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

Energy harvested directly from sunlight offers a desirable approach toward fulfilling, with minimal environmental impact, the need for clean energy. Solar energy is a decentralized and inexhaustible natural resource, with the magnitude of the available solar power striking the earth’s surface at any one instant equal to 130 million 500 MW power plants.1 However, several important goals need to be met to fully utilize solar energy for the global energy demand. First, the means for solar energy conversion, storage, and distribution should be environmentally benign, i.e. protecting ecosystems instead of steadily weakening them. The next important goal is to provide a stable, constant energy flux. Due to the daily and seasonal variability in renewable energy sources such as sunlight, energy harvested from the sun needs to be efficiently converted into chemical fuel that can be stored, transported, and used upon demand. The biggest challenge is whether or not these goals can be met in a costeffective way on the terawatt scale.2

http://pubs.acs.org/doi/pdf/10.1021/cr1002326

Solar Water Splitting Cells

Within the space of a few years, hybrid organic–inorganic perovskite solar cells have emerged as one of the most exciting material platforms in the photovoltaic sector. This review describes the rapid progress that has been made in this area.

The emergence of perovskite solar cells

The Compact Muon Solenoid (CMS) detector is described. The detector operates at the Large Hadron Collider (LHC) at CERN. It was conceived to study proton-proton (and lead-lead) collisions at a centre-of-mass energy of 14 TeV (5.5 TeV nucleon-nucleon) and at luminosities up to 10(34)cm(-2)s(-1) (10(27)cm(-2)s(-1)). At the core of the CMS detector sits a high-magnetic-field and large-bore superconducting solenoid surrounding an all-silicon pixel and strip tracker, a lead-tungstate scintillating-crystals electromagnetic calorimeter, and a brass-scintillator sampling hadron calorimeter. The iron yoke of the flux-return is instrumented with four stations of muon detectors covering most of the 4 pi solid angle. Forward sampling calorimeters extend the pseudo-rapidity coverage to high values (vertical bar eta vertical bar <= 5) assuring very good hermeticity. The overall dimensions of the CMS detector are a length of 21.6 m, a diameter of 14.6 m and a total weight of 12500 t.

/pdf/the-cms-experiment-at-the-cern-lhc-4d2umuzboo.pdf

The CMS experiment at the CERN LHC

Thin-layer silicon solar cells utilize surface textures to increase light absorption and back surface fields to prevent recombination at the silicon-substrate interface. We present an analytical model for the internal quantum efficiency that accounts for light trapping and also considers carrier generation and recombination in back surface fields or substrates. We introduce a graphical representation of experimental data, the so-called Parameter-Confidence-Plot, which allows one to draw maximum information on diffusion lengths and surface recombination velocities from quantum efficiency measurements. The analysis is exemplified for state of the art thin-layer silicon solar cells with and without back surface fields.

Quantum efficiency analysis of thin-layer silicon solar cells with back surface fields and optical confinement

We present measurements of the energy distribution of interface states at grain boundary areas in fine-grained silicon films. A dc method as well as ac-admittance spectroscopy reveals exponentially decaying band tails in the two-dimensional density of states within the band gap. The experimental results are in agreement with a model of potential fluctuations. This model explains the extrapolated band-edge values of the density of states as well as the ratio of the slopes of conduction- and valence-band tails.

Exponential band tails in polycrystalline semiconductor films.

Formation of transparent and ohmic ZnO:Al/MoSe2 contacts for bifacial Cu(In,Ga)Se2 solar cells and tandem structures

An elegant laser tailoring add-on process for silicon solar cells, leading to selectively doped emitters increases their efficiency h by Dh ¼0.5% absolute. Our patented, scanned laser doping add-on process locally increases the doping under the front side metallization, thus allowing for shallow doping and less Auger recombination between the contacts. The selective laser add-on process modifies the emitter profile from a shallow error-function type to Gaussian type and enables excellent contact formation by screen printing, normally difficult to achieve for shallow diffused emitters. The significantly deeper doping profile of the laser irradiated samples widens the process window for the firing of screen printed contacts and avoids metal spiking through the pn-junction. Copyright # 2010 John Wiley & Sons, Ltd.

https://onlinelibrary.wiley.com/doi/pdf/10.1002/pip.1007

Add‐on laser tailored selective emitter solar cells

This work investigates the influence of lateral fluctuations of the fundamental band gap on the macroscopic light absorptance and emission spectra of spatially inhomogeneous semiconductors. A model assuming a Gaussian distribution for the local band gaps yields closed-form expressions for the spectral absorptance and emission. Band gap fluctuations broaden the absorption edge of the fundamental band gap, as well as the associated emission peak. The spectral position of the photoluminescence emission peak depends on the length scale of the fluctuations in relation to the characteristic charge carrier transport length. We apply the model to experimental results from Cu(In1−x,Gax)Se2 thin films routinely used as photovoltaic absorbers in thin-film ZnO/CdS/Cu(In,Ga)Se2 heterojunction solar cells. The films feature band gap fluctuations with standard deviations between 15 and 65 meV which would lead to losses in the range of 5–80 mV for the open circuit voltage of solar cells made from these films. The pure ternary compounds CuInSe2 and CuGaSe2 exhibit smaller standard deviations than their quaternary alloys. This experimental finding indicates alloy disorder as one possible source of band gap inhomogeneities. The length scale of the observed fluctuations turns out to be much smaller than the minority carrier diffusion length. Hence, the band gap fluctuations occur on a length scale below 100 nm.

Jürgen H. Werner

Papers

Quantum efficiency analysis of thin-layer silicon solar cells with back surface fields and optical confinement

Exponential band tails in polycrystalline semiconductor films.

Formation of transparent and ohmic ZnO:Al/MoSe2 contacts for bifacial Cu(In,Ga)Se2 solar cells and tandem structures

Add‐on laser tailored selective emitter solar cells

Light absorption and emission in semiconductors with band gap fluctuations—A study on Cu(In,Ga)Se2 thin films