A study for the static properties of symmetric linear multiblock copolymers under poor solvent conditions

We use a standard bead-spring model and molecular dynamics simulations to study the static properties of symmetric linear multiblock copolymer chains and their blocks under poor solvent conditions in a dilute solution from the regime close to theta conditions, where the chains adopt a coil-like formation, to the poorer solvent regime where the chains collapse obtaining a globular formation and phase separation between the blocks occurs. We choose interaction parameters as is done for a standard model, i.e., the Lennard-Jones fluid and we consider symmetric chains, i.e., the multiblock copolymer consists of an even number $n$ of alternating chemically different A and B blocks of the same length $N_{A}=N_{B}=N$. We show how usual static properties of the individual blocks and the whole multiblock chain can reflect the phase behavior of such macromolecules. Also, how parameters, such as the number of blocks $n$ can affect properties of the individual blocks, when chains are in a poor solvent for a certain range of $n$. A detailed discussion of the static properties of these symmetric multiblock copolymers is also given. Our results in combination with recent simulation results on the behavior of multiblock copolymer chains provide a complete picture for the behavior of these macromolecules under poor solvent conditions, at least for this most symmetrical case. Due to the standard choice of our parameters, our system can be used as a benchmark for related models, which aim at capturing the basic aspects of the behavior of various biological systems.Comment: 13 pages, 11 figure

Structure of bottle-brush brushes under good solvent conditions. A molecular dynamics study

We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are performed. We consider a broad range of parameters and present numerical results for the monomer density profile, density of the untethered ends of the grafted flexible backbones and the correlation function describing the range that neighboring grafted bottle-brushes are affected by the presence of the others due to the excluded volume interactions. The end beads of the flexible backbones of the grafted bottle-brushes do not access the region close to the rigid backbone due to the presence of the side chains of the grafted bottle-brush polymers, which stretch further the chains in the radial directions. Although a number of different correlation lengths exist as a result of the complex structure of these macromolecules, their properties can be tuned with high accuracy in good solvents. Moreover, qualitative differences with "typical" bottle-brushes are discussed. Our results provide a first approach to characterizing such complex macromolecules with a standard bead spring model.Comment: To appear in Journal of Physics Condensed Matter (2011

Analytic vortex solutions in an unusual Mexican hat potential

We introduce an unusual Mexican hat potential, a piecewise parabolic one, and we show that its vortex solutions can be found analytically, in contrast to the case of the standard Psi^4 field theory.Comment: 4 pages and 1 figure (missing in this version

Self-assembly of DNA-functionalized colloids

Colloidal particles grafted with single-stranded DNA (ssDNA) chains can self-assemble into a number of different crystalline structures, where hybridization of the ssDNA chains creates links between colloids stabilizing their structure. Depending on the geometry and the size of the particles, the grafting density of the ssDNA chains, and the length and choice of DNA sequences, a number of different crystalline structures can be fabricated. However, understanding how these factors contribute synergistically to the self-assembly process of DNA-functionalized nano- or micro-sized particles remains an intensive field of research. Moreover, the fabrication of long-range structures due to kinetic bottlenecks in the self-assembly are additional challenges. Here, we discuss the most recent advances from theory and experiment with particular focus put on recent simulation studies

SCABBARD: single-node fault-tolerant stream processing

Single-node multi-core stream processing engines (SPEs) can process hundreds of millions of tuples per second. Yet making them fault-tolerant with exactly-once semantics while retaining this performance is an open challenge: due to the limited I/O bandwidth of a single-node, it becomes infeasible to persist all stream data and operator state during execution. Instead, single-node SPEs rely on upstream distributed systems, such as Apache Kafka, to recover stream data after failure, necessitating complex cluster-based deployments. This lack of built-in fault-tolerance features has hindered the adoption of single-node SPEs.We describe Scabbard, the first single-node SPE that supports exactly-once fault-tolerance semantics despite limited local I/O bandwidth. Scabbard achieves this by integrating persistence operations with the query workload. Within the operator graph, Scabbard determines when to persist streams based on the selectivity of operators: by persisting streams after operators that discard data, it can substantially reduce the required I/O bandwidth. As part of the operator graph, Scabbard supports parallel persistence operations and uses markers to decide when to discard persisted data. The persisted data volume is further reduced using workload-specific compression: Scabbard monitors stream statistics and dynamically generates computationally efficient compression operators. Our experiments show that Scabbard can execute stream queries that process over 200 million tuples per second while recovering from failures with sub-second latencies

Market-driving strategy and personnel attributes: top management versus middle management

This study focuses on the role that personnel attributes play during the implementation of a market-driving strategy, a topic that has heretofore received limited academic attention. Contrary to the traditional reactive market-driven approach, the proactive market-driving approach pertains to influencing the market structure and/or the market players’ behavior in a direction that enhances the firm’s competitive posture. Using a qualitative research design, it is empirically demonstrated for the first time that specific characteristics of the top management (i.e., open-minded policy, strong vision, strategic human resource management, transformational leadership, prediction skills and insightfulness, fostering creativity), as well as certain traits of middle-level employees (i.e., open-minded policy, transformational leadership, creativity, expertise, intrapreneurship, commitment, flexibility) are of central importance to the market-driving concept. Relevant research propositions are formulated and their respective implications are discussed

Phase behavior of symmetric linear multiblock copolymers

Molecular dynamics simulations are used to study the phase behavior of a single linear multiblock copolymer with blocks of A- and B-type monomers under poor solvent conditions, varying the block length $N$, number of blocks $n$, and the solvent quality (by variation of the temperature $T$). The fraction $f$ of A-type monomers is kept constant and equal to 0.5, and always the lengths of A and B blocks were equal ($N_{A}=N_{B}=N$), as well as the number of blocks ($n_{A}=n_{B}=n$). We identify the three following regimes where: (i) full microphase separation between blocks of different type occurs (all blocks of A-type monomers form a single cluster, while all blocks of B-type monomers form another), (ii) full microphase separation is observed with a certain probability, and (iii) full microphase separation can not take place. For very high number of blocks $n$ and very high $N$ (not accessible to our simulations) further investigation is needed.Comment: 5 pages, 4 figures, to be published in Europhys. Let

Mesophase formation in two-component cylindrical bottle-brush polymers

When two types of side chains (A,B) are densely grafted to a (stiff) backbone and the resulting bottle-brush polymer is in a solution under poor solvent conditions, an incompatibility between A and B leads to microphase separation in the resulting cylindrical brush. The possible types of ordering are reminiscent of the ordering of block copolymers in cylindrical confinement. Starting from this analogy, Leibler's theory of microphase separation in block copolymer melts is generalized to derive a description of the system in the weak segregation limit. Also molecular dynamics simulation results of a corresponding coarse-grained bead-spring model are presented. Using side chain lengths up to N = 50 effective monomers, the ratio of the Lennard-Jones energy parameter between unlike monomers $(\epsilon_{AB})$ and monomers of the same kind $(\epsilon _{AA} = \epsilon_{BB})$ is varied. Various correlation functions are analyzed to study the conditions when (local) Janus cylinder-type ordering and when (local) microphase separation in the direction along the cylinder axis occurs. Both the analytical theory and the simulations give evidence for short range order due to a tendency towards microphase separation in the axial direction, with a wavelength proportional to the side chain gyration radius, irrespective of temperature and grafting density, for a wide range of these parameters.Comment: 26 pages, 19 figure