Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Hydrogel Adhesion: A Supramolecular Synergy of Chemistry, Topology, and Mechanics

The use of few stiff fibers to control the deformation of dielectric elastomer actuators, in particular to break the symmetry of equi-biaxial lateral strain in the absence of prestretch, is demonstrated. Actuators with patterned fibers are shown to evolve into unique shapes upon electrical actuation, enabling novel designs of gripping actuators for soft robotics.

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Dielectric Elastomer Based “Grippers” for Soft Robotics

ilicone elastomers are promising materials for dielectric elastomer transducers (DETs) due to their superior properties such as high efficiency, reliability and fast response times. DETs consist of thin elastomer films sandwiched between compliant electrodes, and they constitute an interesting class of transducer due to their inherent lightweight and potentially large strains. For the field to progress towards industrial implementation, a leap in material development is required, specifically targeting longer lifetime and higher energy densities to provide more efficient transduction at lower driving voltages. In this review, the current state of silicone elastomers for DETs is summarised and critically discussed, including commercial elastomers, composites, polymer blends, grafted elastomers and complex network structures. For future developments in the field it is essential that all aspects of the elastomer are taken into account, namely dielectric losses, lifetime and the very often ignored polymer network integrity and stability.

/pdf/the-current-state-of-silicone-based-dielectric-elastomer-4rh1dkm4oj.pdf

The Current State of Silicone-Based Dielectric Elastomer Transducers.

A membrane of a dielectric elastomer deforms when a voltage is applied through its thickness. The achievable voltage-induced deformation is strongly affected by how mechanical loads are applied. Large voltage-induced deformation has been demonstrated for a membrane under equal-biaxial forces, but only small voltage-induced deformation has been observed for a membrane under a uniaxial force. This difference is interpreted here theoretically. The theory also predicts that, when the deformation of a membrane is constrained in one direction, a voltage applied through the thickness of the membrane can cause it to deform substantially in the other direction. Experiments are performed on membranes under equal-biaxial forces and uniaxial forces, as well as on fiber-constrained membranes of two types: a dielectric elastomer membrane with carbon fibers on both faces, and two dielectric elastomer membranes sandwiching nylon fibers. The experimental observations are compared with the theory.

/pdf/dielectric-elastomer-actuators-under-equal-biaxial-forces-10w3z5pjde.pdf

Dielectric elastomer actuators under equal-biaxial forces, uniaxial forces, and uniaxial constraint of stiff fibers

Fatigue of double-network hydrogels

Cylindrical actuators are made with dielectric elastomer sheets stiffened with fibers in the hoop direction. When a voltage is applied through the thickness of the sheets, large actuation strains are achievable in the axial direction, with or without pre-straining and mechanical loading. For example, actuation strains of 35.8% for a cylinder with a prestrain of 40%, and 28.6% for a cylinder without pre-strain have been achieved without any optimization. Furthermore, the actuation strain is independent of the aspect ratio of the cylinder, so that both large strains and large displacements are readily actuated by using long cylinders.

/pdf/large-uni-directional-actuation-in-dielectric-elastomers-2yb0nx0rtr.pdf

Tongqing Lu

Papers

Dielectric elastomer actuators under equal-biaxial forces, uniaxial forces, and uniaxial constraint of stiff fibers

Fatigue of double-network hydrogels

Large, Uni-directional Actuation in Dielectric Elastomers Achieved By Fiber Stiffening

A Universal Strategy for Tough Adhesion of Wet Soft Material

Mechanics of dielectric elastomer structures: A review