Employing the coherent state ansatz and the time-dependent variational principle, we obtain a partial differential equation of motion from Hamiltonian in inharmonic molecuIar crystals. By using the method of multiple scales. we reduce this equation into the envelope function and find that the amplitude function satisfied a nonlinear Schrodinger equation. Introducing the inverse scattering transformation, we gain the single-, twry and N- soliton solutions. The energy and the spatial configurations of the system are given. We also acquire the periodic wave solution and analyze its stability.

A theoretical study is developed on the evolution and mechanism of an ordering coupled phase separation, and on the origin of a resultant tweed microstructure. It is found that long-range elastic interaction among atoms with different atomic sizes plays a key role in the phase sep aration, and that the evolution of the phase separation is very similar to that Of conventional spinodal decomposition except that the separation is dependent on an elastic interaction order ing (EIO). This "EIO coupled spinodal decomposition" is shown to exhibit a periodical or tweed microstructure being accompanied by an EIO. It is also found that a large atomic size factor yields a large positive contribution of EIO to spinodal decomposition. Generally it is thermodynamically and kinetically favorable for the EIO to precede the onset of spinodal decomposition,though the former is not separable from the latter as a whole. We suggest that an initially disordered solid solution undergoes an EIO first, and then the partially ordered solid solution starts to decompose via a spinodal mechanism. Solute-enriched regions increase their degree of order along with an increase in solute content, and solute-depleted regions decrease their degree of order together with a decrease of solute content. The final microstructure is characterized by a periodical array of highly ordered solute-enriched regions and nearly disordered solute-depleted regions. The notion of EIO coupled spinodal decomposition is in general agreement with the transformation behaviour of a large number of alloy systems.

Bi2Sr2CaCu2Ox superconductor was studied by differential scanning calorimetry (DSC) and thermogravimetry (TG) in different atmospheres. It is discovered that there is a thermal anomaly in the DSC curve, associated with a weight loss in the TG curve before the melting of the sample. Careful thermal analysis and high temperature X-ray diffraction reveal that the thermal anomaly and the weight loss show an instability of the crystalline Iattice. By annealing the sample in oxygen and argon, respectively and then by TC measurement and thermal analysis, the coincidence of transition temperature with the instability is found. The coincidence is further confirmed by Y-doped 2212 phase.

Based on our structural model and a tight-binding Hamiltonian the eIectronic structure has been calculated by use of a recursion method (RM) for two models of the tetragonal DO22 and the cubic Ll2 crystal structures in Al3Ti+Cr for contrast, from which bonding characteristics have been discussed. The results for the interaction energy (IE) show that Cr prefers to replacing Al site. Cr partly replacing Al can change the IE between the atoms and make the constriction of lattice constant c and the elongation of lattice constant a for the DO22 and thereby may induce the change of crystal structure from DO22 to L12. The results for bond order integral (BOI) and IE between the atoms also show that the strong (110) directional Cr-Ti bondings are existed.Thus, Al3Ti-base intermetallic compounds with addition of the Cr atom still remain brittle.

It has been observed that period doubling route to chaos during a dislocation multiplication process exhibits universal characteristics that compare favourably with established values.

Amorphous Ni-Mo-Fe-Zn quaternary alloy coatings are developed by means of electrodeposit,and after most of zinc is leached out their electrocatalytic activity toward the hydrogen evolution reaction (HER) in alkaline media is studied using electrochemical polarization and a.c. impedance techniques. The results show these coatings have very high eIectrocatalytic activity and excellent stability. This might benefit from the increased active surface area, well-pronounced synergism as well as their amorphous structures. The HER proceeds through the Volmer-Heyrovsky mechanism with a rate-determination-step (RDS) of Volmer at high overpotentials and the HER is controlled by Heyrovsky in lower overpotential areas.

Rapidly solidified Al-Ti base alloys were prepared by melt spinning at the cooling rate about 107 K/s. The melt-spun ribbons were used to observe the dricrostructures after heat treatment.In the supersaturated Al-Tl-Si alloy, age hardening occurred after 1 h anneal in the temperature range of 4000~500℃, which seems to be attributed to the precipitation of metastable Ll2- (Al,Si)3Ti phase. However. the microhardness was relatively low because of the low v/o and the insufflcient stability of precipitates. Thus. Cr was added to Al-Ti-Si alloys in order to stabilize the microstructures and to increase the v/o of precipitate5. As a result. the alIoys containing Cr were evaluated to possess the improved properties at the service temperature.

Compact tension specimens of as-cast Al-3Zn-2Mg and Al-7Zn-2Mg (in wt pct) alloys were subjected to fracture toughness tests at room temperature according to specification5 laid down in ASTM E-399-81. It was found that increasing the Zn content, grain refinement and increasing the solidification rate lead to an increase in the fracture toughness of the material.

Molecular dynamics simulations combining potentials mapping technique have been performed to investigate the Structure of binary liquid Li-Mg alloys at a constant temperature (924 K). Pair correlation function, bond orientational order and pair analysis approach are adopted to give geometrical descriptions on atom arrangement. The trends of splitting of second-peak in pair correlation function, the orientational order parameters and evolution of various symmetries of bonded pairs, etc., vs composition have been examined. The difference and concordance between the bond-orientational order and pair anaIysis have been first given out. Based on the distribution of attractive part of potentials, it is concluded that the attractive part would dominate the characterization of structure in liquid metals. In addition, icosahedra, defective icosahedra, Frank-Kasper polyhedra and Bernal hole polyhedra formed in liquid Li-Mg alloys are also counted.

In this paper, moisture absorption characteristics of Carbon/Glass and Carbon/Aramid hybrid composites with bo types of matrices are investigated. The weight gain of the specimens are tested at 80℃. It is found that the water diffusion in hybrid composites can be described by Fickian process. The Step-by-step model and new thermal model are developed to estimate the equilibrium moisture content (Mm) and water diffusion coefficient (D) in hybrid composites using the hybrid structure parameters (hybrid ratio and hybrid intedece number). The estimated values are in good agreement with the experimental results.

A special constant deflection device for TEM has been designed and then the dislocation configuration change ahead of a loaded crack tip after corrosion or anodic dissolution for some time but before the initiation of SCC can be observed in TEM. The results showed that anodic dissolution during SCC of a type 310 stainless steel in deionized water could promote dislocation emission,multiplication and motion before the initiation of SCC.

Based on the alloy Cu55Ni45 (at pct), holding the proportion of Cu to Ni in constant and in the temperature range of 1233~1573 K, the wetting angles of CuNi-0~56 at pct Ti alloys on Si3N4 have been measured by the sessile drop method. With the increase of Ti content, the wetting angles decreased. The equilibrium wetting angle was 5° when Ti content ≥32 at pct.In the case of same Ti content, the activity of Ti in CuNiTi alloy was weaker than that in CuTi alloy The cross-section of the CuNiTi-Si3N4 interface and the elements distribution were examined by scanning electron microscope with X-ray wave-dispersion spectrometer, and the reaction products formed at the interface were determined by X-ray diffiaction analysis method.

In the paper, a new kind of electrochemical sensor was used for measuring the permeation rate of atomic hydrogen (H permeation current I) through the sensor in 5% HCI solution containing ferric ion with different concentrations. The susceptibility of brittle fracture and the fracture mechanism of UNS G10190 steel in the solution were studied by slow strain rate tensile technique (SSRT), scanning electron microscope (SEM) and cathodic and anodic polarization. The embrittlement of the steel in the solution was expressed as index of embrittlement (F%). The results showed that the fracture mechanism of the steel in 5%HCl aqueous solution containing ferric ion would be changed from hydrogen induced cracking (HIC) to anodic dissolution in nature with the increase of the concentration of ferric ion in the solution.

A computerized digital speckle-intederometry system was set up to study in-situ the influence of cathodic hydrogen charging on the crack opening displacement and on the plastic strain distribution at corrosion fatigue crack tip for the singIe-edge notched plate specimens of structural steel in 3.5%NaCl solution with an applied potential of -1400 mV (SCE). Meanwhile, the mono-directional tension tests with smooth specimens were pedermed in both air and 3.5%NaCl solution under the hydrogen charging conditions. The fracture sudece morphology from corrosion fatigue and tension was examined by SEM. The experimental results show that the existence of hydrogen in crack tip material caused an increase of both yield strength and hardening exponent and a decrease of plastic zone size at the corrosion fatigue crack tip.

On the condition of the width to thickness ratio 625 of rolled strip, the asymmetrical cold strip rolling process about the width center is studied by using computer numerical simulation method and experimental method. The simulated results of the transverse distributions of the rolling pressure. the 2-directional frictions and the front and back.tensions agree with the experimental reuslts well. It is an important discovery that the rolling pressure has three peak values across the strip width on the condition of large width to thickness ratio.

The computer simulation of Al three-dimensional crystallite containing grain boundary of special type was carried out and its behaviour under high rate loading was investigated. The molecular dynamics method was used and interaction betwen atoms was described based on pseudopotential method. Vortical character of the atom movements in the grain boundary region is realized under shear loading in certain directions. Back and forth movements of atoms in the direction which is perpendicular to the shear also arise. Amplitude of such movements is approximately equal to an interplanar distance in this direction.

The thermodynamic equation for segregation in multicomponent steels is extended from that in ternary system and the segregation amounts of Cr, C and P in the intergranular phase in a Cr-steel are estimated.