6,313 research outputs found

    Universal reshaping of arrested colloidal gels via active doping

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    Colloids that interact via a short-range attraction serve as the primary building blocks for a broad range of self-assembled materials. However, one of the well-known drawbacks to this strategy is that these building blocks rapidly and readily condense into a metastable colloidal gel. Using computer simulations, we illustrate how the addition of a small fraction of purely repulsive self-propelled colloids, a technique referred to as active doping, can prevent the formation of this metastable gel state and drive the system toward its thermodynamically favored crystalline target structure. The simplicity and robust nature of this strategy offers a systematic and generic pathway to improving the self-assembly of a large number of complex colloidal structures. We discuss in detail the process by which this feat is accomplished and provide quantitative metrics for exploiting it to modulate self-assembly. We provide evidence for the generic nature of this approach by demonstrating that it remains robust under a number of different anisotropic short-ranged pair interactions in both two and three dimensions. In addition, we report on a novel microphase in mixtures of passive and active colloids. For a broad range of self-propelling velocities, it is possible to stabilize a suspension of fairly monodisperse finite-size crystallites. Surprisingly, this microphase is also insensitive to the underlying pair interaction between building blocks. The active stabilization of these moderately-sized monodisperse clusters is quite remarkable and should be of great utility in the design of hierarchical self-assembly strategies. This work further bolsters the notion that active forces can play a pivotal role in directing colloidal self-assembly.Comment: Supplemental Material available here: https://aip.scitation.org/doi/suppl/10.1063/5.001651

    Universal reshaping of arrested colloidal gels via active doping

    Get PDF
    Colloids that interact via a short-range attraction serve as the primary building blocks for a broad range of self-assembled materials. However, one of the well-known drawbacks to this strategy is that these building blocks rapidly and readily condense into a metastable colloidal gel. Using computer simulations, we illustrate how the addition of a small fraction of purely repulsive self-propelled colloids, a technique referred to as active doping, can prevent the formation of this metastable gel state and drive the system toward its thermodynamically favored crystalline target structure. The simplicity and robust nature of this strategy offers a systematic and generic pathway to improving the self-assembly of a large number of complex colloidal structures. We discuss in detail the process by which this feat is accomplished and provide quantitative metrics for exploiting it to modulate the self-assembly. We provide evidence for the generic nature of this approach by demonstrating that it remains robust under a number of different anisotropic short-ranged pair interactions in both two and three dimensions. In addition, we report on a novel microphase in mixtures of passive and active colloids. For a broad range of self-propelling velocities, it is possible to stabilize a suspension of fairly monodisperse finite-size crystallites. Surprisingly, this microphase is also insensitive to the underlying pair interaction between building blocks. The active stabilization of these moderately sized monodisperse clusters is quite remarkable and should be of great utility in the design of hierarchical self-assembly strategies. This work further bolsters the notion that active forces can play a pivotal role in directing colloidal self-assembly

    The Lemaitre-Schwarzschild Problem Revisited

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    The Lemaitre and Schwarzschild analytical solutions for a relativistic spherical body of constant density are linked together through the use of the Weyl quadratic invariant. The critical radius for gravitational collapse of an incompressible fluid is shown to vary continuously from 9/8 of the Schwarzschild radius to the Schwarzschild radius itself while the internal pressures become locally anisotropic.Comment: Final version as accepted by GR&G (to appear in vol. 34, september 2002

    Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

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    GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

    Observation of enhanced rate coefficients in the H2+_2^+ + H2_2 →\rightarrow H3+_3^+ + H reaction at low collision energies

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    The energy dependence of the rate coefficient of the H2+ +H2→H3++H_2^+\ + {\rm H}_2 \rightarrow {\rm H}_3^+ + {\rm H} reaction has been measured in the range of collision energies between kB⋅10k_\mathrm{B}\cdot 10 K and kB⋅300k_\mathrm{B}\cdot 300 mK. A clear deviation of the rate coefficient from the value expected on the basis of the classical Langevin-capture behavior has been observed at collision energies below kB⋅1k_\mathrm{B}\cdot 1 K, which is attributed to the joint effects of the ion-quadrupole and Coriolis interactions in collisions involving ortho-H2_2 molecules in the j=1j = 1 rotational level, which make up 75% of the population of the neutral H2_2 molecules in the experiments. The experimental results are compared to very recent predictions by Dashevskaya, Litvin, Nikitin and Troe (J. Chem. Phys., in press), with which they are in agreement.Comment: 14 pages, 3 figure

    Coherent control of enrichment and conversion of molecular spin isomers

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    A theoretical model of nuclear spin conversion in molecules controlled by an external electromagnetic radiation resonant to rotational transition has been developed. It has been shown that one can produce an enrichment of spin isomers and influence their conversion rates in two ways, through coherences and through level population change induced by radiation. Influence of conversion is ranged from significant speed up to almost complete inhibition of the process by proper choice of frequency and intensity of the external field.Comment: REVTEX, 13 pages + 6 eps figure
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