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We derive exact results for the fluctuations in energy produced by microscopic disorder in near-crystalline athermal systems. Our formalism captures the heterogeneity in the elastic energy of polydispersed soft disks in energy-minimized configurations. We use this to predict the distribution of interaction energy between two defects in a disordered background. We show this interaction energy displays an average power-law behaviour $\langle \delta E \rangle \sim \Delta^{-4}$ at large distances $\Delta$ between the defects. These interactions upon disorder average also display the sixfold symmetry of the underlying reference crystal. Additionally, we show that the fluctuations in the interaction energy encode the athermal correlations introduced by the disordered background. We verify our predictions with energy minimized configurations of polydispersed soft disks in two dimensions., Comment: 5 pages, 3 figures, +Supplemental Material

We propose an algorithm for creating stable, ordered, swarms of active robotic agents arranged in any given pattern. The strategy involves suppressing a class of fluctuations known as "non-affine" displacements, viz. those involving non-linear deformations of a reference pattern, while all (or most) affine deformations are allowed. We show that this can be achieved using precisely calculated, fluctuating, thrust forces associated with a vanishing average power input. A surprising outcome of our study is that once the structure of the swarm is maintained at steady state, the statistics of the underlying flow field is determined solely from the statistics of the forces needed to stabilize the swarm.

We study the deformation of a fluctuating crystalline sheet confined between two flat rigid walls as a simple model for layered solids where bonds among atoms {\it within} the same layer are much stronger than those {\it between} layers. When subjected to sufficiently high loads in an appropriate geometry, these solids deform and fail in unconventional ways. Recent experiments suggest that configurations named {\it ripplocations}, where a layer folds backwards over itself, are involved. These structures are distinct and separated by large free energy barriers from smooth {\it ripples} of the atomic layers that are always present at any non-zero temperature. We use Monte Carlo simulation in combination with an umbrella sampling technique to obtain conditions under which such structures form and study their specific experimental signatures., Comment: 8 pages, 7 figures

We analyze the fluctuations in particle positions and inter-particle forces in disordered jammed crystals in the limit of weak disorder. We demonstrate that such athermal systems are fundamentally different from their thermal counterparts, characterized by constrained fluctuations of forces perpendicular to the lattice directions. We develop a disorder perturbation expansion in polydispersity about the crystalline state, which we use to derive exact results to linear order. We show that constrained fluctuations result as a consequence of local force balance conditions, and are characterized by non-Gaussian distributions which we derive exactly. We analytically predict several properties of such systems, including the scaling of the average coordination with polydispersity and packing fraction, which we verify with numerical simulations using soft disks with one-sided harmonic interactions., Comment: 5 pages, 4 figures, +Supplemental Material

Experiments and simulations show that when an initially defect free rigid crystal is subjected to deformation at a constant rate, irreversible plastic flow commences at the so-called {\em yield point}. The yield point is a weak function of the deformation rate, which is usually expressed as a power law with an extremely small non-universal exponent. We re-analyze a representative set of published data on nanometer sized, mostly defect free, Cu, Ni and Au crystals in the light of a recently proposed theory of yielding based on nucleation of stable stress-free regions inside the metastable rigid solid. The single relation derived here, which is {\em not} a power law, explains data covering {\em fifteen} orders of magnitude in time scales., Comment: 5 pages, 2 figures

We generalize, and then use, a recently introduced formalism to study thermal fluctuations of atomic displacements in several two and three dimensional crystals. We study both close packed as well as open crystals with multi atom bases. Atomic displacement fluctuations in a solid, once coarse-grained over some neighborhood may be decomposed into two mutually orthogonal components. In any dimension $d$ there are always $d^2$ {\em affine} displacements representing local strains and rotations of the ideal reference configuration. In addition, there exists a number of {\em non-affine} localized displacement modes that cannot be represented as strains or rotations. The number of these modes depends on $d$ and the size of the coarse graining region. All thermodynamic averages and correlation functions concerning the affine and non-affine displacements may be computed within a harmonic theory. We show that for compact crystals, such as the square and triangular in $d=2$ and the simple, body-centered and face-centered cubic crystals in $d=3$, a single set of $d-$fold degenerate modes always dominate the non-affine sub-space and are separated from the rest by a large gap. These modes may be identified with specific precursor configurations that lead to lattice defects. Deformation mechanisms such as lattice slips and stacking faults in close packed crystals can also be understood within this framework. The qualitative features of these conclusions are expected to be independent of the details of the atomic interactions.

Snapshots of colloidal particles moving on disordered two-dimensional substrates can be used to extract equal-time many-body correlations in their positions. To understand the systematics of these correlations, we perform Monte Carlo simulations of a two-dimensional model fluid placed in a quenched disordered background. We use configurations generated from these simulations to compute translational and orientational two-point correlations at equal time, concentrating on correlations in local orientational order as a function of density and disorder strength. We calculate both the disorder averaged version of conventional two-point correlation functions for orientational order, as well as the disorder averaged version of a novel correlation function of time-averaged disorder-induced inhomogeneities in local orientation analogous to the Edwards-Anderson correlation function in spin systems. We demonstrate that these correlations can exhibit interesting non-monotonic behavior in proximity to the underlying fluid-solid transition and suggest that this prediction should be experimentally accessible., Comment: 9 pages, 5 figures

We show that a flat two dimensional network of connected vertices, when stretched, may deform plastically by producing `pleats'; system spanning linear structures with width comparable to the lattice spacing, where the network overlaps on itself. To understand the pleating process, we introduce an external field that couples to local {\em non-affine} displacements, i.e. those displacements of neighbouring vertices that cannot be represented as a local affine strain. We obtain both zero and finite temperature phase diagrams in the strain -- field plane. Pleats occur here as a result of an equilibrium first-order transition from the homogeneous network to a heterogeneous phase where stress is localised within pleats and eliminated elsewhere. We show that in the thermodynamic limit the un-pleated state is always metastable at vanishing field for infinitesimal strain. Plastic deformation of the initially homogeneous network is akin to the decay of a metastable phase via a dynamical transition. We make predictions concerning local stress distributions and thermal effects associated with pleats which may be observable in suitable experimental systems., Comment: 9 pages, 10 figures

Customarily, crystalline solids are defined to be {\em rigid} since they resist changes of shape determined by their boundaries. However, rigid solids cannot exist in the thermodynamic limit where boundaries become irrelevant. Particles in the solid may rearrange to adjust to shape changes eliminating stress without destroying crystalline order. Rigidity is therefore valid only in the {\em metastable} state that emerges because these particle rearrangements in response to a deformation, or strain, are associated with slow collective processes. Here, we show that a thermodynamic collective variable may be used to quantify particle rearrangements that occur as a solid is deformed at zero strain rate. Advanced Monte Carlo simulation techniques are then employed to obtain the equilibrium free energy as a function of this variable. Our results lead to a new view on rigidity: While at zero strain a rigid crystal coexists with one that responds to infinitesimal strain by rearranging particles and expelling stress, at finite strain the rigid crystal is metastable, associated with a free energy barrier that decreases with increasing strain. The rigid phase becomes thermodynamically stable by switching on an external field, which penalises particle rearrangements. This produces a line of first-order phase transitions in the field - strain plane that intersects the origin. Failure of a solid once strained beyond its elastic limit is associated with kinetic decay processes of the metastable rigid crystal deformed with a finite strain rate. These processes can be understood in quantitative detail using our computed phase diagram as reference., Comment: 11 pages, 7 figures

We show that dynamic, feed-back controlled optical traps, whose positions depend on the instantaneous local configuration of particles in a pre-determined way, can stabilise colloidal particles in finite lattices of ${\it any}$ given symmetry. Unlike in a static template, the crystal so formed is translationally invariant and retains all possible zero energy modes. We demonstrate this ${\it in-silico}$ by stabilising the unstable two-dimensional ${\it square}$ lattice in a model soft solid with isotropic interactions.

We present a framework to segregate the roles of elastic and non-elastic deformations in the examination of real-space experiments of solid-solid Martensitic transitions. The Martensitic transformation of a body-centred-tetragonal(BCT) to a body-centred-orthorhombic(BCO) crystal structure has been studied in a model system of micron-scale ionic microgel colloids. Non-affine fluctuations, i.e., displacement fluctuations that do not arise from purely elastic(affine) deformations, are detected in particle configurations acquired from the experiment. Tracking these fluctuations serves as a highly sensitive tool in signaling the onset of the Martensitic transition and precisely locating particle rearrangements occurring at length scales of a few particle diameters. Particle rearrangements associated with non-affine displacement modes become increasingly favorable during the transformation process. The nature of the displacement fluctuation modes that govern the transformation are shown to be different from those predominant in an equilibrium crystal. We show that BCO crystallites formed through shear may, remarkably, co-exist with those resulting from local rearrangements within the same sample.

Thermal displacement fluctuations in a crystal may be classified as either "affine" or "non-affine". While the former couples to external stress with familiar consequences, the response of a crystal when {\em non-affine} displacements are enhanced using the thermodynamically conjugate field, is relatively less studied. We examine this using a simple model of a crystal in two dimensions for which analytical calculations are possible. Enhancing non-affine fluctuations destabilises the crystal. The population of small frequency phonon modes increases, with the phonon density of states shifting, as a whole, towards zero frequency. Even though the crystal is free of disorder, we observe growing length and time scales. Our results, which may have implications for the glass transition and structural phase transitions in solids, are compared to molecular dynamics simulations. Possibility of experimental verification of these results is also discussed., Comment: submitted to the Journal of Chemical Sciences, special issue in the memory of Prof. Charusita Chakravarty. arXiv admin note: text overlap with arXiv:1603.05092

We describe a phase transition that gives rise to structurally non-trivial states in a two-dimensional ordered network of particles connected by harmonic bonds. Monte Carlo simulations reveal that the network supports, apart from the homogeneous phase, a number of heterogeneous "pleated" phases, which can be stabilised by an external field. This field is conjugate to a global collective variable quantifying "non-affineness", i.e.~the deviation of local particle displacements from local affine deformation. In the pleated phase, stress is localised in ordered rows of pleats and eliminated from the rest of the lattice. The {\em kinetics} of the phase transition is unobservably slow in molecular dynamics simulation near coexistence, due to very large free energy barriers. When the external field is increased further to lower these barriers, the network exhibits rich dynamic behaviour: it transforms into a {\em metastable} phase with the stress now localised in a {\em disordered} arrangement of pleats. The pattern of pleats shows ageing dynamics and slow relaxation to equilibrium. Our predictions may be checked by experiments on tethered colloidal solids in dynamic laser traps., Comment: 10 pages, 8 figures

We demonstrate that plastic deformation in solids is associated with a dynamic transition that is reminiscent to the transition from a superconducting to a mixed phase in Type II superconductors. We report analytic calculations, extensive molecular dynamics and sequential umbrella sampling Monte Carlo simulations of a two dimensional triangular crystalline solid undergoing plastic deformation under strain. The solid consists of particles connected by harmonic springs. Non-affine displacement fluctuations of the solid are enhanced using an external field, causing a rich deformation behaviour. The external field leads to a mixed phase, where defect and stress-free crystallites are surrounded by a network of amorphous regions with large local internal stress --- a "stress Meissner" effect. The transition shows slow ageing dynamics caused by the presence of many competing, non-crystalline free-energy minima. Under uniform uniaxial strain, this amorphization transition gives rise to irreversible plastic deformation with the amorphous regions appearing as band-like structures. Our results may be checked by careful experiments on colloidal crystals using holographic optical tweezers., Comment: This paper has been replaced by arxiv:1612.00574 which is an updated version which presents a somewhat different interpretation to some of the same results

The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers. In this study, we present results of {\em in silico} mechanical deformation experiments from two very different model solids in two and three dimensions. The first consists of particles interacting with isotropic potentials and the other has strongly direction dependent interactions. We show that in both cases, the excess vibrational density of states is the fundamental quantity which characterises the ductility of the material. Our results can be checked using careful experiments on colloidal solids.

Certain localised displacement fluctuations in the planar honeycomb lattice may be identified as precursors to topological defects. We show that these fluctuations are among the most pronounced {\em non-affine} distortions of an elemental coarse graining volume of the honeycomb structure at non zero temperatures. We obtain the statistics of these precursor modes in the canonical ensemble, evaluating exactly their single point and two-point spatio-temporal distributions, for a lattice with harmonic nearest neighbour and next near neighbour bonds. As the solid is destabilised by tuning interactions, the precursor fluctuations diverge and correlations become long-lived and long-ranged., Comment: 14 pages, 7 figures, IOP format

Coarse-graining atomic displacements in a solid produces both local affine strains and "non-affine" fluctuations. Here we study the equilibrium dynamics of these coarse grained quantities to obtain space-time dependent correlation functions. We show how a subset of these thermally excited, non-affine fluctuations act as precursors for the nucleation of lattice defects and suggest how defect probabilities may be altered by an {\it experimentally realisable} "external" field conjugate to the global non-affinity parameter. Our results are amenable to verification in experiments on colloidal crystals using commonly available holographic laser tweezer and video microscopy techniques, and may lead to simple ways of controlling the defect density of a colloidal solid., Comment: Some typos in the earlier arXiv version as well as in the final published paper have been corrected here

We study the phase ordering dynamics of a two dimensional model colloidal solid using molecular dynamics simulations. The colloid particles interact with each other with a Hamaker potential modified by the presence of equatorial "patches" of attractive and negative regions. The total interaction potential between two such colloids is, therefore, strongly directional and has three-fold symmetry. Working in the canonical ensemble, we determine the tentative phase diagram in the density-temperature plane which features three distinct crystalline ground states viz, a low density honeycomb solid followed by a rectangular solid at higher density, which eventually transforms to a close packed triangular structure as the density is increased further. We show that when cooled rapidly from the liquid phase along isochores, the system undergoes a transition to a "strong glass" while slow cooling gives rise to crystalline phases. We claim that geometrical frustration arising from the presence of many crystalline ground states causes glassy ordering and dynamics in this solid. Our results may be easily confirmed by suitable experiments on patchy colloids., Comment: 10 pages, 11 figures

A crystalline solid exhibits thermally induced localised {\em non-affine} droplets in the absence of external stress. Here we show that upon an imposed shear, the size of these droplets grow until they percolate at a critical strain, well {\em below} the value at which the solid begins to yield. This critical point does not manifest in bulk thermodynamic or mechanical properties, but is {\em hidden} and reveals itself in the onset of inhomogeneities in elastic moduli, marked changes in the appearance and local properties of non-affine droplets and a sudden enhancement in defect pair concentration. Slow relaxation of stress and an-elasticity appear as observable dynamical consequences of this hidden criticality. Our results may be directly verified in colloidal crystals with video microscopy techniques but are expected to have more general validity., Comment: Submission contains manuscript (10 pages) and supplementary information (4 pages) in the same file. Revised manuscript contains new figures and text

A systematic coarse graining of microscopic atomic displacements generates a local elastic deformation tensor ${\mathsf D}$ as well as a positive definite scalar $\chi$ measuring non-affinity, i.e. the extent to which the displacements are not representable as affine deformations of a reference crystal. We perform an exact calculation of the statistics of $\chi$ and ${\mathsf D}$ and their spatial correlations for solids at low temperatures, within a harmonic approximation and in one and two dimensions. We obtain the joint distribution $P(\chi, {\mathsf D})$ and the two point spatial correlation functions for $\chi$ and ${\mathsf D}$. We show that non-affine and affine deformations are coupled even in a harmonic solid, with a strength that depends on the size of the coarse graining volume $\Omega$ and dimensionality. As a corollary to our work, we identify the field, $h_{\chi}$, conjugate to $\chi$ and show that this field may be tuned to produce a transition to a state where the ensemble average, $<\chi>$, and the correlation length of $\chi$ diverge. Our work should be useful as a template for understanding non-affine displacements in realistic systems with or without disorder and as a means for developing computational tools for studying the effects of non-affine displacements in melting, plastic flow and the glass transition., Comment: 15 pages, 13 figures, RevTex4-1

We present a numerical study of a continuum plasticity field coupled to a Ginzburg-Landau model for superfluidity. The results suggest that a supersolid fraction may appear as a long-lived transient during the time evolution of the plasticity field at higher temperatures where both dislocation climb and glide are allowed. Supersolidity, however, vanishes with annealing. As the temperature is decreased, dislocation climb is arrested and any residual supersolidity due to incomplete annealing remains frozen. Our results provide a resolution of many perplexing issues concerning a variety of experiments on solid $^4$He., Comment: 4 and 1/2 pages, RevTex, 3 Figures

Using a phase field crystal model we study the structure and dynamics of a drop of colloidal suspension during evaporation of the solvent. We model an experimental system where contact line pinning of the drop on the substrate is non-existent. Under such carefully controlled conditions, evaporation of the drop produces an ordered or disordered arrangement of the colloidal residue depending on the initial average density of solute and the drying rate. We obtain a non-equilibrium phase boundary showing amorphous and crystalline phases of single component and binary mixtures of colloidal particles in the density- drying rate plane. While single component colloids order in the two dimensional triangular lattice, a symmetric binary mixture of mutually repulsive particles orders in a three sub-lattice order where two of the sub-lattices of the triangular lattice are occupied by the two species of particles with the third sub-lattice vacant.

We describe the microstructure, shape and dynamics of growth of a droplet of martensite nucleating in a parent austenite during a solid-solid transformation, using a Landau theory written in terms of conventional affine, elastic deformations and {\em non-affine} degrees of freedom. Non-affineness, $\phi$, serves as a source of strain incompatibility and screens long-ranged elastic interactions. It is produced wherever the local stress exceeds a threshold and anneals diffusively thereafter. A description in terms of $\phi$ is inevitable when the separation between defect pairs, possibly generated during the course of the transformation, is small. Using a variational calculation, we find three types of stable solutions ({\hv I}, {\hv II} and {\hv III}) for the structure of the product droplet depending on the scaled mobilities of $\phi$ parallel and perpendicular to the parent-product interface and the stress threshold. In {\hv I}, $\phi$ is vanishingly small, {\hv II} involves large $\phi$ localized in regions of high stress within the parent-product interface and {\hv III} where $\phi$ completely wets the parent-product interface. While width $l$ and size $W$ of the twins follows $l\propto\sqrt{W}$ in solution {\hv I}, this relation does not hold for {\hv II} or {\hv III}. We obtain a dynamical phase diagram featuring these solutions and argue that they represent specific microstructures such as twinned or dislocated martensites., Comment: 17 pages, 6 figures

We report computer simulation studies of the kinetics of ordering of a two dimensional system of particles on a template with a one dimensional periodic pattern. In equilibrium one obtains a re-entrant liquid-solid-liquid phase transition as the strength of the substrate potential is varied. We show that domains of crystalline order grow as $\sim t^{1/z}$, with $z \sim 4$ with a possible cross-over to $z \sim 2$ at late times. We argue that the $t^{1/4}$ law originates from {\em single-file} motion and annihilation of defect pairs of opposite topological charge along channels created by the template., Comment: 4 pages pdflatex 4 pdf figures

Using molecular dynamics simulations we study the temperature-density phase diagram of a simple model system of particles in two dimensions. In addition to translational degrees of freedom, each particle has two internal states and interacts with a modified Lennard-Jones potential which depends on relative positions as well as the internal states. We find that, despite its simplicity, the model has a rich phase diagram showing many features of common network-forming liquids such as water and silica, including polymorphism and thermodynamic anomalies. We believe our model may be useful for studies concerning generic features of such complex liquids., Comment: 7 pages, 8 pdf figures

We study the phenomenon of self-assembly of silica micro-spheres on a glass plate during evaporation of the solvent from a colloidal suspension. Our experiments unveil an interesting competition between ordering and compaction in a strongly driven, out of equilibrium system arising from a slowing down of dynamics due to an impending glass transition. A suitable choice of experimental conditions minimizing the influence of many other competing phenomena that usually complicate probing of this underlying physics is crucial for our study. A re-entrant behavior in the order-disorder phase diagram as a function of particle density and drying time is established and the results are explained with the help of simulations and phenomenological theory., Comment: 4 pages, 3 PDF figures

We show, using molecular dynamics simulations, that a two-dimensional Lennard-Jones solid is subject to droplet fluctuations characterized by {\em non-affine} deviations from local crystallinity. The fraction of particles in these droplets increases as the mean density of the solid decreases and approaches $\approx 20$% of the total number in the vicinity of the fluid-solid phase boundary. We monitor the geometry, local equation of state, density correlations and van Hove functions of these droplets and show that some of these droplets are fluid-like and compact, while some are glassy and string-like. We provide evidence that these non-affine heterogeneities should be interpreted as being droplet fluctuations from nearby, metastable minima., Comment: Majorly revised and elaborated with larger figures

We formulate a phenomenological elasto-plastic theory to describe a solid undergoing a structural transition from a square (p4mm) to an oblique (p2) lattice in two dimensions. Within our theory, the components of the strain may be decomposed additively into separate elastic and plastic contributions. The plastic strain, produced when the local stress crosses a threshold, is governed by a phenomenological equation of motion. We investigate the dynamics of shape of an initially square solid as it is cycled through a transformation protocol consisting of (1) a quench across the transition (2) deformation by an external stress and finally (3) reverse transformation back to the parent state. We show that shape recovery at the end of this cycle depends on crucially on the presence of plasticity in components of the strain responsible for the transformation., Comment: 6 pages, 4 figures. To be published in the proceedings of ICOMAT-08.

Nucleation of a solid in solid is initiated by the appearance of distinct dynamical heterogeneities, consisting of `active' particles whose trajectories show an abrupt transition from ballistic to diffusive, coincident with the discontinuous transition in microstructure from a {\it twinned martensite} to {\it ferrite}. The active particles exhibit intermittent jamming and flow. The nature of active particle trajectories decides the fate of the transforming solid -- on suppressing single particle diffusion, the transformation proceeds via rare string-like correlated excitations, giving rise to twinned martensitic nuclei. These string-like excitations flow along ridges in the potential energy topography set up by inactive particles. We characterize this transition using a thermodynamics in the space of trajectories in terms of a dynamical action for the active particles confined by the inactive particles. Our study brings together the physics of glass, jamming, plasticity and solid nucleation., Comment: 4 pages 4 pdf figures and 1 supplementary file (pdf)

We show by computer simulation of a two-dimensional crystal confined by corrugated walls that confinement can be used to impose a controllable mesoscopic superstructure of predominantly mechanical elastic character. Due to an interplay of the particle density of the system and the width D of the confining channel, "soliton staircases" can be created along both parallel confining boundaries, that give rise to standing strain waves in the entire crystal. The periodicity of these waves is of the same order as D. This mechanism should be useful for structure formation in the self-assembly of various nanoscopic materials., Comment: 22 pages, 5 figures

We report Monte Carlo studies of a two-dimensional soft colloidal crystal confined in a strip geometry by parallel walls. The wall-particle interaction has corrugations along the length of the strip. Compressing the crystal by decreasing the distance between the walls induces a structural transition characterized by the sudden appearance of a one-dimensional array of extended defects each of which span several lattice parameters, a "soliton staircase". We obtain the effective interaction between these defects. A Lindemann criterion shows that the reduction of dimensionality causes a finite periodic chain of these defects to readily melt as the temperature is raised. We discuss possible experimental realizations and speculate on potential applications., Comment: 4 pages 5 embedded figures

We study a model for the depinning and driven steady state phases of a solid tuned across a polymorphic phase transition between ground states of triangular and square symmetry. These include pinned states which may have dominantly triangular or square correlations, a plastically flowing liquid-like phase, a moving phase with hexatic correlations, flowing triangular and square states and a dynamic coexistence regime characterized by the complex interconversion of locally square and triangular regions. We locate these phases in a dynamical phase diagram. We demonstrate that the apparent power-law orientational correlations we obtain in our moving hexatic phase arise from circularly averaging an orientational correlation function with qualitatively different behaviour in the longitudinal (drive) and transverse directions. The intermediate coexistence regime exhibits several novel properties, including substantial enhancement in the current noise, an unusual power-law spectrum of current fluctuations and striking metastability effects. This noise arises from the fluctuations of the interface separating locally square and triangular ordered regions. We demonstrate the breakdown of effective ``shaking temperature'' treatments in the coexistence regime by showing that such shaking temperatures are non-monotonic functions of the drive in this regime. Finally we discuss the relevance of these simulations to the anomalous behaviour seen in the peak effect regime of vortex lines in the disordered mixed phase of type-II superconductors. We propose that this anomalous behavior is directly linked to the behavior exhibited in our simulations in the dynamical coexistence regime, thus suggesting a possible solution to the problem of the origin of peak effect anomalies., Comment: 22 pages, double column, higher quality figures available from authors

Confining a colloidal crystal within a long narrow channel produced by two parallel walls can be used to impose a meso-scale superstructure of a predominantly mechanical elastic character [Chui et al., EPL 2008, 83, 58004]. When the crystal is compressed in the direction perpendicular to the walls, we obtain a structural transition when the number of rows of particles parallel to the walls decreases by one. All the particles of this vanishing row are distributed throughout the crystal. If the confining walls are structured (say with a corrugation along the length of the walls), then these extra particles are distributed neither uniformly nor randomly; rather, defect structures are created along the boundaries resembling "soliton staircases", inducing a non-uniform strain pattern within the crystal. Here we study the conditions of stability, formation and annihilation of these solitons using a coarse grained description of the dynamics. The processes are shown by comparing superimposed configurations as well as molecular animations obtained from our simulations. Also the corresponding normal and shear stresses during the transformation are calculated. A study of these dynamical processes should be useful for controlling strain wave superstructures in the self-assembly of various nano- and meso scaled particles., Comment: 26 pages, 6 figures

We study structural transitions in a system of interacting particles arranged as a crystalline bilayer, as a function of the density $\rho$ and the distance $d$ between the layers. As $d$ is decreased a sequence of transitions involving triangular, rhombic, square and centered rectangular lattices is observed. The sequence of phases and the order of transitions depends on the nature of interactions., Comment: 11 pages,6 figures

We study, using molecular dynamics simulations, the kinetics of shape recovery in a model solid undergoing transformations from square to a general rhombic lattice, the triangular lattice being included as a special case. We determine the necessary and sufficient conditions for such shape recovery in terms of the nature and dynamics of transient and localized {\em non-affine zones} which inevitably accompany the transformation., Comment: 8 pages, 4 figures, higher resolution figures available on request

We study the structure of an interface in a three dimensional Ising system created by an external non-uniform field $H({\bf r},t)$. $H$ changes sign over a two dimensional plane of arbitrary orientation. When the field is pulled with velocity ${\bf v}_e$, (i.e. $H({\bf r},t) = H({\bf r - v_e}t)$), the interface undergoes a several dynamical transitions. For low velocities it is pinned by the field profile and moves along with it, the distribution of local slopes undergoing a series of commensurate-incommensurate transitions. For large ${\bf v}_e$ the interface de-pinns and grows with KPZ exponents., Comment: 4 pages 3 .eps figures

We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection using a molecular dynamics (MD) simulation. Our simulations show a range of microstructures depending on the depth of quench. We closely follow the dynamics of the solid and find that transient {\em non-affine zones} (NAZ) are created at and evolve with the rapidly moving transformation front. The dynamics of these plastic regions determines the selection of microstructure. We formulate an {\it elastoplastic model} which couples the elastic strain to the non-affine deformation, and recover all the qualitative features of the MD simulation. Using this model, we construct a dynamical phase diagram for microstructure selection, in addition to making definite testable predictions., Comment: 18 pages 15 (eps) figures incorporated several referee comments

We show using computer simulations and mean field theory that a system of particles in two dimensions, when confined laterally by a pair of parallel hard walls within a quasi one dimensional channel, possesses several anomalous structural and mechanical properties not observed in the bulk. Depending on the density $\rho$ and the distance between the walls $L_y$, the system shows structural characteristics analogous to a weakly modulated liquid, a strongly modulated smectic, a triangular solid or a buckled phase. At fixed $\rho$, a change in $L_y$ leads to many reentrant discontinuous transitions involving changes in the number of layers parallel to the confining walls depending crucially on the commensurability of inter-layer spacing with $L_y$. The solid shows resistance to elongation but not to shear. When strained beyond the elastic limit it fails undergoing plastic deformation but surprisingly, as the strain is reversed, the material recovers completely and returns to its original undeformed state. We obtain the phase diagram from mean field theory and finite size simulations and discuss the effect of fluctuations., Comment: 14 pages, 13 figures; revised version, accepted in J. Chem. Phys

We study the interface between a solid trapped within a bath of liquid by a suitably shaped non-uniform external potential. Such a potential may be constructed using lasers, external electric or magnetic fields or a surface template. We study a two dimensional case where a thin strip of solid, created in this way, is surrounded on either side by a bath of liquid with which it can easily exchange particles. Since height fluctuations of the interface cost energy, this interface is constrained to remain flat at all length scales. However, when such a solid is stressed by altering the depth of the potential; beyond a certain limit, it responds by relieving stress by novel interfacial fluctuations which involve addition or deletion of entire lattice layers of the crystal. This ``layering'' transition is a generic feature of the system regardless of the details of the interaction potential. We show how such interfacial fluctuations influence mass, momentum and energy transport across the interface. Tiny momentum impulses produce weak shock waves which travel through the interface and cause the spallation of crystal layers into the liquid. Kinetic and energetic constraints prevent spallation of partial layers from the crystal, a fact which may be of some practical use. We also study heat transport through the liquid-solid interface and obtain the resistances in liquid, solid and interfacial regions (Kapitza resistance) as the solid undergoes such layering transitions. Heat conduction, which shows strong signatures of the structural transformations, can be understood using a free volume calculation., Comment: 18 pages, 28 figures; submitted in PRE

We study the conduction of heat across a narrow solid strip trapped by an external potential and in contact with its own liquid. Structural changes, consisting of addition and deletion of crystal layers in the trapped solid, are produced by altering the depth of the confining potential. Nonequilibrium molecular dynamics simulations and, wherever possible, simple analytical calculations are used to obtain the thermal resistance in the liquid, solid and interfacial regions (Kapitza or contact resistance). We show that these layering transitions are accompanied by sharp jumps in the contact thermal resistance. Dislocations, if present, are shown to increase the thermal resistance of the strip drastically., Comment: 9 pages, 3 figures, published version, minor changes

We investigate the driven states of a two-dimensional crystal whose ground state can be tuned through a square-triangular transition. The depinning of such a system from a quenched random background potential occurs via a complex sequence of dynamical states, which include plastic flow states, hexatics, dynamically stabilized triangle and square phases and intermediate regimes of phase coexistence. These results are relevant to transport experiments in the mixed phase of several superconductors which exhibit such structural transitions as well as to driven colloidal systems whose interactions can be tuned via surface modifications., Comment: Two-column, 4 pages, figures included

We calculate the electrical conductivity of a thin crystalline strip of atoms confined within a quasi one dimensional channel of fixed width. The conductivity shows anomalous behavior as the strip is deformed under tensile loading. Beyond a critical strain, the solid fails by the nucleation of alternating bands of solid and {\em smectic} like phases accompanied by a jump in the conductivity. Since the failure of the strip in this system is known to be reversible, the onductivity anomaly may have practical use as a sensitive strain transducer., Comment: 8 pages, 3 figures, communicated for publication in EPL