of the QPTs.

Classical two-site fidelity and quantum phase transitions in the Ising model and the extended Hubbard model

In this Letter, the classical two-site-ground-state fidelity (CTGF) is exploited to identify quantum phase transitions (QPTs) for the transverse field Ising model (TFIM) and the one-dimensional extended Hubbard model (EHM). Our results show that the CTGF exhibits an abrupt change around the regions of criticality and can be used to identify QPTs in spin and fermionic systems. The method is especially convenient when it is connected with the density-matrix renormalization group (DMRG) algorithm. (C) 2008 Elsevier B.V. All rights reserved.

Effect of counterpart on the tribological behavior and tribo-induced phase transformation of Si

The tribological behaviors and phase transformation of single crystal silicon against Si3N4, Ruby and steel were investigated in this study. It was found that the strong chemical action between silicon and Fe was the key factor to the tribological behavior of silicon as slid against steel. SEM and Raman spectroscopy indicated that phase transformation of single crystal silicon occurred during the running-in period at low sliding velocity as slid against Si3N4 and Ruby. and gave birth to single or a mixture phase of Si-III, Si-XII and amorphous silicon. The high hardness of counterpart and the absence of chemical action between silicon and counterpart facilitated the phase transformation of single crystal silicon. (C) 2008 Elsevier Ltd. All rights reserved.

Density matrix Loschmidt echo and quantum phase transitions

We introduce the concept of the Loschmidt echo (LE) to the space of the reduced density matrix of spin and fermionic systems to study the density matrix LEs (DMLEs) of the one-dimensional extended Hubbard model and the transverse field Ising model. Our results show that the DMLEs are remarkably influenced by the criticality of the system, and the method is a convenient way to study quantum phase transitions.

An investigation on the pressure-induced phase transition of nanocrystalline ZnS

An in situ energy dispersive x-ray diffraction study on nanocrystalline ZnS was carried out under high pressure up to 30.8 GPa by using a diamond anvil cell. The phase transition from the wurtzite to the zinc-blende structure occurred at 11.5 GPa, and another obvious transition to a new phase with rock-salt structure also appeared at 16.0 GPa-which was higher than the value for the bulk material. The bulk modulus and the pressure derivative of nanocrystalline ZnS were derived by fitting the Birch-Murnaghan equation. The resulting modulus was higher than that of the corresponding bulk material, indicating that the nanomaterial has higher hardness than the bulk material.

Pressure-induced phase transition of nanocrystalline zinc sulfide

In situ energy dispersive X-ray diffraction measurements on nanocrystalline zinc sulfide have been performed by using diamond anvil cell with synchrotron radiation. There is a phase transition which the ultimate structure is rocksalt when the pressure is up to 16.0GPa. Comparing the structure of body materials, the pressure of the phase transition of nano zinc sulfide is high. We fit the: Birch-Murnaghan equation of state and obtained its ambient pressure bulk modulus and its pressure derivative. The bulk modulus of nanocrystalline zinc sulfide is higher than that of body materials, it indicate that the rigidity of nanocrystalline zinc sulfide is high.

Single mode and multimodes lasing emission from MEH-PPV doped polystyrene thin films with surface ripples formed by vapour-induced phase separation

We report single mode and multimodes lasing emission from conjugated polymer poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) doped polystyrene ( PS) thin films with surface ripples. Surface ripples were formed by water vapour-induced phase separation. A single mode lasing emission at 606 nm with a line-width of less than 0.4 nm was obtained. The laser threshold was as low as 3.5 mu J pulse(-1). The side mode suppression ratio was 5.76 dB. The periodic changes of the refraction index in the MEH-PPV : PS blending film due to the phase separation should be attributed to the lasing actions.

The phase transitions of hetero atoms substituted molecular sieves Me-VPI-5(Me=Mg, Ti, Sn, Si) and their influence on spectra structures of Eu(III) ion

The hetero atom substituted aluminophosphate molecular sieves Me-VPI-5(Me = Mgt Ti, Sn, Si) were synthesized hydrothermally. Rare earth ions are originally doped into these microporous materials by aqueous solution ion exchange procedures. The phase transitions of the microporous materials are investigated by high-temperature and high-pressure experimental techniques. The influence of the phase transitions on the rare earth ions' spectral structures is discussed, With the increase of temperature, Eu(II)Mg-VPI-5 is converted into Eu(II)Mg-AIPO(4)-8, then into tridymite phase. The pressure has a notable influence on Eu(II) ion's spectral structures. The spectral structures have changed regularly with the increase of pressure.

RADIATION-INDUCED PHASE-SEPARATION IN IRRADIATED PTFE

The radiation induced phase separation in PTFE as shown by the observation of separation of its melting curves was investigated in this work. The observed phase separation was found to depend on irradiation temperature and explained as being duo to radiation induced increase in disorder of its crystalline region.

AN INFRARED SPECTROSCOPIC STUDY ON THE STRUCTURAL PHASE-TRANSITIONS OF LAURYLAMMONIUM CHLORIDE

Infrared spectroscopy was used to study the structural phase, transitions of laurylammonium chloride in the temperature range from 290 to 365K. It was shown that there is a solid-solid phase transition at 339 K with a pre-transition at 327 K. The infrared spectra indicated that virgin crystals at room temperature form a well-ordered phase with all-trans hydrocarbon chains, and the lengths of N-H...Cl hydrogen bonds are different. The spectra suggested that the gauche conformers begin to appear at temperature above 327 K. The spectra at high temperature over 339 K demonstrated that the interaction between the chains decreases, the partial ''melting'' of the chains is obvious, and the hydrogen bonds (N-H...Cl) have the same lengths. The main transition and pre-transition are mainly assigned to the intramolecular and intermolecular order-disorder changes, respectively.