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

The review deals with drop impacts on thin liquid layers and dry surfaces. The impacts resulting in crown formation are referred to as splashing. Crowns and their propagation are discussed in detail, as well as some additional kindred, albeit nonsplashing, phenomena like drop spreading and deposition, receding (recoil), jetting, fingering, and rebound. The review begins with an explanation of various practical motivations feeding the interest in the fascinating phenomena of drop impact, and the above-mentioned topics are then considered in their experimental, theoretical, and computational aspects.

Drop Impact Dynamics: Splashing, Spreading, Receding, Bouncing ...

Inkjet printing is viewed as a versatile manufacturing tool for applications in materials fabrication in addition to its traditional role in graphics output and marking. The unifying feature in all these applications is the dispensing and precise positioning of very small volumes of fluid (1–100 picoliters) on a substrate before transformation to a solid. The application of inkjet printing to the fabrication of structures for structural or functional materials applications requires an understanding as to how the physical processes that operate during inkjet printing interact with the properties of the fluid precursors used. Here we review the current state of understanding of the mechanisms of drop formation and how this defines the fluid properties that are required for a given liquid to be printable. The interactions between individual drops and the substrate as well as between adjacent drops are important in defining the resolution and accuracy of printed objects. Pattern resolution is limited by the extent to which a liquid drop spreads on a substrate and how spreading changes with the overlap of adjacent drops to form continuous features. There are clearly defined upper and lower bounds to the width of a printed continuous line, which can be defined in terms of materials and process variables. Finer-resolution features can be achieved through appropriate patterning and structuring of the substrate prior to printing, which is essential if polymeric semiconducting devices are to be fabricated. Low advancing and receding contact angles promote printed line stability but are also more prone to solute segregation or “coffee staining” on drying.

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Inkjet Printing of Functional and Structural Materials: Fluid Property Requirements, Feature Stability, and Resolution

Thermophysical Properties Research Literature Retrieval Guide Edited by Y. S. Touloukian, J. K. Gerritsen and N. Y. Moore Second edition, revised and expanded. Book 1: Pp. xxi + 819. Book 2: Pp.621. Book 3: Pp. ix + 1315. (New York: Plenum Press, 1967.) n.p.

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Heat and Mass Transfer

Preface 1.General Considerations 2.Basic Processes in Atomization 3.Drop Size Distributions of Sprays 4.Atomizers 5.Flow in Atomizers 6.Atomizer Performance 7.External Spray Charcteristics 8.Drop Evaporation 9.Drop Sizing Methods Index

Atomization and Sprays

The normal impact of liquid drops onto solid, dry surfaces has been studied experimentally, using high-resolution digital photography. A large number of parameters were varied in a systematic manner. The focus of this paper is the quantitative determination of the influence of these parameters on the drop spreading upon impact and on the phenomenological description of the outcomes. Dimensional similarity of the spreading can only be achieved for the very early stage of the impact process. At later stages, the number of influencing factors increases, generally precluding any universal correlation. Particular emphasis is placed on the influence of the wettability and the surface roughness on spreading.

Time evolution of liquid drop impact onto solid, dry surfaces

Outcomes from a drop impact on solid surfaces

The impact of single drops on a thin liquid film was studied to understand the mechanism of secondary atomisation of sprays colliding on a wetted, cold, solid surface. To span a wide range of conditions various mixtures of water and glycerol were used. The use of Weber number, Ohnesorge number and non-dimensional film thickness to describe the peculiarities of the phenomenon allowed to carry out the experiments under appropriate similarity conditions. The impact of millimetric drops was analysed in detail by photographic means, using both still photography to study impact morphology, and laser sheet visualisation to investigate secondary droplet formation. Two mechanisms of splash were identified, depending essentially on the liquid viscosity (Ohnesorge number), a parameter which appears to play an important role also in defining the splash morphology. A photographic documentation is annexed. The characteristic times of the crown formation, the non-linear evolution of cusps (jet formation) and the surface roughness influence are further discussed. The experimental results allow to propose an empirical correlation for the splashing/deposition limit, for a wide range of conditions, and a comparison to available previous works is presented. The influence of the film thickness and liquid viscosity on the splash is confirmed and quantified.

Marco Marengo

Papers

Time evolution of liquid drop impact onto solid, dry surfaces

Outcomes from a drop impact on solid surfaces

The impact of a single drop on a wetted solid surface

Understanding the effect of superhydrophobic coatings on energy reduction in anti-icing systems

Analysis of impact of droplets on horizontal surfaces