An atomistic investigation of the kinetics of detwinning

This paper presents a “first principles” atomistic study of the dynamics of detwinning in a shape-memory alloy. In order to describe the macroscopic motion of twin boundaries, the continuum theory of twinning must be provided with a “kinetic relation”, i.e. a relation between the driving force and the propagation speed. This kinetic relation is a macroscopic characterization of the underlying atomistic processes. The goal of the present atomistic study is to provide the continuum theory with this kinetic relation by extracting the essential macroscopic features of the dynamics of the atoms. It also aims to elucidate the mechanism underlying the process of detwinning.The material studied is stoichiometric nickel-manganese, and interatomic interactions are described using three physically motivated Lennard-Jones potentials. The effect of temperature and shear stress on detwinning — specifically on the rate of transformation from one variant of martensite to the other — is examined using molecular dynamics. An explicit formula for this (kinetic) relation is obtained by fitting an analytic expression to the simulation results. The numerical experiments also verify that transverse ledge propagation is the mechanism underlying twin-boundary motion. All calculations are carried out in a two-dimensional setting.     

Remarks on the solution of extended Stokes' problems

The analytical solutions of first and second Stokes' problems are discussed, for infinite and finite-depth flows of a Newtonian fluid in planar geometries. Problems arising from the motion of the wall as a whole (one-dimensional flows) as well as of only one half of the wall (two-dimensional) are solved and the wall stresses are evaluated.The solutions are written in real form. In many cases, they improve the ones in literature, leading to simpler mathematical forms of velocities and stresses. The numerical computation of the solutions is performed by using recurrence relations and elementary integrals, in order to avoid the evaluation of integrals of rapidly oscillating functions.The main physical features of the solutions are also discussed. In particular, the steady-state solutions of the second Stokes' problems are analyzed by separating their “in phase” and “in quadrature” components, with respect to the wall motion. By using this approach, stagnation points have been found in infinite-depth flows.     

Stability of crystalline solids—I: Continuum and atomic lattice considerations

Many crystalline materials exhibit solid-to-solid martensitic phase transformations in response to certain changes in temperature or applied load. These martensitic transformations result from a change in the stability of the material's crystal structure. It is, therefore, desirable to have a detailed understanding of the possible modes through which a crystal structure may become unstable. The current work establishes the connections between three crystalline stability criteria: phonon-stability, homogenized-continuum-stability, and the presently introduced Cauchy-Born-stability criterion. Stability with respect to phonon perturbations, which probe all bounded perturbations of a uniformly deformed specimen under “hard-device” loading (i.e., all around displacement type boundary conditions) is hereby called “constrained material stability”. A more general “material stability” criterion, motivated by considering “soft” loading devices, is also introduced. This criterion considers, in addition to all bounded perturbations, all “quasi-uniform” perturbations (i.e., uniform deformations and internal atomic shifts) of a uniformly deformed specimen, and it is recommend as the relevant crystal stability criterion.     

Frequency and development of slugs in a horizontal pipe at large liquid flows

The generation of slugs was studied for air–water flow in horizontal 0.0763 m and 0.095 m pipes. The emphasis was on high liquid rates (u_LS ? 0.5 m/s) for which slugs are formed close to the entry and the time intervals between slugs are stochastic. A “fully developed” slug flow is defined as consisting of slugs with different sizes interspersed in a stratified flow with a height slightly larger than the height, h₀, needed for a slug to be stable. Properties of this “fully developed” pattern are discussed. A correlation for the frequency of slugging is suggested, which describes our data as well as the data from other laboratories for a wide range of conditions. The possibility is explored that there is a further increase of slug length beyond the “fully developed” condition because slugs slowly overtake one another.     

The thermoelastic Aldo contact model with frictional heating

In the study of the essential features of thermoelastic contact, Comninou and Dundurs (J. Therm. Stresses 3 (1980) 427) devised a simplified model, the so-called “Aldo model”, where the full 3D body is replaced by a large number of thin rods normal to the interface and insulated between each other, and the system was further reduced to 2 rods by Barber's Conjecture (ASME J. Appl. Mech. 48 (1981) 555). They studied in particular the case of heat flux at the interface driven by temperature differences of the bodies, and opposed by a contact resistance, finding possible multiple and history dependent solutions, depending on the imposed temperature differences.The Aldo model is here extended to include the presence of frictional heating. It is found that the number of solutions of the problem is still always odd, and Barber's graphical construction and the stability analysis of the previous case with no frictional heating can be extended. For any given imposed temperature difference, a critical speed is found for which the uniform pressure solution becomes non-unique and/or unstable. For one direction of the temperature difference, the uniform pressure solution is non-unique before it becomes unstable. When multiple solutions occur, outermost solutions (those involving only one rod in contact) are always stable.A full numerical analysis has been performed to explore the transient behaviour of the system, in the case of two rods of different size. In the general case of N rods, Barber's conjecture is shown to hold since there can only be two stable states for all the rods, and the reduction to two rods is always possible, a posteriori.     

On the motion of a nonholonomically constrained system in the nonresonance case

The motion of a nonlinearly nonholonomically constrained system comprised of two material points connected by a “fork” is investigated in the nonresonance case. This leads to two equations of motion; one of which is nonlinear in the system velocities. The system is shown to be integrable in the nonresonance case, and the motion is described analytically and also computed numerically for several parameter values yielding results that conform to the analytical predictions.     

On the statistical analysis of local fracture stresses in notched bars

Test results for critical local fracture stresses are analysed statistically for both “as-received” and “degraded” pressure-vessel weld metal. The values were determined from the fracture loads of blunt-notch four-point-bend specimens fractured over a range of low test temperatures, making use of results from a finite-element stress analysis of the stress-strain distributions ahead of the notch root. The “degraded” material tested in this work has been austenitized at a high temperature, followed by both prestraining and temper embrittlement. This has led to a situation in which the fracture stress for the “degraded” material is reduced significantly below that for the “as-received” material. The fracture mechanisms are different in that the “degraded” material shows evidence of intergranular fracture as well as cleavage fracture (in coarse grain size) whereas the “as-received” material shows only cleavage fracture (in fine grain size). The critical stress (σ_F) distributions plotted on normal probability paper show that the experimental cumulative distribution function (CDF) is linear for each condition with different mean values: for “as-received” material and for “degraded” material. The values of standard deviation are small and almost identical (33-). The decrease of the local fracture stress after degradation is related to the local fracture micro-mechanisms. Statistical analysis of the results for the two conditions supports the hypothesis that the values of σ_F are essentially single valued, within random experimental errors. A similar analysis of the data treating both conditions as a single population reveals some interesting points relating to statistical modelling and lower-bound estimation for mechanical properties. Comparisons are made with Weibull analysis of the data. A further conclusion is that it is extremely important to base any statistical model on inferences drawn from micro-mechanical modelling of processes, and that examination of “normal” CDFs can often provide good indications of when it is necessary to subject data to further statistical and physical analysis.     

Smart Baffle Placement for Chaotic Mixing

It is well known that fluid mixing can often be improved by the introduction of ‘baffles’ into the flow – the problem of baffle placement is examined here for chaotic fluid mixing of a highly viscous fluid. A simple model for a planetary mixer, with one stirring element, is modified by the introduction of one or more stationary baffles. Regular regions of poor mixing in the unbaffled flow are shown to be significantly reduced in size if the location of the baffles is chosen so that the flow necessarily generates ‘topological chaos’. By contrast, the positioning of baffles in superficially similar ways that do not generate such ‘topological chaos’ fails to provide a similar improvement.     

Nanomachines: a general approach to inducing a directed motion at the atomic level

The motion of bodies in a periodic potential relief with weak damping is discussed. A spontaneous directed motion of particles at a velocity unambiguously defined by the frequency of a periodic action and spatial period of the potential is shown to be possible in the presence of external periodic actions of different type. The principles of inducing the directed motion at a precisely controlled velocity discussed here can be used to develop: (i) means of handling with individual molecules or molecular clusters on crystalline surfaces; (ii) “nanomachines”—objects capable of spontaneous motion not only in the absence of the external force but also under the action of the force reverse to the direction of motion (thereby capable of carrying other particles); (iii) drives providing precisely controlled velocity of motion; (iv) controllable tribological systems by profiling of friction surfaces in a specified manner and applying an ultrasonic excitation. The dependence of the average system velocity on the average applied force (perceived as “the law of friction of the system” at the macroscopic level) is shown to have plateaus of constant velocity at a zero velocity and a set of equidistant discrete velocities in the presence of periodic external perturbations. The problem of developing fully controlled nanomachines can be formulated as the problem of controlling the width and position of the plateaus.     

Multiscale modeling of oriented thermoplastic elastomers with lamellar morphology

Thermoplastic elastomers (TPEs) are block copolymers made up of “hard” (glassy or crystalline) and “soft” (rubbery) blocks that self-organize into “domain” structures at a length scale of a few tens of nanometers. Under typical processing conditions, TPEs also develop a “polydomain” structure at the micron level that is similar to that of metal polycrystals. Therefore, from a continuum point of view, TPEs may be regarded as materials with heterogeneities at two different length scales. In this work, we propose a constitutive model for highly oriented, near-single-crystal TPEs with lamellar domain morphology. Based on small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) observations, we consider such materials to have a granular microstructure where the grains are made up of the same, perfect, lamellar structure (single crystal) with slightly different lamination directions (crystal orientations). Having identified the underlying morphology, the overall finite-deformation response of these materials is determined by means of a two-scale homogenization procedure. Interestingly, the model predictions indicate that the evolution of microstructure—especially the rotation of the layers—has a very significant, but subtle effect on the overall properties of near-single-crystal TPEs. In particular, for certain loading conditions—namely, for those with sufficiently large compressive deformations applied in the direction of the lamellae within the individual grains—the model becomes macroscopically unstable (i.e., it loses strong ellipticity). By keeping track of the evolution of the underlying microstructure, we find that such instabilities can be related to the development of “chevron” patterns.     

“Frictionless” and “frictional” ThermoElastic Dynamic Instability (TEDI) of sliding contacts

Recently, we found that a new form of coupled instability, named ThermoElastic Dynamic Instability (TEDI), can occur by interaction between frictional heating and the natural dynamic modes of sliding bodies. This is distinct from the classical dynamic instabilities (DI) which is produced by an interaction between the frictional forces at the sliding interface and the natural modes of vibration of the bodies if the friction coefficient is sufficiently high, and also from ThermoElastic Instability (TEI), which is due to the interaction of frictional heating and thermal expansion, leading for example to low pitched brake noise above some critical speed. This result was relative to an highly idealized system, comprising an elastic layer sliding over a rigid plane including both dynamic and thermoelastic effects, but neglecting shear waves at the interface due to frictional tractions (from which the denomination “frictionless TEDI”). We demonstrate here that including these shear waves destabilizes both the shear and dilatational vibration modes of the system at arbitrarily small friction coefficients and speeds, where DI and TEI are predicted to be stable. A detailed study of the new modes and transient simulations show that for low pressures and high speed, the system tends towards the results of the previous model (“frictionless TEDI”), i.e. the tendency to a state in which the layer bounces over the plane, with alternating periods of sliding contact and separation. In the case of low speeds and high pressures, viceversa, the system is dominated by the modes near the resonance of the shear and dilatational modes, with a resulting complex behaviour, but generally leading to stick-slip regimes, reducing the jumping mode of “frictionless TEDI”, because stick reduces or stops frictional heating production.     

Analytical study of spherical cloak/anti-cloak interactions

The intriguing concept of “anti-cloaking” has been recently introduced within the framework of transformation optics (TO), first as a “countermeasure” to invisibility-cloaking (i.e., to restore the scattering response of a cloaked target), and more recently in connection with “sensor invisibility” (i.e., to strongly reduce the scattering response while maintaining the field-sensing capabilities). In this paper, we extend our previous studies, which were limited to a two-dimensional cylindrical scenario, to the three-dimensional spherical case. More specifically, via a generalized (coordinate-mapped) Mie-series approach, we derive a general analytical full-wave solution pertaining to plane-wave-excited configurations featuring a spherical object surrounded by a TO-based invisibility cloak coupled via a vacuum layer to an anti-cloak, and explore the various interactions of interest. With a number of selected examples, we illustrate the cloaking and field-restoring capabilities of various configurations, highlighting similarities and differences with respect to the cylindrical case, with special emphasis on sensor-cloaking scenarios and ideas for approximate implementations that require the use of double-positive media only.     

Experimental and analytical characterization of multidimensionally braided graphite/epoxy composites

This paper presents results of an investigation of a novel, through-the-thickness fiber-reinforced composite material. The generic name for this composite technology is multidimensional (X-D) braiding. X-D braided composites consist of a net-shaped, densely braided fiber skeleton which is rigidized with a structural epoxy-resin system. This material is an alternative to the conventional laminated composite and has the potential for being more resistant to delamination and matrix cracking. This paper describes results of the mechanical characterization of one graphite fiber system which was braided into panels in which two braid parameters could be investigated. The variables investigated included the effect of edge condition and braid pattern on the tensile, compressive and flexural properties of the braided panels. These properties were obtained in the braid direction only. The cutting of the specimen edges substantially reduced both tensile and flexural strengths and moduli. Of the three braid patterns investigated, 1×1, 3×1, and 1×1×1/2 F, the 3×1 braid pattern showed superior tensile performance, while the 1×1×1/2 F braid pattern exhibited superior flexural properties. The development of an analytical method for modeling the tensile performance of the multidimensionally (X-D) braided composite is also presented. The fiber geometry in X-D braids was modeled based on the braid parameters used in the construction of these composites. By the nature of the symmetry of the resulting braided structure, an analytical model based on classical lamination theory was used to determine the extensional stiffness in the three principal geometric directions of a braided composite. These analytical results are shown to compare favorably with those obtained experimentally. Finally, to further validate the ability of this material to contain damage, multidimensionally braided and conventionally laminated panels were impacted and the resulting damage was nondestructively determined. The multidimensionally braided material was shown to reduce the area of damage caused by impact by a factor of three for the energy levels tested.     

On the overall behavior, microstructure evolution, and macroscopic stability in reinforced rubbers at large deformations: I—Theory

This work presents an analytical framework for determining the overall constitutive response of elastomers that are reinforced by rigid or compliant fibers, and are subjected to finite deformations. The framework accounts for the evolution of the underlying microstructure, including particle rotation, which results from the finite changes in geometry that are induced by the applied loading. In turn, the evolution of the microstructure can have a significant geometric softening (or hardening) effect on the overall response, leading to the possible development of macroscopic instabilities through loss of strong ellipticity of the homogenized incremental moduli. The theory is based on a recently developed “second-order” homogenization method, which makes use of information on both the first and second moments of the fields in a suitably chosen “linear comparison composite,” and generates fairly explicit estimates—linearizing properly—for the large-deformation effective response of the reinforced elastomers. More specific applications of the results developed in this paper will be presented in Part II.     

Consequences of a result on pure shear

If, in a continuum, the Cauchy stress tensor is traceless, the material is said to be in a state of “pure shear”. Here we derive consequences of a fundamental theorem concerning pure shear, in the contexts of infinitesimal strain, finite strain, and fluid motion.     

Stability analysis of unbounded uniform shear flows of dense, slightly inelastic spheres based on a frictional-kinetic theory

Asymptotic and transient stability analyses of unbounded uniform shear flows of dense, slightly inelastic, spherical particles were carried out using a frictional-kinetic theory. This model proposed for describing dense flows is based on a critical state plasticity theory and a simplified kinetic theory. In this model, the bulk and shear viscosities, the “thermal” conductivity, and the energy dissipation rate are proportional to a “mean pressure” which is composed of a quasistatic-frictional-contribution pressure considered for slow, plasticity deformations and a granular-kinetic-theorycollisional-contribution pressure. We studied two-dimensional stability analyses of layering disturbances (i.e., the perturbations whose wave number vectors are aligned only in the gradient) as well as nonlayering disturbances (the wave number vectors have nonzero streamwise components). Although this model has a simpler framework, it predicted similar results to those obtained using a more elaborate frictional-kinetic model. For instance, nonlayering disturbances are asymptotically stable at large time; the maximum transient growth of disturbances increases as the solids fraction or the friction coefficient is increased; and transient growths of disturbances can be significant due to the non-normality of the system. However, the prediction of the asymptotic stability of layering disturbances may be questionable because the collisional-contribution terms of the present model were over-simplified.     

One, no one, and one hundred thousand crack propagation laws: A generalized Barenblatt and Botvina dimensional analysis approach to fatigue crack growth

Barenblatt and Botvina with elegant dimensional analysis arguments have elucidated that Paris’ power-law is a weak form of scaling, so that the Paris’ parameters C and m should not be taken as material constants. On the contrary, they are expected to depend on all the dimensionless parameters of the problem, and are really “constants” only within some specific ranges of all these. In the present paper, the dimensional analysis approach by Barenblatt and Botvina is generalized to explore the functional dependencies of m and C on more dimensionless parameters than the original Barenblatt and Botvina, and experimental results are interpreted for a wider range of materials including both metals and concrete. In particular, we find that the size-scale dependencies of m and C and the resulting correlation between C and m are quite different for metals and for quasi-brittle materials, as it is already suggested from the fact the fatigue crack propagation processes lead to m=2-5 in metals and m=10-50 in quasi-brittle materials. Therefore, according to the concepts of complete and incomplete self-similarities, the experimentally observed breakdowns of the classical Paris’ law are discussed and interpreted within a unified theoretical framework. Finally, we show that most attempts to address the deviations from the Paris’ law or the empirical correlations between the constants can be explained with this approach. We also suggest that “incomplete similarity” corresponds to the difficulties encountered so far by the “damage tolerant” approach which, after nearly 50 years since the introduction of Paris’ law, is still not a reliable calculation of damage, as Paris himself admits in a recent review.     

Exact geometric theory for flexible,fluid-conducting tubes

Instability of flexible tubes conducting fluid, or “garden hose instability”, is a phenomenon both familiar from everyday life and important for applications, which has been actively studied. However, previous works did not consider one of the most crucial physical effects — the dynamical change of the cross-section. We show how to consistently address this issue by coupling the geometrically exact rod dynamics with the fluid motion via the use of a constrained Hamilton's variational principle. We find strong effect of this dynamics on stability, and derive a variety of exact nonlinear solutions of traveling-wave type.     

Generalization of the Lorenz model to the two-dimensional convection of second-grade fluids

We apply the truncation of the Navier-Stokes-Fourier equations which leads to the Lorenz model, to the investigation of second-grade fluids. The new set of equations proves to work as an approximated approach to 2D-convective dynamics, under the same restrictions as for Newtonian fluids. The different behaviour depends only on α₁ and consists in a “modified” Prandtl number.