A surrogate-assisted extended generative adversarial network for parameter optimization in free-form metasurface design.

Metasurfaces have widespread applications in fifth-generation (5G) microwave communication. Among the metasurface family, free-form metasurfaces excel in achieving intricate spectral responses compared to regular-shape counterparts. However, conventional numerical methods for free-form metasurfaces are time-consuming and demand specialized expertise.

Shear-induced mixing of granular materials featuring broad granule size distributions.

Granular flows during a shear-induced mixing process are studied using discrete element methods. The aim is to understand the underlying elementary mechanisms of transition from unmixed to mixed phases for a granular material featuring a broad distribution of particles, which we investigate systematically by varying the strain rate and system size. Here the strain rate varies over four orders of magnitude and the system size varies from ten thousand to more than a million granules.

Emergence of linear isotropic elasticity in amorphous and polycrystalline materials.

We investigate the emergence of isotropic linear elasticity in amorphous and polycrystalline solids via extensive numerical simulations. We show that the elastic properties are correlated over a finite length scale ξ_{E}, so that the central limit theorem dictates the emergence of continuum linear isotropic elasticity on increasing the specimen size. The stiffness matrix of systems of finite size L>ξ_{E} is obtained, adding to that predicted by linear isotropic elasticity a random one of spectral norm (L/ξ_{E})^{-3/2} in three spatial dimensions.

Frictional active Brownian particles.

Frictional forces affect the rheology of hard-sphere colloids, at high shear rate. Here we demonstrate, via numerical simulations, that they also affect the dynamics of active Brownian particles and their motility-induced phase separation. Frictional forces increase the angular diffusivity of the particles, in the dilute phase, and prevent colliding particles from resolving their collision by sliding one past to the other.

Oscillatory instabilities in three-dimensional frictional granular matter.

The dynamics of amorphous granular matter with frictional interactions cannot be derived in general from a Hamiltonian and therefore displays oscillatory instabilities stemming from the onset of complex eigenvalues in the stability matrix. These instabilities were discovered in the context of one- and two-dimensional systems, while the three-dimensional case was never studied in detail. Here we fill this gap by deriving and demonstrating the presence of oscillatory instabilities in a three-dimensional granular packing.

Transition from Static to Dynamic Friction in an Array of Frictional Disks.

The nature of an instability that controls the transition from static to dynamical friction is studied in the context of an array of frictional disks that are pressed from above on a substrate. In this case the forces are all explicit and Newtonian dynamics can be employed without any phenomenological assumptions. We show that an oscillatory instability that had been discovered recently is responsible for the transition, allowing individual disks to spontaneously reach the Coulomb limit and slide with dynamic friction.

Role of Attractive Forces in the Relaxation Dynamics of Supercooled Liquids.

The attractive tail of the intermolecular interaction affects very weakly the structural properties of liquids, while it affects dramatically their dynamical ones. Via the numerical simulations of model systems not prone to crystallization, both in three and in two spatial dimensions, here we demonstrate that the nonperturbative dynamical effects of the attractive forces are tantamount to a rescaling of the activation energy by the glass transition temperature T_{g}: systems only differing in their attractive interaction have the same structural and dynamical properties if compared at the same value of T/T_{g}.

Noise amplification in frictional systems: Oscillatory instabilities.

It was discovered recently that frictional granular materials can exhibit an important mechanism for instabilities, i.e., the appearance of pairs of complex eigenvalues in their stability matrix.

Oscillatory Instabilities in Frictional Granular Matter.

Frictional granular matter is shown to be fundamentally different in its plastic responses to external strains from generic glasses and amorphous solids without friction. While regular glasses exhibit plastic instabilities due to the vanishing of a real eigenvalue of the Hessian matrix, frictional granular materials can exhibit a previously unnoticed additional mechanism for instabilities, i.e.

Revealing the principal attributes of protein adsorption on block copolymer surfaces with direct experimental evidence at the single protein level.

Understanding protein adsorption onto polymer surfaces is of great importance in designing biomaterials, improving bioanalytical devices, and controlling biofouling, to name a few examples. Although steady research efforts have been advancing this field, our knowledge of this ubiquitous and complex phenomenon is still limited. In this study, we elucidate competitive protein adsorption behaviors sequentially occurring onto nanoscale block copolymer (BCP) surfaces via combined experimental and computer simulation approaches.

Long-range stress transmission guides endothelial gap formation.

In endothelial gap formation, local tractions exerted by the cell upon its basal adhesions are thought to exceed balancing tensile stresses exerted across the cell-cell junction, thus causing the junction to rupture. To test this idea, we mapped evolving tractions, intercellular stresses, and corresponding growth of paracellular gaps in response to agonist challenge. Contrary to expectation, we found little to no relationship between local tensile stresses and gap formation.

Dependence of Ion Dynamics on the Polymer Chain Length in Poly(ethylene oxide)-Based Polymer Electrolytes.

It is known from experiments that in the polymer electrolyte system, which contains poly(ethylene oxide) chains (PEO), lithium-cations (Li(+)), and bis(trifluoromethanesulfonyl)imide-anions (TFSI(-)), the cation and the anion diffusion and the ionic conductivity exhibit a similar chain-length dependence: with increasing chain length, they start dropping steadily, and later, they saturate to constant values. These results are surprising because Li-cations are strongly correlated with the polymer chains, whereas TFSI-anions do not have such bonding. To understand this phenomenon, we perform molecular dynamics simulations of this system for four different polymer chain lengths.

A multi-scale approach to characterize pure CH4, CF4, and CH4/CF4 mixtures.

In this study, we develop three intermolecular potentials for methane (CH4), tetrafluoromethane (CF4), and CH4/CF4 dimers using a novel ab initio method. The ultimate goal is to understand microscopically the phase-separation in CH4/CF4 systems, which takes place in the liquid states near their freezing points. Monte-Carlo (MC) simulations of the pure CH4 system are performed using the ab initio energies to verify the potential.

Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes.

We perform extensive molecular dynamics simulations of a poly(ethylene oxide)-based polymer electrolyte material containing lithium bis(trifluoromethanesulfonyl)imide salt for a wide temperature regime above and below the experimental crystallization temperature with and without N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid (IL). The impact of the IL-concentration on the cation dynamics is studied. The increase of the cation mobility upon addition of IL is significant but temperature-independent.

Elastic signature of flow events in supercooled liquids under shear.

Using numerical simulation of a 2D Lennard-Jones system, we study the crossover from shear thinning to Newtonian flow. We find that the short-time elastic response of our system essentially does not change through this crossover, and show that, in the Newtonian regime, thermal activation triggers shear transformations, i.e.

Robustness of avalanche dynamics in sheared amorphous solids as probed by transverse diffusion.

Using numerical simulations, we perform an extensive finite-size analysis of the transverse diffusion coefficient in a sheared 2D amorphous solid over a broad range of strain rates at temperatures up to the supercooled liquid regime. We thus obtain direct qualitative evidence for the persistence of correlations between elementary plastic events up to the vicinity of the glass transition temperature T(g). A quantitative analysis of the data, combined with a previous study of the T and γ dependence of the macroscopic stress [Phys.

Universal additive effect of temperature on the rheology of amorphous solids.

Extensive measurements of macroscopic stress in a 2D Lennard-Jones glass, over a broad range of temperatures (T) and strain rates (γ), demonstrate a very significant decrease of the flowing stress with T, even much below the glass transition. A detailed analysis of the interplay between loading, thermal activation, and mechanical noise leads us to propose that over a broad (γ, T) region, the effect of temperature amounts to a mere lowering of the strains at which plastic events occur, while the athermal avalanche dynamics remains essentially unperturbed. Up to the vicinity of the glass transition, temperature is then shown to correct the athermal stress by a (negative) additive contribution which presents a universal form, thus bringing support to and extending an expression proposed by Johnson and Samwer [Phys.