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 American Society for Testing and Materials (ASTM) is an independent organization devoted to the development of standards.

American Society for Testing and Materials

This is a review of Collected Works of John Tate. Parts I, II, edited by Barry Mazur and Jean-Pierre Serre. American Mathematical Society, Providence, Rhode Island, 2016. For several decades it has been clear to the friends and colleagues of John Tate that a “Collected Works” was merited. The award of the Abel Prize to Tate in 2010 added impetus, and finally, in Tate’s ninety-second year we have these two magnificent volumes, edited by Barry Mazur and Jean-Pierre Serre. Beyond Tate’s published articles, they include five unpublished articles and a selection of his letters, most accompanied by Tate’s comments, and a collection of photographs of Tate. For an overview of Tate’s work, the editors refer the reader to [4]. Before discussing the volumes, I describe some of Tate’s work. 1. Hecke L-series and Tate’s thesis Like many budding number theorists, Tate’s favorite theorem when young was Gauss’s law of quadratic reciprocity. When he arrived at Princeton as a graduate student in 1946, he was fortunate to find there the person, Emil Artin, who had discovered the most general reciprocity law, so solving Hilbert’s ninth problem. By 1920, the German school of algebraic number theorists (Hilbert, Weber, . . .) together with its brilliant student Takagi had succeeded in classifying the abelian extensions of a number field K: to each group I of ideal classes in K, there is attached an extension L of K (the class field of I); the group I determines the arithmetic of the extension L/K, and the Galois group of L/K is isomorphic to I. Artin’s contribution was to prove (in 1927) that there is a natural isomorphism from I to the Galois group of L/K. When the base field contains an appropriate root of 1, Artin’s isomorphism gives a reciprocity law, and all possible reciprocity laws arise this way. In the 1930s, Chevalley reworked abelian class field theory. In particular, he replaced “ideals” with his “idèles” which greatly clarified the relation between the local and global aspects of the theory. For his thesis, Artin suggested that Tate do the same for Hecke L-series. When Hecke proved that the abelian L-functions of number fields (generalizations of Dirichlet’s L-functions) have an analytic continuation throughout the plane with a functional equation of the expected type, he saw that his methods applied even to a new kind of L-function, now named after him. Once Tate had developed his harmonic analysis of local fields and of the idèle group, he was able prove analytic continuation and functional equations for all the relevant L-series without Hecke’s complicated theta-formulas. Received by the editors September 5, 2016. 2010 Mathematics Subject Classification. Primary 01A75, 11-06, 14-06. c ©2017 American Mathematical Society

The collected works

Dynamics of structures

A self-scanned 1024 element photodiode array and minicomputer are used to measure the phase (wavefront) in the interference pattern of an interferometer to lambda/100. The photodiode array samples intensities over a 32 x 32 matrix in the interference pattern as the length of the reference arm is varied piezoelectrically. Using these data the minicomputer synchronously detects the phase at each of the 1024 points by a Fourier series method and displays the wavefront in contour and perspective plot on a storage oscilloscope in less than 1 min (Bruning et al. Paper WE16, OSA Annual Meeting, Oct. 1972). The array of intensities is sampled and averaged many times in a random fashion so that the effects of air turbulence, vibrations, and thermal drifts are minimized. Very significant is the fact that wavefront errors in the interferometer are easily determined and may be automatically subtracted from current or subsequent wavefrots. Various programs supporting the measurement system include software for determining the aperture boundary, sum and difference of wavefronts, removal or insertion of tilt and focus errors, and routines for spatial manipulation of wavefronts. FFT programs transform wavefront data into point spread function and modulus and phase of the optical transfer function of lenses. Display programs plot these functions in contour and perspective. The system has been designed to optimize the collection of data to give higher than usual accuracy in measuring the individual elements and final performance of assembled diffraction limited optical systems, and furthermore, the short loop time of a few minutes makes the system an attractive alternative to constraints imposed by test glasses in the optical shop.

Digital wavefront measuring interferometer for testing optical surfaces and lenses

Electromigration of solder joint under high dc current density is known as a reliability concern for the future high-density flip chip packaging and power packaging. Biased mass diffusion within solder joint from cathode to anode under high dc current density is observed in these experiments. In this letter, the experiments on flip chip solder joints under dc current stressing are conducted and thermomigration due to the thermal gradient in the solder joint caused by joule heating is reported. A three-dimensional coupled electric thermal finite-element (FE) simulation of a realistic flip chip module shows the existence of thermal gradient in the solder joint which is high enough to trigger thermomigration.

Thermomigration in Pb–Sn solder joints under joule heating during electric current stressing

Damage mechanics describes the degradation process that takes place in materials and structures. Traditionally, Coffin–Manson type empirical curves are used to determine the fatigue life. Damage mechanics allows us to determine the fatigue life without the need for empirical curves. The main problem in damage mechanics has always been a lack of universally agreed upon definition of a damage metric. In this paper a damage metric based on the second law of thermodynamics and statistical mechanics is presented. The proposed thermodynamic framework treats a solid body as a thermodynamic system and requires that the entropy production be nonnegative. Verification of the damage model has been performed by extensive comparisons with laboratory test data of low cycle fatigue of Pb40/Sn60 solder alloy.

A Thermodynamic Framework for Damage Mechanics of Solder Joints

The entropy production is a non-negative quantity based on irreversible thermodynamics and thus serves as a basis for the systematic description of the irreversible processes occurring in a solid. In this paper, a thermodynamic framework has been presented for damage mechanics of solid materials, where entropy production is used as the sole measure of damage evolution in the system. As a result, there is no need for physically meaningless empirical parameters to define a phenomenological damage potential surface or a Weibull function to trace damage evolution in solid continuum. In order to validate the model, predictions are compared with experimental results, which indicates that entropy production can be used as a damage evolution metric. The theory is founded on the basic premise that a solid continuum obeys the first and the second laws of thermodynamics.

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An Irreversible Thermodynamics Theory for Damage Mechanics of Solids

Failure modes and FEM analysis of power electronic packaging

The development of power electronics technology is driven by the insatiate demand to control electrical power. The new power electronics devices reduce the volume of the converters by three to four orders of magnitude compared to their mercury arc predecessor. And the turn-on and turn-o0 time has decreased from milliseconds to the microseconds and even nanoseconds, depending on power level. The power range commanded by converters now extends from micro-VA to several hundreds of mega-MVA. Among the new power devices, insulated gate bipolar transistor (IGBT) devices are being more accepted and increasingly used in traction application such as locomotive, elevator, tram and subway. Thus the long-term reliability of IGBT is highly demanded. In this paper the failure modes of power electronics devices especially IGBTs are reviewed. A FEM analysis of a multilayered IGBT packaging module under cyclic thermal loading is presented.? 2001 Elsevier Science B.V. All rights reserved.

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Cemal Basaran

Papers

Thermomigration in Pb–Sn solder joints under joule heating during electric current stressing

A Thermodynamic Framework for Damage Mechanics of Solder Joints

An Irreversible Thermodynamics Theory for Damage Mechanics of Solids

Failure modes and FEM analysis of power electronic packaging

Failure modes and FEM analysis of power electronic packaging