arXiv subjects

Zhi-Feng Huang

Publications and source records attributed to Zhi-Feng Huang.

At least 19 recordsLinked to original sources

arXiv2025

Noise-driven odd elastic waves in living chiral active matter

Chiral active matter is predicted to exhibit odd elasticity, with nontraditional elastic response arising from a combination of chirality, being out of equilibrium, and the presence of nonreciprocal interactions. One of the resulting phenomena is the possible occurrence of odd elastic waves in overdamped systems, although its experimental realization still remains elusive. Here we show that in overdamped active systems, noise is required to generate persistent elastic waves. In the chiral crystalline phase of active matter, such as that found recently in populations of swimming starfish embryos, the noise arises from the self-driving of active particles and their mutual collisions, a key factor that has been missing in previous studies. We identify the criterion for the occurrence of noise-driven odd elastic waves and construct the corresponding phase diagram, which is also applicable to general chiral active crystals. Our results can be used to predict the experimental conditions for achieving a transition to self-sustained elastic waves in overdamped active systems.

cond-mat.soft↗

arXiv2025

Anomalous grain dynamics and grain locomotion of odd crystals

Crystalline or polycrystalline systems governed by odd elastic responses are known to exhibit complex dynamical behaviors involving self-propelled dynamics of topological defects with spontaneous self-rotation of chiral crystallites. Unveiling and controlling the underlying mechanisms require studies across multiple scales. We develop such a type of approach that bridges between microscopic and mesoscopic scales, in the form of a phase field crystal model incorporating transverse interactions. This continuum density field theory features two-dimensional parity symmetry breaking and odd elasticity, and generates a variety of interesting phenomena that agree well with recent experiments and particle-based simulations of active and living chiral crystals, including self-rotating crystallites, dislocation self-propulsion and proliferation, and fragmentation in polycrystals. We identify a distinct type of surface cusp instability induced by self-generated surface odd stress that results in self-fission of single-crystalline grains. This mechanism is pivotal for the occurrence of various anomalous grain dynamics for odd crystals, particularly the predictions of a transition from normal to reverse Ostwald ripening for self-rotating odd grains, and a transition from grain coarsening to grain self-fragmentation in the dynamical polycrystalline state with an increase of transverse interaction strength. We also demonstrate that the single-grain dynamics can be maneuvered through the variation of interparticle transverse interactions. This allows to steer the desired pathway of grain locomotion and to control the transition between grain self-rotation, self-rolling, and self-translation. Our results provide insights for the design and control of structural and dynamical properties of active odd elastic materials.

cond-mat.soft↗

arXiv2025

Active pattern formation emergent from single-species nonreciprocity

Nonreciprocal interactions violating Newton's third law are common in a plethora of nonequilibrium situations ranging from predator-prey systems to the swarming of birds and effective colloidal interactions under flow. While many recent studies have focused on two species with nonreciprocal coupling, less is examined for the basic single-component system breaking the actio and reactio equality of force within the same species. Here, we systematically derive a field theory for the case of single-species nonreciprocal interactions from the microscopic particle dynamics, leading to a generic continuum model termed Active Model N (N denoting nonreciprocity). We explore the rich dynamics of pattern formation in this nonreciprocal system and the emergence of self-traveling states with persistent variation and flowing of active branched patterns. One particular new characteristic pattern is an interwoven self-knitting "yarn" structure with a unique feature of simultaneous development of micro- and bulk phase separations. The growth dynamics of a "ball-of-wool" active droplet towards these self-knitted yarn or branched states exhibits a crossover between different scaling behaviors. The mechanism underlying this distinct class of active phase separation is attributed to the interplay between nonreciprocity and competition of interparticle forces. Our predictions can be applied to various biological and artificial active matter systems controlled by single-species nonreciprocity.

cond-mat.soft↗

arXiv2024

Uncovering liquid-substrate fluctuation effects on crystal growth and disordered hyperuniformity of two-dimensional materials

We investigate the growth of two-dimensional (2D) crystals on fluctuating surfaces using a phase field crystal model that is relevant on atomic length and diffusive time scales. Motivated by recent experiments which achieved unprecedented fast growth of large-size high-quality 2D crystals on liquid substrates, we uncover novel effects of liquid surfaces on microstructural ordering. We find that substrate fluctuations generate short-ranged noise that speeds up crystallization and grain growth of the overlayer, surpassing that of free-standing system. Coupling to the liquid substrate fluctuations can also modulate local randomness, leading to intriguing disordered structures with hidden spatial order, i.e., disordered hyperuniformity. These results reveal the physical mechanisms underlying the fast growth of 2D crystals on liquid surfaces and demonstrate a novel strategy for synthesizing disordered hyperuniform thin film structures.

cond-mat.mtrl-sci↗

arXiv2024

Influence of dislocations in multilayer graphene stacks: A phase field crystal study

In this work the influence of $5|7$ dislocations in multiplayer graphene stacks (up to six layers) is examined. The study is conducted through a recently developed Phase Field Crystal (PFC) model for multilayer systems incorporating out-of-plane deformations and parameterized to match to density functional theory calculations for graphene bilayers and other systems. The specific configuration considered consists of one monolayer containing four $5|7$ dislocations (i.e., two dislocation dipoles) sandwiched in between perfect graphene layers. The study reveals how the strain field from the dislocations in the defected layer leads to out-of-plane deformations that in turn cause deformations of neighboring layers. Quantitative predictions are made for the defect free energy of the multilayer stacks as compared to a defect-free system, which is shown to increase with the number of layers and system size. Furthermore it is predicted that system defect energy saturates by roughly ten sheets in the stack, indicating the range of defect influence across the multilayer. Variations of stress field distribution and layer height profiles in different layer of the stack are also quantitatively identified.

cond-mat.mtrl-sci↗

arXiv2023

Active smectics on a sphere

The dynamics of active smectic liquid crystals confined on a spherical surface is explored through an active phase field crystal model. Starting from an initially randomly perturbed isotropic phase, several types of topological defects are spontaneously formed, and then annihilate during a coarsening process until a steady state is achieved. The coarsening process is highly complex involving several scaling laws of defect densities as a function of time where different dynamical exponents can be identified. In general the exponent for the final stage towards the steady state is significantly larger than that in the passive and in the planar case, i.e., the coarsening is getting accelerated both by activity and by the topological and geometrical properties of the sphere. A defect type characteristic for this active system is a rotating spiral of evolving smectic layering lines. On a sphere this defect type also determines the steady state. Our results can in principle be confirmed by dense systems of synthetic or biological active particles.

cond-mat.soft↗

arXiv2023

Moiré patterns and inversion boundaries in graphene/hexagonal boron nitride bilayers

In this paper a systematic examination of graphene/hexagonal boron nitride (g/hBN) bilayers is presented, through a recently developed two-dimensional phase field crystal model that incorporates out-of-plane deformations. The system parameters are determined by closely matching the stacking energies and heights of graphene/hBN bilayers to those obtained from existing quantum-mechanical density functional theory calculations. Out-of-plane deformations are shown to reduce the energies of inversion domain boundaries in hBN, and the coupling between graphene and hBN layers leads to a bilayer defect configuration consisting of an inversion boundary in hBN and a domain wall in graphene. Simulations of twisted bilayers reveal the structure, energy, and elastic properties of the corresponding Moiré patterns, and show a crossover, as the misorientation angle between the layers increases, from a well-defined hexagonal network of domain boundaries and junctions to smeared-out patterns. The transition occurs when the thickness of domain walls approaches the size of the Moiré patterns, and coincides with the peaks in the average von Mises and volumetric stresses of the bilayer.

cond-mat.mtrl-sci↗

arXiv2022

Defect dynamics in active smectics induced by confining geometry and topology

The persistent dynamics in systems out of equilibrium, particularly those characterized by annihilation and creation of topological defects, is known to involve complicated spatiotemporal processes and is deemed difficult to control. Here the complex dynamics of defects in active smectic layers exposed to strong confinements is explored, through self-propulsion of active particles and a variety of confining geometries with different topology, ranging from circular, flower-shaped epicycloid, to hypocycloid cavities, channels, and rings. We identify a wealth of dynamical behaviors during the evolution of complex spatiotemporal defect patterns as induced by the confining shape and topology, particularly a perpetual creation-annihilation dynamical state at intermediate activity with large fluctuations of topological defects and a controllable transition from oscillatory to damped time correlation of defect number density via mechanisms governed by boundary cusps. Our results are obtained by using an active phase field crystal approach. Possible experimental realizations are also discussed.

cond-mat.soft↗

arXiv2022

Atomic ordering and phase separation in lateral heterostructures and multijunctions of ternary two-dimensional hexagonal materials

The growth and microstructural properties of ternary monolayers of two-dimensional hexagonal materials are examined, including both individual two-dimensional crystalline grains and in-plane heterostructures, multijunctions, or superlattices. The study is conducted through the development of a ternary phase field crystal model incorporating sublattice ordering and the coupling among the three atomic components. The results demonstrate that a transition of compositional pattern or modulation in this type of two-dimensional ternary crystals, from phase separation to geometrically frustrated lattice atomic ordering, can be controlled via the varying degree of energetic preference of heteroelemental neighboring over the homoelemental ones. Effects of growth and system conditions are quantitatively identified through numerical calculations and analyses of interspecies spatial correlations and the degree of alloy intermixing or disordering. These findings are applied to simulating the growth of monolayer lateral heterostructures with atomically sharp heterointerface, and via the sequential process of edge-epitaxy, the formation of the corresponding superlattices or structures with multiple heterojunctions, with outcomes consistent with recent experiments of in-plane multi-heterostructures of transition metal dichalcogenides. Also explored is a distinct type of alloy-based lateral heterostructures and multijunctions which integrate ternary ordered alloy domains with the adjoining blocks of binary compounds, providing a more extensive variety of two-dimensional heterostructural materials.

cond-mat.mtrl-sci↗

arXiv2022

Control of phase ordering and elastic properties in phase field crystals through three-point direct correlation

Effects of three-point direct correlation on properties of the phase field crystal (PFC) modeling are examined, for the control of various ordered and disordered phases and their coexistence in both three-dimensional and two-dimensional systems. Such effects are manifested via the corresponding gradient nonlinearity in the PFC free energy functional that is derived from classical density functional theory. Their significant impacts on the stability regimes of ordered phases, phase diagrams, and elastic properties of the system, as compared to those of the original PFC model, are revealed through systematic analyses and simulations. The nontrivial contribution from three-point direct correlation leads to the variation of the critical point of order-disorder transition to which all the phase boundaries in the temperature-density phase diagram converge. It also enables the variation and control of system elastic constants over a substantial range as needed in modeling different types of materials with the same crystalline structure but different elastic properties. The capability of this PFC approach in modeling both solid and soft matter systems is further demonstrated through the effect of three-point correlation on controlling the vapor-liquid-solid coexistence and transitions for body-centered cubic (bcc) phase and on achieving the liquid-stripe or liquid-lamellar phase coexistence. All these provide a valuable and efficient method for the study of structural ordering and evolution in various types of material systems.

cond-mat.mtrl-sci↗

arXiv2021

Grain rotation and coupled grain boundary motion in two-dimensional binary hexagonal materials

The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic species in multi-component material systems are still not well understood. We study these effects through the phase field crystal modeling of embedded curved grains in two-dimensional hexagonal materials, by examining and comparing the results of grain rotation, shrinking, and grain boundary dynamics over the full range of misorientation in binary systems of hexagonal boron nitride and single-component graphene monolayers. Calculations of the relation between grain radius and misorientation angle during time evolution reveal the normal-tangential coupled motion of the grain boundary matching the Cahn-Taylor formulation, as well as the transition to sliding and the regime of grain motion without rotation. The key effect of two-component sublattice ordering is identified, showing as a dual behavior of both positive and negative coupling modes with grains rotating towards increasing and decreasing angles, which is absent in two-dimensional single-component systems. The corresponding mechanisms are beyond the purely geometric considerations and require the energetic contribution from the difference between heteroelemental and homoelemental atomic bondings and the subsequent availability of a diverse variety of defect core structures and transformations. This indicates the important role played by the lattice inversion symmetry breaking in binary or multi-component materials, causing the change of detailed microstructures and dynamics of dislocation defects at grain boundaries as compared to single-component materials.

cond-mat.mtrl-sci↗

arXiv2021

Yielding and jerky plasticity of tilt grain boundaries in high-temperature graphene

Graphene is well known for its extraordinary mechanical properties combining brittleness and ductility. While most mechanical studies of graphene focused on the strength and brittle fracture behavior, its ductility, plastic deformation, and the possible brittle-to-ductile transition, which are important for high-temperature mechanical performance and applications, still remain much less understood. Here the mechanical response and deformation dynamics of graphene grain boundaries are investigated through a phase field crystal modeling, showing the pivotal effects of temperature and local dislocation structure. Our results indicate that even at relatively high temperature (around 3350 K), the system is still governed by a brittle fracture and cracking dynamics as found in previous low-temperature experimental and atomistic studies. We also identify another type of failure dynamics with low-angle grain boundary disintegration. When temperature increases a transition to plastic deformation is predicted. The appearance of plastic flow at ultrahigh temperature, particularly the phenomenon of jerky plasticity, is attributed to the stick and climb-glide motion of dislocations around the grain boundary. The corresponding mechanism is intrinsic to two-dimensional systems, and governed by the competition between the driving force of accumulated local stress and the defect pinning effect, without the traditional pathways of dislocation generation needed in three-dimensional materials.

cond-mat.mtrl-sci↗

arXiv2021

Mesoscale Defect Motion in Binary Systems: Effects of Compositional Strain and Cottrell Atmospheres

The velocity of dislocations is derived analytically to incorporate and predict the intriguing effects induced by the preferential solute segregation and Cottrell atmospheres in both two-dimensional and three-dimensional binary systems of various crystalline symmetries. The corresponding mesoscopic description of defect dynamics is constructed through the amplitude formulation of the phase-field crystal model which has been shown to accurately capture elasticity and plasticity in a wide variety of systems. Modifications of the Peach-Koehler force as a result of solute concentration variations and compositional stresses are presented, leading to interesting new predictions of defect motion due to effects of Cottrell atmospheres. These include the deflection of dislocation glide paths, the variation of climb speed and direction, and the change or prevention of defect annihilation, all of which play an important role in determining the fundamental behaviors of complex defect network and dynamics. The analytic results are verified by numerical simulations.

cond-mat.mtrl-sci↗

arXiv2021

Percolation in metal-insulator composites of randomly packed spherocylindrical nanoparticles

While classical percolation is well understood, percolation effects in randomly packed or jammed structures are much less explored. Here we investigate both experimentally and theoretically the electrical percolation in a binary composite system of disordered spherocylinders, to identify the relation between structural (percolation) and functional properties of nanocomposites. Experimentally, we determine the percolation threshold $p_c$ and the conductivity critical exponent $t$ for composites of conducting (CrO$_2$) and insulating (Cr$_2$O$_3$) rodlike nanoparticles that are nominally geometrically identical, yielding $p_c=0.305 \pm 0.026$ and $t=2.52 \pm 0.03$ respectively. Simulations and modeling are implemented through a combination of the mechanical contraction method and a variant of random walk (de Gennes ant) approach, in which charge diffusion is correlated with the system conductivity via the Nernst-Einstein relation. The percolation threshold and critical exponents identified through finite size scaling are in good agreement with the experimental values. Curiously, the calculated percolation threshold for spherocylinders with an aspect ratio of 6.5, $p_c=0.312 \pm 0.002$, is very close (within numerical errors) to the one found previously in two other distinct systems of disordered jammed spheres and simple cubic lattice, an intriguing and surprising result.

cond-mat.mtrl-sci↗

arXiv2020

Minimal phase-field crystal modeling of vapor-liquid-solid coexistence and transitions

A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description. Conditions for the realization of the phase coexistence and transition sequence are systematically analyzed and shown to be satisfied by a broad range of model parameters, demonstrating the high flexibility and applicability of the model. Both temperature-density and temperature-pressure phase diagrams are identified, while structural evolution and coexistence among the three phases are examined through dynamical simulations. The model is also able to produce some temperature and pressure related material properties, including effects of thermal expansion and pressure on equilibrium lattice spacing, and temperature dependence of saturation vapor pressure. This model can be used as an effective approach for investigating a variety of material growth and deposition processes based on vapor-solid, liquid-solid, and vapor-liquid-solid growth.

cond-mat.mtrl-sci↗

arXiv2020

Dynamical Crystallites of Active Chiral Particles

One of the intrinsic characteristics of far-from-equilibrium systems is the nonrelaxational nature of the system dynamics, which leads to novel properties that cannot be understood and described by conventional pathways based on thermodynamic potentials. Of particular interest are the formation and evolution of ordered patterns composed of active particles that exhibit collective behavior. Here we examine such a type of nonpotential active system, focusing on effects of coupling and competition between chiral particle self-propulsion and self-spinning. It leads to the transition between three bulk dynamical regimes dominated by collective translative motion, spinning-induced structural arrest, and dynamical frustration. In addition, a persistently dynamical state of self-rotating crystallites is identified as a result of a localized-delocalized transition induced by the crystal-melt interface. The mechanism for the breaking of localized bulk states can also be utilized to achieve self-shearing or self-flow of active crystalline layers.

cond-mat.soft↗

arXiv2020

Spiral defect chaos in Rayleigh-Bénard convection: Asymptotic and numerical studies of azimuthal flows induced by rotating spirals

Rotating spiral patterns in Rayleigh-Bénard convection are known to induce azimuthal flows, which raises the question of how different neighboring spirals interact with each other in spiral chaos, and the role of hydrodynamics in this regime. Far from the core, we show that spiral rotations lead to an azimuthal body force that is irrotational and of magnitude proportional to the topological index of the spiral and its angular frequency. The force, although irrotational, cannot be included in the pressure field as it would lead to a nonphysical, multivalued pressure. We calculate the asymptotic dependence of the resulting flow, and show that it leads to a logarithmic dependence of the azimuthal velocity on distance r away from the spiral core in the limit of negligible damping coefficient. This solution dampens to approximately $1/r$ when accounting for no-slip boundary conditions for the convection cell's plate. This flow component can provide additional hydrodynamic interactions among spirals including those observed in spiral defect chaos. We show that the analytic prediction for the azimuthal velocity agrees with numerical results obtained from both two-dimensional generalized Swift-Hohenberg and three-dimensional Boussinesq models, and find that the velocity field is affected by the size and charges of neighboring spirals. Numerically, we identify a correlation between the appearance of spiral defect chaos and the balancing between the mean-flow advection and the diffusive dynamics related to roll unwinding.

cond-mat.soft↗

arXiv2019

A coarse-grained phase-field crystal model of plastic motion

The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as well as of dislocation motion. We analyze in detail the elastic distortion and stress regularization at a dislocation core and show how the Burgers vector density can be directly computed from the topological singularities of the phase-field amplitudes. Distortions arising from these amplitudes are then supplemented with non-singular displacements to enforce mechanical equilibrium. This allows for the consistent separation of plastic and elastic time scales in this framework. A finite element method is introduced to solve the combined amplitude and elasticity equations, which is applied to a few prototypical configurations in two spatial dimensions for a crystal of triangular lattice symmetry: i) the stress field induced by an edge dislocation with an analysis of how the amplitude equation regularizes stresses near the dislocation core, ii) the motion of a dislocation dipole as a result of its internal interaction, and iii) the shrinkage of a rotated grain. We also compare our results with those given by other extensions of classical elasticity theory, such as strain-gradient elasticity and methods based on the smoothing of Burgers vector densities near defect cores.

cond-mat.mtrl-sci↗