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

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

International Technology Roadmap for Semiconductors 2003の要求清浄度について － シリコンウエハ表面と雰囲気環境に要求される清浄度, 分析方法の現状について －

A strain sensor has been fabricated from a polymer nanocomposite with multiwalled carbon nanotube (MWNT) fillers. The piezoresistivity
of this nanocomposite strain sensor has been investigated based on an improved three-dimensional (3D) statistical resistor network
model incorporating the tunneling effect between the neighboring carbon nanotubes (CNTs), and a fiber reorientation model. The
numerical results agree very well with the experimental measurements. As compared with traditional strain gauges, much higher sensitivity
can be obtained in the nanocomposite sensors when the volume fraction of CNT is close to the percolation threshold. For a small
CNT volume fraction, weak nonlinear piezoresistivity is observed both experimentally and from numerical simulation. The tunneling
effect is considered to be the principal mechanism of the sensor under small strains.

Tunneling effect in a polymer/carbon nanotube nanocompositestrain sensor

A system includes a semiconductor device. The semiconductor device includes a first single crystal silicon layer comprising first transistors, first alignment marks, and at least one metal layer overlying the first single crystal silicon layer, wherein the at least one metal layer comprises copper or aluminum more than other materials; and a second single crystal silicon layer overlying the at least one metal layer. The second single crystal silicon layer comprises a plurality of second transistors arranged in substantially parallel bands. Each of a plurality of the bands comprises a portion of the second transistors along an axis in a repeating pattern.

System comprising a semiconductor device and structure

Changing the metallization material for power electronics from aluminum to copper to increase the lifetime needs a deeper understanding of how the materials behave during production and service. Electrochemical deposited copper (ECD) and sputtered aluminum layers are characterized. Nanoindentation measurements in combination with reverse simulation is used to fit material models. Fatigue experiments show that higher strength and stain hardening in copper layers reduces the fatigue damage on free surfaces. The damage behavior remains similar, dislocation movement on slip-planes out of the surface. Wafer bow measurements are used to characterize the stress development in the layers up to 400°C. For annealed ECD copper the intrinsic stress is higher compared to AlCu.

Lifetime modeling of copper metallization for SiC power electronics

Cu sintering is one of the emerging technologies in the field of micro- and power electronics where operating temperatures higher than 150°C are required. At these temperatures, solder joints reach their limits due to high homologous temperatures. Hence, Cu sintered joints can serve as a substitute for these soft solder joints, being advantageous also with respect to thermo-dynamic stability, fatigue resistance, electrical conductance and cost. This paper addresses failure analysis of sintered (neck-based) All-Cu electrical interconnects (NEI) along with soldered SnAg3.5 and transient liquid phase bonded (TLPB) specimens which form an SnCu intermetallic (IMC) and are used in a homogenous Si-Si flip chip assembly for fine pitch interconnects. The SnAg3.5 solder serves as a benchmark for the NEIs and the TLPB joints. All the flip chip specimens were free of underfill material. The test samples were assembled on spring steel substrates using a Silicone-based adhesive for a low stress bond and then put under isothermal accelerated fatigue tests using 4-point bending at low-homologous temperatures (R.T.). The reliability investigation involves monitoring of electrical resistance as a failure indicator for interconnect fatigue. A failure criterion at 20% increase in resistance is defined to establish a correlation between the experimental failure times and resistance. The fatigue behaviour of the joints was also studied using Finite Elements analysis (FEA). The focus of the modelling was towards the behaviour of the critical joint. Cross-sections were prepared and analysed using optical microscopy and SEM to investigate the failure mode and mechanism.

Thermo-mechanical reliability of sintered all-Cu electrical fine pitch interconnects under isothermal fatigue testing benchmarked against soldered and TLP-bonded SnAg3.5 joints

A nanoscopic simulation for an acceleration sensor is aimed based on the piezoresistive effect of carbon nanotubes (CNTs). Therefore, a compact model is built from density functional theory (DFT), compared with results of molecular dynamics (MD) that describes the mechanics of carbon nanotubes in a parameterized way. The results for the interesting kind of CNTs [(6,3) and (7,4)] within the two approaches agree in a satisfying way, when DFT-calculations are performed with atomic configurations obtained by MD geometry optimization. Geometry optimization yields the Poisson ratio for CNTs. Thus, values from MD and DFT are compared. The simulation finally aims the modeling of the conductive behavior of CNTs when strain is applied, but this needs further verification. Here, we present the prediction of the tight binding model for suitable CNTs.

Nanomechanics of CNTs for Sensor Application

In this paper we present a holistic wafer-level manufacturing process for nanoscopic sensor devices based on individualized single-wall carbon nanotubes (SWCNTs) integrated in MEMS. The fabrication technology is demonstrated in detail. Moreover, a first application in form of a MEMS test stage for SWCNT strain and reliability experiments is shown.

Wafer-level technology for integration of carbon nanotubes into micro-electro-mechanical systems

Aluminium is still one of the most important contact metallisation for power electronic chips like MOSFETs or IGBTs. With a large difference in thermal expansion coefficients (CTEs) between aluminium and silicon or silicon carbide, and the temperatures generated in hot-spots during high power transients, these layers are prone to failure due to thermo-mechanical fatigue. Usually lifetime assessment is done by subjecting dedicated test specimens to standardised stress tests as e.g. thermal cycling.This paper builds on previous work about a method for accelerated stress testing and lifetime modelling of thin aluminium films in the high-cycle fatigue regime by isothermal mechanical loads using Si MEMS cantilevers as sample carriers. By using a new design including two AlN piezos, it is now possible to realize a closed loop control without the need for an external shaker and an optical setup to measure the cantilever amplitude during the fatiguing. It is shown, that a chooseable amplitude could be kept stable for days, allowing more than 108 cycles. The test method could complement or replace expensive and lengthy thermal cycling and allows in-situ monitoring of failure.

Bernhard Wunderle

Papers

Lifetime modeling of copper metallization for SiC power electronics

Thermo-mechanical reliability of sintered all-Cu electrical fine pitch interconnects under isothermal fatigue testing benchmarked against soldered and TLP-bonded SnAg3.5 joints

Nanomechanics of CNTs for Sensor Application

Wafer-level technology for integration of carbon nanotubes into micro-electro-mechanical systems

High-Cycle Fatigue Testing of thin Metal Films on MEMS Cantilever