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Turab Lookman

Publications and source records attributed to Turab Lookman.

36 records · Page 2Linked to original sources

Effective Temperature Thermodynamics and the Glass Transition: Connecting Time-Scales

We propose a theory based on simple physical arguments that describes a non equilibrium steady-state by a temperature-like parameter (an "effective temperature"). We show how one can predict the effective temperature as a function of the temperature of the environment for a specific case of non-equilibrium behavior: radiation amorphization. The main idea that we present is that the amorphization process is inherently connected to the dynamical arrest that a liquid undergoes when it transforms into a glass. We suggest that similar arguments may hold also for the effective temperature under plastic deformation.

cond-mat.stat-mech

Microstructure from ferroelastic transitions using strain pseudospin clock models in two and three dimensions: a local mean-field analysis

We show how microstructure can arise in first-order ferroelastic structural transitions, in two and three spatial dimensions, through a local meanfield approximation of their pseudospin hamiltonians, that include anisotropic elastic interactions. Such transitions have symmetry-selected physical strains as their $N_{OP}$-component order parameters, with Landau free energies that have a single zero-strain 'austenite' minimum at high temperatures, and spontaneous-strain 'martensite' minima of $N_V$ structural variants at low temperatures. In a reduced description, the strains at Landau minima induce temperature-dependent, clock-like $\mathbb{Z}_{N_V +1}$ hamiltonians, with $N_{OP}$-component strain-pseudospin vectors ${\vec S}$ pointing to $N_V + 1$ discrete values (including zero). We study elastic texturing in five such first-order structural transitions through a local meanfield approximation of their pseudospin hamiltonians, that include the powerlaw interactions. As a prototype, we consider the two-variant square/rectangle transition, with a one-component, pseudospin taking $N_V +1 =3$ values of $S= 0, \pm 1$, as in a generalized Blume-Capel model. We then consider transitions with two-component ($N_{OP} = 2$) pseudospins: the equilateral to centred-rectangle ($N_V =3$); the square to oblique polygon ($N_V =4$); the triangle to oblique ($N_V =6$) transitions; and finally the 3D cubic to tetragonal transition ($ N_V =3$). The local meanfield solutions in 2D and 3D yield oriented domain-walls patterns as from continuous-variable strain dynamics, showing the discrete-variable models capture the essential ferroelastic texturings. Other related hamiltonians illustrate that structural-transitions in materials science can be the source of interesting spin models in statistical mechanics.

cond-mat.mtrl-sci

Thermodynamic theory of dislocation-mediated plasticity

We reformulate the theory of polycrystalline plasticity, in externally driven, nonequilibrium situations, by writing equations of motion for the flow of energy and entropy associated with dislocations. Within this general framework, and using a minimal model of thermally assisted depinning with essentially only one adjustable parameter, we find that our theory fits the strain-hardening data for Cu over a wide range of temperatures and six decades of strain rate. We predict the transition between stage II and stage III hardening, including the observation that this transition occurs at smaller strains for higher temperatures. We also explain why strain-rate hardening is very weak up to large rates; and, with just one additional number, we accurately predict the crossover to power-law rate hardening in the strong-shock regime. Our analysis differs in several important respects from conventional dislocation-mediated continuum theories. We provide some historical background and discuss our rationale for these differences.

cond-mat.mtrl-sci

Thermally Induced Local Failures in Quasi-One-Dimensional Systems: Collapse in Carbon Nanotubes, Necking in Nanowires and Opening of Bubbles in DNA

We present a general framework to explore thermally activated failures in quasi one dimensional systems. We apply it to the collapse of carbon nanotubes, the formation of bottlenecks in nanowires, both of which limit conductance, and the opening of local regions or "bubbles" of base pairs in strands of DNA that are relevant for transcription and danaturation. We predict an exponential behavior for the probability of the opening of bubbles in DNA, the average distance between flattened regions of a nanotube or necking in a nanowire as a monotonically decreasing function of temperature, and compute a temperature below which these events become extremely rare. These findings are difficult to obtain numerically, however, they could be accessible experimentally.

cond-mat.mes-hall

Thermal Stability of Strained Nanowires

Stranski-Krastanov strained islands undergo a shape anisotropy transition as they grow in size, finally evolving toward nanowires. This effect has been explained until now via simple energetic models that neglect thermodynamics. We investigate theoretically the stability of strained nanowires under thermal fluctuations of the long side. We find phase transitions from nanowires back to nanoislands as the temperature is increased and as the height of the nanostructure is raised or lowered and we predict regions of phase coexistence. Our results are general, but explain recent data on the growth of erbium silicide on a vicinal Si surface.

cond-mat.mes-hall

Numerical Method for Hydrodynamic Transport of Inhomogeneous Polymer Melts

We introduce a mesoscale method for simulating hydrodynamic transport and self assembly of inhomogeneous polymer melts in pressure driven and drag induced flows. This method extends dynamic self consistent field theory (DSCFT) into the hydrodynamic regime where bulk material transport and viscoelastic effects play a significant role. The method combines four distinct components as a single coupled system, including (1) non-equilibrium self consistent field theory describing block copolymer self-assembly, (2) multi-fluid Navier-Stokes type hydrodynamics for tracking material transport, (3) constitutive equations modeling viscoelastic phase separation, and (4) rigid wall fields which represent moving channel boundaries, machine components, and nano-particulate fillers. We also present an efficient, pseudospectral implementation for this set of coupled equations which enables practical application of the model in periodic domains. We validate the model by reproducing well known phenomena including equilibrium diblock meso-phases, analytic Stokes flows, and viscoelastic phase separation of glassy/elastic polymer melts. We also demonstrate the stability and accuracy of the numerical implementation by examining its convergence under grid-size refinement.

cond-mat.soft

Hydrodynamic Self-Consistent Field Theory for Inhomogeneous Polymer Melts

We introduce a mesoscale technique for simulating the structure and rheology of block copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self consistent field theory (DSCFT) with continuum hydrodynamics and flow penalization to simulate polymeric fluid flows in channels of arbitrary geometry. We demonstrate the method by studying phase separation of an ABC triblock copolymer melt in a sub-micron channel with neutral wall wetting conditions. We find that surface wetting effects and shear effects compete, producing wall-perpendicular lamellae in the absence of flow, and wall-parallel lamellae in cases where the shear rate exceeds some critical Weissenberg number.

cond-mat.soft

Domain Size Dependence of Piezoelectric Properties of Ferroelectrics

The domain size dependence of piezoelectric properties of ferroelectrics is investigated using a continuum Ginzburg-Landau model that incorporates the long-range elastic and electrostatic interactions. Microstructures with desired domain sizes are created by quenching from the paraelectric phase by biasing the initial conditions. Three different two-dimensional microstructures with different sizes of the $90^{o}$ domains are simulated. An electric field is applied along the polar as well as non-polar directions and the piezoelectric response is simulated as a function of domain size for both cases. The simulations show that the piezoelectric coefficients are enhanced by reducing the domain size, consistent with recent experimental results of Wada and Tsurumi (Brit. Ceram. Trans. {\bf 103}, 93, 2004) on domain engineered $BaTiO_{3} $

cond-mat.mtrl-sci

Viscoelastic Properties of Dynamically Asymmetric Binary Fluids Under Shear Flow

We study theoretically the viscoelastic properties of sheared binary fluids that have strong dynamical asymmetry between the two components. The dynamical asymmetry arises due to asymmetry between the viscoelastic stresses, particularly the bulk stress. Our calculations are based on the two-fluid model that incorporates the asymmetric stress distribution. We simulate the phase separation process under an externally imposed shear and compare the asymmetric case with the usual phase separation under a shear flow without viscoelastic effects. We also simulate the behavior of phase separated stable morphologies under applied shear and compute the stress relaxation.

cond-mat.soft

Landau Theory For Shape Memory Polycrystals

We propose a Ginzburg-Landau theory for the elastic properties of shape memory polycrystals. A single crystal elastic free energy for a system that undergoes a square-to-rectangle transformation is generalized to a polycrystal by introducing a crystal orientational field that is determined from a continuum phase field model. The coupled system is used to study domain morphology and mechanical properties of shape memory alloys in different temperature regimes.

cond-mat.mtrl-sci

Electromechanical Properties of Multi-Domain Ferroelectrics

We study theoretically the influence of the underlying domain microstructure on the electromechanical properties of ferroelectrics. Our calculations are based on a continuum approach that incorporates the long-range elastic and electrostatic interactions. The theory is used to simulate the piezoelectric properties of a two dimensional model ferroelectric crystal. Simulation results indicate that the electromechanical response of the ferroelectric is strongly dependent on the domain microsctructure, including domain walls. This is particularly true for the case when an electric field is applied along a non-polar direction.

cond-mat.mtrl-sci

Elastic Deformation of Polycrystals

We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility induced long-range interaction between grains. The coupling of crystal orientation and elastic interactions allows for the rotation of individual grains by an external load. We apply the model to simulate uniaxial tensile loading of a 2D polycrystal within linear elasticity and a system with elastic anharmonicities that describe structural phase transformations. We investigate the constitutive response of the polycrystal and compare it to that of single crystals with crystallographic orientations that form the polycrystal.

cond-mat.mtrl-sci

Glassy behavior in systems with Kac-type step-function interaction

We study a system with a weak, long-range repulsive Kac-type step-function interaction within the framework of a replicated effective $ϕ^4$-theory. The occurrence of extensive configurational entropy, or an exponentially large number of metastable minima in the free energy (characteristic of a glassy state), is demonstrated. The underlying mechanism of mesoscopic patterning and defect organizations is discussed.

cond-mat.soft

Phase transition induced hydrodynamic instability and Langmuir-Blodgett Deposition

We propose a model to understand periodic oscillations relevant to the origin of mesoscopic channels formed during a Langmuir-Blodgett deposition observed in recent experiments \{M. Gleiche, L.F. Chi, and H. Fuchs, Nature {\bf 403}, 173 (2000)\}. We numerically study one-dimensional flow of a van der Waals fluid near its discontinuous liquid-gas transition and find that steady-state flow becomes unstable in the vicinity of the phase transition. Instabilities leading to complex periodic density-oscillations are demonstrated at some suitably chosen sets of parameters.

cond-mat.soft

Bogomol'nyi Decomposition for Vesicles of Arbitrary Genus

We apply the Bogomol'nyi technique, which is usually invoked in the study of solitons or models with topological invariants, to the case of elastic energy of vesicles. We show that spontaneous bending contribution caused by any deformation from metastable bending shapes falls in two distinct topological sets: shapes of spherical topology and shapes of non-spherical topology experience respectively a deviatoric bending contribution a la Fischer and a mean curvature bending contribution a la Helfrich. In other words, topology may be considered to describe bending phenomena. Besides, we calculate the bending energy per genus and the bending closure energy regardless of the shape of the vesicle. As an illustration we briefly consider geometrical frustration phenomena experienced by magnetically coated vesicles.

cond-mat.soft

Growth Kinetics in Multicomponent Fluids

The hydrodynamic effects on the late stage kinetics in spinodal decomposition of multicomponent fluids are examined using a lattice Boltzmann scheme with stochastic fluctuations in the fluid and at the interface. In two dimensions, the three and four component immiscible fluid mixture (with a $1024^2$ lattice) behaves like an off-critical binary fluid with an estimated domain growth of $t^{0.4\pm.03}$ rather than $t^{1/3}$ as previously predicted, showing the significant influence of hydrodynamics. In three dimensions (with a $256^3$ lattice), we estimate the growth as $t^{0.96\pm0.05}$ for both critical and off-critical quenching, in agreement with phenomenological theory.

comp-gas

Statistical error in a chord estimator of correlation dimension: the ``rule of five''

The statistical precision of a chord method for estimating fractal dimension from a correlation integral is derived. The optimal chord length is determined, and a comparison is made to other estimators. These calculations use the approximation that all pairwise distances between the points are statistically independent; the adequacy of this approximation is assessed numerically. The chord method provides a very quick and easy dimension estimate which is only slightly less precise than the optimal estimator. Keywords: correlation dimension, statistical error

comp-gas