Dislocation Core Energies and Core Fields from First Principles

Ab initio calculations in bcc iron show that a screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The elastic modeling thus better reproduces the atom displacements observed in ab initio calculations. Including this core field in the computation of the elastic energy allows deriving a core energy which converges faster with the cell size, thus leading to a result which does not depend on the geometry of the dislocation array used for the simulation.Comment: DOI: 10.1103/PhysRevLett.102.05550

Prandtl’s Secondary Flows of the Second Kind. Problems of Description, Prediction, and Simulation

The occurrence of turbulent pulsations in straight pipes of noncircular cross-section leads to the situation, when the average velocity field includes not only the longitudinal component but also transverse components that form a secondary flow. This hydrodynamic phenomenon discovered at the twenties of the last century (J. Nikuradse, L. Prandtl) has been the object of active research to the present day. The intensity of the turbulent secondary flows is not high; usually, it is not greater than 2–3% of the characteristic flow velocity. Nevertheless, their contribution to the processes of transverse transfer of momentum and heat is comparable to that of turbulent pulsations. In this paper, a review of experimental, theoretical, and numerical studies of secondary flows in straight pipes and channels is given. Emphasis is placed on the issues of revealing the physical mechanisms of secondary flow formation and developing the models of the apriori assessment of their forms. The specific features of the secondary flow development in open channels and channels with inhomogeneously rough walls are touched upon. The approaches of semiempirical simulation of turbulent flows in the presence of secondary flows are discussed

Drag reduction induced by superhydrophobic surfaces in turbulent pipe flow

The drag reduction induced by superhydrophobic surfaces is investigated in a turbulent pipe flow. Wetted superhydrophobic surfaces are shown to trap gas bubbles in their asperities. This stops the liquid from coming in direct contact with the wall in that location, allowing the flow to slip over the air bubbles. We consider a well-defined texture with streamwise grooves at the walls in which the gas is expected to be entrapped. This configuration is modeled with alternating no-slip and shear-free boundary conditions at the wall. With respect to the classical turbulent pipe flow, a substantial drag reduction is observed which strongly depends on the grooves’ dimension and on the solid fraction, i.e., the ratio between the solid wall surface and the total surface of the pipe’s circumference. The drag reduction is due to the mean slip velocity at the wall which increases the flow rate at a fixed pressure drop. The enforced boundary conditions also produce peculiar turbulent structures which on the contrary decrease the flow rate. The two concurrent effects provide an overall flow rate increase as demonstrated by means of the mean axial momentum balance. This equation provides the balance between the mean pressure gradient, the Reynolds stress, the mean flow rate, and the mean slip velocity contribution

Numerical simulation of drop impingement and bouncing on a heated hydrophobic surface

The heat transfer of a single water droplet impacting on a heated hydrophobic surface is investigated numerically using a phase field method. The numerical results of the axisymmetric computations show good agreement with the dynamic spreading and subsequent bouncing of the drop observed in an experiment from literature. The influence of Weber number on heat transfer is studied by varying the drop impact velocity in the simulations. For large Weber numbers, good agreement with experimental values of the cooling effectiveness is obtained whereas for low Weber numbers no consistent trend can be identified in the simulations

Dislocation core field. I. Modeling in anisotropic linear elasticity theory

Aside from the Volterra field, dislocations create a core field, which can be modeled in linear anisotropic elasticity theory with force and dislocation dipoles. We derive an expression of the elastic energy of a dislocation taking full account of its core field and show that no cross term exists between the Volterra and the core fields. We also obtain the contribution of the core field to the dislocation interaction energy with an external stress, thus showing that dislocation can interact with a pressure. The additional force that derives from this core field contribution is proportional to the gradient of the applied stress. Such a supplementary force on dislocations may be important in high stress gradient regions, such as close to a crack tip or in a dislocation pile-up

Screw dislocation in zirconium: An ab initio study

Plasticity in zirconium is controlled by 1/3 screw dislocations gliding in the prism planes of the hexagonal close-packed structure. This prismatic and not basal glide is observed for a given set of transition metals like zirconium and is known to be related to the number of valence electrons in the d band. We use ab initio calculations based on the density functional theory to study the core structure of screw dislocations in zirconium. Dislocations are found to dissociate in the prism plane in two partial dislocations, each with a pure screw character. Ab initio calculations also show that the dissociation in the basal plane is unstable. We calculate then the Peierls barrier for a screw dislocation gliding in the prism plane and obtain a small barrier. The Peierls stress deduced from this barrier is lower than 21 MPa, which is in agreement with experimental data. The ability of an empirical potential relying on the embedded atom method (EAM) to model dislocations in zirconium is also tested against these ab initio calculations

Dynamic ductile to brittle transition in a one-dimensional model of viscoplasticity

We study two closely related, nonlinear models of a viscoplastic solid. These models capture essential features of plasticity over a wide range of strain rates and applied stresses. They exhibit inelastic strain relaxation and steady flow above a well defined yield stress. In this paper, we describe a first step in exploring the implications of these models for theories of fracture and related phenomena. We consider a one dimensional problem of decohesion from a substrate of a membrane that obeys the viscoplastic constitutive equations that we have constructed. We find that, quite generally, when the yield stress becomes smaller than some threshold value, the energy required for steady decohesion becomes a non-monotonic function of the decohesion speed. As a consequence, steady state decohesion at certain speeds becomes unstable. We believe that these results are relevant to understanding the ductile to brittle transition as well as fracture stability.Comment: 10 pages, REVTeX, 12 postscript figure

The First Survey of X-ray Flares from Gamma Ray Bursts Observed by Swift: Spectral Properties and Energetics

Observations of gamma ray bursts (GRBs) with Swift produced the initially surprising result that many bursts have large X-ray flares superimposed on the underlying afterglow. The flares were sometimes intense, had rapid rise and decay phases, and occurred late relative to the ``prompt'' phase. Some remarkable flares are observed with fluence comparable to the prompt GRB fluence. Many GRBs have several flares, which are sometimes overlapping. Short, intense, repetitive, and late flaring can be most easily understood within the context of the standard fireball model with the internal engine that powers the prompt GRB emission in an active state at late times. However, other models for flares have been proposed. Flare origin can be investigated by comparing the flare spectra to that of the afterglow and the initial prompt emission. In this work, we have analyzed all significant X-ray flares from the first 110 GRBs observed by Swift. From this sample 33 GRBs were found to have significant X-ray flares, with 77 flares that were detected above the 3$\sigma$ level. In addition to temporal analysis presented in a companion paper, a variety of spectral models have been fit to each flare. In some cases, we find that the spectral fits favor a Band function model, which is more akin to the prompt emission than to that of an afterglow. We find that the average fluence of the flares is 2.4e-7 erg/cm^2/s in the 0.2-10 keV energy band, which is approximately a factor of ten below the average prompt GRB fluence. These results, when combined with those presented in the companion paper on temporal properties of flares, supports the hypothesis that most X-ray flares are late-time activity of the internal engine that spawned the initial GRB; not an afterglow related effect.Comment: accepted by ApJ; 39 pages with 14 figures and 7 table

Nonequilibrium brittle fracture propagation: Steady state, oscillations and intermittency

A minimal model is constructed for two-dimensional fracture propagation. The heterogeneous process zone is presumed to suppress stress relaxation rate, leading to non-quasistatic behavior. Using the Yoffe solution, I construct and solve a dynamical equation for the tip stress. I discuss a generic tip velocity response to local stress and find that noise-free propagation is either at steady state or oscillatory, depending only on one material parameter. Noise gives rise to intermittency and quasi-periodicity. The theory explains the velocity oscillations and the complicated behavior seen in polymeric and amorphous brittle materials. I suggest experimental verifications and new connections between velocity measurements and material properties.Comment: To appear in Phys. Rev. Lett., 6 pages, self-contained TeX file, 3 postscript figures upon request from author at [email protected] or [email protected], http://cnls-www.lanl.gov/homepages/rafi/rafindex.htm