An Analysis on Selection for High-Resolution Approximations in Many-Objective Optimization

This work studies the behavior of three elitist multi- and many-objective evolutionary algorithms generating a high-resolution approximation of the Pareto optimal set. Several search-assessment indicators are defined to trace the dynamics of survival selection and measure the ability to simultaneously keep optimal solutions and discover new ones under different population sizes, set as a fraction of the size of the Pareto optimal set.Comment: apperas in Parallel Problem Solving from Nature - PPSN XIII, Ljubljana : Slovenia (2014

Electronic structure of amorphous germanium disulfide via density functional molecular dynamics simulations

Using density functional molecular dynamics simulations we study the electronic properties of glassy g-GeS$_2$. We compute the electronic density of states, which compares very well with XPS measurements, as well as the partial EDOS and the inverse participation ratio. We show the electronic contour plots corresponding to different structural environments, in order to determine the nature of the covalent bonds between the atoms. We finally study the local atomic charges, and analyze the impact of the local environment on the charge transfers between the atoms. The broken chemical order inherent to amorphous systems leads to locally charged zones when integrating the atomic charges up to nearest-neighbor distances.Comment: 13 pages, 9 figures; to appear in Phys. Rev.

Quixo Is Solved

Quixo is a two-player game played on a 5$\times$5 grid where the players try to align five identical symbols. Specifics of the game require the usage of novel techniques. Using a combination of value iteration and backward induction, we propose the first complete analysis of the game. We describe memory-efficient data structures and algorithmic optimizations that make the game solvable within reasonable time and space constraints. Our main conclusion is that Quixo is a Draw game. The paper also contains the analysis of smaller boards and presents some interesting states extracted from our computations.Comment: 19 page

Global vs local search on multi-objective NK-landscapes: contrasting the impact of problem features

Best paper award (ECOM track)International audienc

Calculated vibrational and electronic properties of various sodium thiogermanate glasses

We study the vibrational and electronic properties of (x)Na$_2$S-(1-x)GeS$_2$ glasses through DFT-based molecular dynamics simulations, at different sodium concentrations ($0<x<0.5$). We compute the vibrational density of states for the different samples in order to determine the contribution of the Na$^+$ ions in the VDOS. With an in-depth analysis of the eigenvectors we determine the spatial and atomic localization of the different modes, and in particular in the zone corresponding to the Boson peak. We also calculate the electronic density of states as well as the partial EDOS in order to determine the impact of the introduction of the sodium modifiers on the electronic properties of the GeS$_2$ matrix.Comment: 9 pages, 6 figures; to appear in Chemical Physics (typo. corrected

Self-assembly and dis-assembly of stimuli responsive tadpole-like single chain nanoparticles using a switchable hydrophilic/hydrophobic boronic acid cross-linker

Living systems are driven by molecular machines that are composed of folded polypeptide chains, which are assembled together to form multimeric complexes. Although replicating this type of system is a longstanding goal in polymer science, the complexity the structures impose is synthetically very challenging, and generating synthetic polymers to mimic the process of these assemblies appears to be a more appealing approach. To this end, we report a linear polymer programmable for stepwise folding and assembly to higher order structures. To achieve this, a diblock copolymer composed of 4-acryloylmorpholine and glycerol acrylate was synthesised with high precision via reversible addition fragmentation chain transfer polymerisation (Đ < 1.22). Both intramolecular folding and intermolecular assembly were driven by a pH responsive cross-linker, benzene-1,4-diboronic acid. The resulting intramolecular folded single chain nanoparticles were well defined (Đ < 1.16) and successfully assembled into a multimeric structure (Dh = 245 nm) at neutral pH with no chain entanglement. The assembled multimer was observed with a spherical morphology as confirmed by TEM and AFM. These structures were capable of unfolding and disassembling either at low pH or in the presence of sugar. This work offers a new perspective for the generation of adaptive smart materials

Migration of a moonlet in a ring of solid particles : Theory and application to Saturn's propellers

Hundred meter sized objects have been identified by the Cassini spacecraft in Saturn's A ring through the so-called "propeller" features they create in the ring. These moonlets should migrate, due to their gravitational interaction with the ring ; in fact, some orbital variation have been detected. The standard theory of type I migration of planets in protoplanetary disks can't be applied to the ring system, as it is pressureless. Thus, we compute the differential torque felt by a moonlet embedded in a two-dimensional disk of solid particles, with flat surface density profile, both analytically and numerically. We find that the corresponding migration rate is too small to explain the observed variations of the propeller's orbit in Saturn's A-ring. However, local density fluctuations (due to gravity wakes in the marginally gravitationally stable A-ring) may exert a stochastic torque on a moonlet. Our simulations show that this torque can be large enough to account for the observations, depending on the parameters of the rings. We find that on time scales of several years the migration of propellers is likely to be dominated by stochastic effects (while the former, non-stochastic migration dominates after ~ 10^{4-5} years). In that case, the migration rates provided by observations so far suggests that the surface density of the A ring should be of the order of 700 kg/m^2. The age of the propellers shouldn't exceed 1 to 100 million years, depending on the dominant migration regime.Comment: 17 pages, 5 figures, submitted to Astronomical Journal on february, the 23

Influence of grafting density and distribution on material properties using well-defined alkyl functional poly(styrene-co-maleic anhydride) architectures synthesized by RAFT

Poly(styrene-co-maleic anhydride) copolymers (PSMA) with controlled number and distribution of maleic anhydride (MAnh) units were synthesized by reversible addition–fragmentation chain transfer polymerization using chain-transfer agents (CTA) suitable for industrial scale processes. Linear- and star-shaped alternating PSMA polymers were prepared in a single-step synthesis, while a one-pot sequential chain-extension strategy was utilized to prepare diblock, multiblock, and multisite copolymer architectures. A library of grafted PSMAs with controlled density and distribution of side chains was achieved by the subsequent grafting of long aliphatic alcohol chains (C22) to the MAnh units. The influence of structure, composition, and long alkyl chain addition on PSMAs behavior in solution was studied with triple-detection size exclusion chromatography, while their thermal properties were examined by thermogravimetric analysis and differential scanning calorimetry. Overall, the side chain density and distribution did not impact the polymer conformations in solution (random coil); however, an effect on the molecular size (Rh) and structure density (intrinsic viscosity) were observed. The materials density was shown to be dependent on polymer architectures as lower intrinsic viscosity was observed for the star copolymer. All the materials had similar degradation points (400 °C), while the rate of degradation showed a dependence on the MAnh content and polymeric architecture. Ultimately, the grafting of long aliphatic side chains (crystalline) onto the PSMA backbone, even at low density, was shown to drastically change the microphase ordering, as all the grafted copolymers became semicrystalline. The difference of the crystallization temperature between low density multisite materials (Tc ≈ 8 °C) and the high density alternating material (Tc ≈ 40 °C) highlights the major importance of controlling copolymer composition and structure to tune material properties

Evolution of Microphase Separation with Variations of Segments of Sequence-Controlled Multiblock Copolymers

Multiblock copolymers (MBCPs) are an emerging class of materials that are becoming more accessible in recent years. However, to date there is still a lack of fundamental understanding of their physical properties. In particular, the glass transition temperature (Tg) which is known to be affected by the phase separation has not been well characterized experimentally. To this end, we report the first experimental study on the evolution of the Tgs and the corresponding phase separation of linear MBCPs with increasing number of blocks while keeping the overall degree of polymerization (DP) constant (DP = 200). Ethylene glycol methyl ether acrylate (EGMEA) and tert-butyl acrylate (tBA) were chosen as monomers for reversible addition-fragmentation chain transfer polymerization to synthesize MBCPs. We found the Tgs (as measured by differential scanning calorimetry) of EGMEA and tBA segments within the MCBPs to converge with increasing number of blocks and decreasing block length, correlating with the loss of the heterogeneity as observed from small-angle X-ray scattering (SAXS) analysis. The Tgs of the multiblock copolymers were also compared to the Tgs of the polymer blends of the corresponding homopolymers, and we found that Tgs of the polymer blends were similar to those of the respective homopolymers, as expected. SAXS experiments further demonstrated microphase separation of multiblock copolymers. This work demonstrates the enormous potential of multiblock architectures to tune the physical properties of synthetic polymers, by changing their glass transition temperature and their morphologies obtained from microphase separation, with domain sizes reaching under 10 nm