There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

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

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

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

New materials hold the key to fundamental advances in energy conversion and storage, both of which are vital in order to meet the challenge of global warming and the finite nature of fossil fuels. Nanomaterials in particular offer unique properties or combinations of properties as electrodes and electrolytes in a range of energy devices. This review describes some recent developments in the discovery of nanoelectrolytes and nanoelectrodes for lithium batteries, fuel cells and supercapacitors. The advantages and disadvantages of the nanoscale in materials design for such devices are highlighted.

https://img62.chem17.com/1/20140715/635410323829886334962.pdf

Nanostructured materials for advanced energy conversion and storage devices

A thin film transistor (TFT) includes a source electrode, a drain electrode, and a gate electrode. A gate insulator is coupled to the source electrode, drain electrode, and gate electrode. The gate insulator includes room temperature deposited high-K materials so as to allow said thin film transistor to operate at low operating voltage.

Low voltage flexible organic/transparent transistor for selective gas sensing, photodetecting and CMOS device applications

Ionic conduction in nanocrystalline materials

Nanostructured semiconducting metal oxides and particularly single nanowire devices offer exceptional gas sensitivity but at the expense of statistical variations and excessive noise levels. In this study TiO2/poly(vinyl acetate) composite nanofiber mats were directly electrospun onto interdigitated Pt electrode arrays, hot pressed at 120 degrees C, and calcined at 450 degrees C. This resulted in a novel multiple nanowire network composed of sheaths of 200-500 nm diameter cores filled with readily gas accessible approximately 10 nm thick single-crystal anatase fibrils. TiO2 nanofiber sensors tested for NO2, in dry air, exhibited exceptional sensitivity showing with, for example, a 833% increase in sensor resistance when exposed to 500 ppb NO2 at 300 degrees C, consistent with a detection limit estimated to be well below 1 ppb. Unusual response patterns were observed at high NO2 concentrations (> 12.5 ppm), consistent with n to p inversion of the surface-trap limited conduction facilitated by the high surface-to-volume ratio of this material.

Ultrasensitive chemiresistors based on electrospun TiO2 nanofibers.

Small polaron electron transport in reduced CeO2 single crystals

In metal/oxide heterostructures, rich chemical, electronic, magnetic and mechanical properties can emerge from interfacial chemistry and structure. The possibility to dynamically control interface characteristics with an electric field paves the way towards voltage control of these properties in solid-state devices. Here, we show that electrical switching of the interfacial oxidation state allows for voltage control of magnetic properties to an extent never before achieved through conventional magneto-electric coupling mechanisms. We directly observe in situ voltage-driven O(2-) migration in a Co/metal-oxide bilayer, which we use to toggle the interfacial magnetic anisotropy energy by >0.75 erg cm(-2) at just 2 V. We exploit the thermally activated nature of ion migration to markedly increase the switching efficiency and to demonstrate reversible patterning of magnetic properties through local activation of ionic migration. These results suggest a path towards voltage-programmable materials based on solid-state switching of interface oxygen chemistry.

https://beach.mit.edu/wp-content/uploads/2014/11/nmat4134.pdf

Harry L. Tuller

Papers

Low voltage flexible organic/transparent transistor for selective gas sensing, photodetecting and CMOS device applications

Ionic conduction in nanocrystalline materials

Ultrasensitive chemiresistors based on electrospun TiO2 nanofibers.

Small polaron electron transport in reduced CeO2 single crystals

Magneto-ionic control of interfacial magnetism