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

Additive manufacturing of metallic components – Process, structure and properties

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The Theory of Industrial Organization

Two-photon excitation provides a means of activating chemical or physical processes with high spatial resolution in three dimensions and has made possible the development of three-dimensional fluorescence imaging, optical data storage, and lithographic microfabrication. These applications take advantage of the fact that the two-photon absorption probability depends quadratically on intensity, so under tight-focusing conditions, the absorption is confined at the focus to a volume of order λ3 (where λ is the laser wavelength). Any subsequent process, such as fluorescence or a photoinduced chemical reaction, is also localized in this small volume. Although three-dimensional data storage and microfabrication have been illustrated using two-photon-initiated polymerization of resins incorporating conventional ultraviolet-absorbing initiators, such photopolymer systems exhibit low photosensitivity as the initiators have small two-photon absorption cross-sections (δ). Consequently, this approach requires high laser power, and its widespread use remains impractical. Here we report on a class of π;-conjugated compounds that exhibit large δ (as high as 1, 250 × 10−50 cm4 s per photon) and enhanced two-photon sensitivity relative to ultraviolet initiators. Two-photon excitable resins based on these new initiators have been developed and used to demonstrate a scheme for three-dimensional data storage which permits fluorescent and refractive read-out, and the fabrication of three-dimensional micro-optical and micromechanical structures, including photonic-bandgap-type structures.

Two-photon polymerization initiators for three-dimensional optical data storage and microfabrication

Additive manufacturing (AM) is poised to bring about a revolution in the way products are designed, manufactured, and distributed to end users. This technology has gained significant academic as well as industry interest due to its ability to create complex geometries with customizable material properties. AM has also inspired the development of the maker movement by democratizing design and manufacturing. Due to the rapid proliferation of a wide variety of technologies associated with AM, there is a lack of a comprehensive set of design principles, manufacturing guidelines, and standardization of best practices. These challenges are compounded by the fact that advancements in multiple technologies (for example materials processing, topology optimization) generate a "positive feedback loop" effect in advancing AM. In order to advance research interest and investment in AM technologies, some fundamental questions and trends about the dependencies existing in these avenues need highlighting. The goal of our review paper is to organize this body of knowledge surrounding AM, and present current barriers, findings, and future trends significantly to the researchers. We also discuss fundamental attributes of AM processes, evolution of the AM industry, and the affordances enabled by the emergence of AM in a variety of areas such as geometry processing, material design, and education. We conclude our paper by pointing out future directions such as the "print-it-all" paradigm, that have the potential to re-imagine current research and spawn completely new avenues for exploration. The fundamental attributes and challenges/barriers of Additive Manufacturing (AM).The evolution of research on AM with a focus on engineering capabilities.The affordances enabled by AM such as geometry, material and tools design.The developments in industry, intellectual property, and education-related aspects.The important future trends of AM technologies.

The status, challenges, and future of additive manufacturing in engineering

A Gaussian mixture filter with adaptive refinement for nonlinear state estimation

Experimental evidence (Shin, 1992) has shown that the natural frequencies of high-speed spindles with angular contact ball bearings decrease with increasing rotational speed. A recent study (Wang et al., 1991) illustrated that this phenomenon is caused by stiffness change of the bearings. A simplified approximation was used in the past analysis to examine the bearing radial stiffness at high speeds. While the investigation explained the experimental observations in a qualitative sense, the analytical results so far are not sufficient to quantitatively describe the spindle behavior under high speed and load operations due to the assumptions and approximations made in the modeling process. This paper presents an integrated approach toward the modeling of flexible spindles with angular contact ball bearings from basic principles. The local dynamics of the bearings are coupled with the global shaft motion. The model derived includes both the longitudinal and transverse vibrations of the shaft interacting with the nonlinear bearings. The influences of shaft speed on the bearing stiffness matrix and the system frequencies are studied. It is shown that the spindle dynamic behavior can vary substantially as speed increases due to the bearing gyroscopic moment and centrifugal force. These effects have been ignored in most of the previous spindle models. This unique characteristic, which is critical to high-speed machinery, is rigorously studied for the first time. Lab tests are conducted to validate the model. The analytical predictions are quantitatively verified by the experimental results.

An Integrated Approach Toward the Dynamic Analysis of High-Speed Spindles: Part I — System Model

Methods capable of forming holes in, etching the surface of, or otherwise ablating substrates, and substrates formed thereby. A first method includes directing a first laser beam pulse towards a substrate to form a hole in a surface thereof and to form a plasma plume at least partially within the hole wherein the plasma plume has insufficient thermal energy and expansion velocity to etch sidewall of the hole, and directing a second laser beam pulse into the plasma plume to increase the temperature and expansion velocity of the plasma plume such that the sidewall is etched causing an increase in the cross-sectional dimension of the hole. A second method includes applying a liquid to a surface of a substrate, and directing a laser beam pulse into the liquid to create plasma on the surface of the substrate that etches portions of the surface of the substrate.

Yung C. Shin

Papers

A Gaussian mixture filter with adaptive refinement for nonlinear state estimation

An Integrated Approach Toward the Dynamic Analysis of High-Speed Spindles: Part I — System Model

Methods of forming holes and etching surfaces in substrates and substrates formed thereby

Prediction of initial transient behavior with stationary heating during laser powder bed fusion processes

Environment Severity Factors and Their Applications in FPSO Hull Strength Assessment