Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno

We report a previously unknown body-centered-tetragonal structure for ZnO. This structure results from a phase transformation from wurtzite in [0001]-oriented nanorods during uniaxial tensile loading and is the most stable phase for ZnO when stress is above 7 GPa. The stress-induced phase transformation has important implications for the electronic, piezoelectric, mechanical, and thermal responses of ZnO. The discovery of this polymorph brings about a more complete understanding of the extent and nature of polymorphism in ZnO. A crystalline structure-load triaxiality map is developed to summarize the relationship between structure and loading.

Receptivity To Free-Stream Disturbance Waves For Hypersonic Flow Over A Blunt Cone

A high-order shock-fitting finite difference scheme is studied and used to do direction numerical simulation (DNS) of hypersonic unsteady flow over a blunt cone with fast acoustic waves in the free stream, and the receptivity problem in the blunt cone hypersonic boundary layers is studied. The results show that the acoustic waves are the strongest disturbance in the blunt cone hypersonic boundary layers. The wave modes of disturbance in the blunt cone boundary layers are first, second, and third modes which are generated and propagated downstream along the wall. The results also show that as the frequency decreases, the amplitudes of wave modes of disturbance increase, but there is a critical value. When frequency is over the critial value, the amplitudes decrease. Because of the discontinuity of curvature along the blunt cone body, the maximum amplitudes as a function of frequencies are not monotone.

Rotation Numbers Of Invariant Manifolds Around Unstable Periodic Orbits For The Diamagnetic Kepler Problem

In this paper, a method to construct topological template in terms of symbolic dynamics for the diamagnetic Kepler problem is proposed. To confirm the topological template, rotation numbers of invariant manifolds around unstable periodic orbits in a phase space are taken as an object of comparison. The rotation numbers are determined from the definition and connected with symbolic sequences encoding the periodic orbits in a reduced Poincare section. Only symbolic codes with inverse ordering in the forward mapping can contribute to the rotation of invariant manifolds around the periodic orbits. By using symbolic ordering, the reduced Poincare section is constricted along stable manifolds and a topological template, which preserves the ordering of forward sequences and can be used to extract the rotation numbers, is established. The rotation numbers computed from the topological template are the same as those computed from their original definition.

A contact crack problem in an infinite plate

The problem of an infinite plate with crack of length 2a loaded by the remote tensile stress P and a pair of concentrated forces Q is discussed. The value of the force Q for the initial contact of crack face is investigated and the contact length elevated, while the Q force increases. The problem is solved assuming that the stress intensity factor vanishes at the end point of the contact portion. By the Fredholm integral equation for the multiple cracks, the reduction of stress intensity factor due to Q is found. (C) 1999 Elsevier Science Ltd. All rights reserved.

A method to find unstable periodic orbits for the diamagnetic Kepler problem

A method to determine the admissibility of symbolic sequences and to find the unstable periodic orbits corresponding to allowed symbolic sequences for the diamagnetic Kepler problem is proposed by using the ordering of stable and unstable manifolds. By investigating the unstable periodic orbits up to length 6, a one to one correspondence between the unstable periodic orbits and their corresponding symbolic sequences is shown under the system symmetry decomposition.

Electrothermal stress in conductive body with collinear cracks

The temperature and stress field in a thin plate with collinear cracks interrupting an electric current field are determined. This is accomplished by using a complex function method that allows a direct means of finding the distribution of the electric current, the temperature and stress field. Temperature dependency for the heat-transfer coefficient, coefficient of linear expansion and the elastic modulus are considered. As an example, temperature distribution is calculated for an alloy (No. GH2132) plate with two collinear cracks under high temperature. Relationships between the stress, temperature, electric density and crack length are obtained. Crack trajectories emanating from existing crack are predicted by application of the strain energy density criterion which can also be used for finding the load carrying capacity of the cracked plate. (C) 2003 Elsevier Ltd. All rights reserved.

Supersonic dusty-gas flows with Knudsen effect in interphase momentum exchange

On the basis of the two-continuum model of dilute gas-solid suspensions, the dynamic behavior of inertial particles in supersonic dusty-gas flows past a blunt body is studied for moderate Reynolds numbers, when the Knudsen effect in the interphase momentum exchange is significant. The limits of the inertial particle deposition regime in the space of governing parameters are found numerically under the assumption of the slip and free-molecule flow regimes around particles. As a model problem, the flow structure is obtained for a supersonic dusty-gas point-source flow colliding with a hypersonic flow of pure gas. The calculations performed using the full Lagrangian approach for the near-symmetry-axis region and the free-molecular flow regime around the particles reveal a multi-layer structure of the dispersed-phase density with a sharp accumulation of the particles in some thin regions between the bow and termination shock waves.

A rigorous analytical method for doubly periodic cylindrical inclusions under longitudinal shear and its application

An infinite elastic solid containing a doubly periodic parallelogrammic array of cylindrical inclusions under longitudinal shear is studied. A rigorous and effective analytical method for exact solution is developed by using Eshelby's equivalent inclusion concept integrated with the new results from the doubly quasi-periodic Riemann boundary value problems. Numerical results show the dependence of the stress concentrations in such heterogeneous materials on the periodic microstructure parameters. The overall longitudinal shear modulus of composites with periodic distributed fibers is also studied. Several problems of practical importance, such as those of doubly periodic holes or rigid inclusions, singly periodic inclusions and single inclusion, are solved or resolved as special cases. The present method can provide benchmark results for other numerical and approximate methods. (C) 2003 Elsevier Ltd. All rights reserved.

Stress intensity factors calculation in anti-plane fracture problem by orthogonal integral extraction method based on femol

For an anti-plane problem, the differential operator is self-adjoint and the corresponding eigenfunctions belong to the Hilbert space. The orthogonal property between eigenfunctions (or between the derivatives of eigenfunctions) of anti-plane problem is exploited. We developed for the first time two sets of radius-independent orthogonal integrals for extraction of stress intensity factors (SIFs), so any order SIF can be extracted based on a certain known solution of displacement (an analytic result or a numerical result). Many numerical examples based on the finite element method of lines (FEMOL) show that the present method is very powerful and efficient.

A new N-body potential and its application

Based on the embedded atom method (EAM) proposed by Daw and Baskes and Johnson's model, this paper constructs a new N-body potential for bcc crystal Mo. The procedure of constructing the new N-body potential can be applied to other metals. The dislocation emission from a crack tip has been simulated successfully using molecular dynamics method, the result is in good agreement with the elastic solution.