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

The effect of CaO substitutions (between 1 and 10% (CaO) 2 /Li 2 O) on the transport and physical properties of two fast ion conducting lithium borate glass systems (37.3 mol % Li20, 62.7 mol % Li 2 O 3 and 50 mol % Li 2 O, 50 mol % Li 2 O, 50 mol % B 2 O 3 ) are investigated. Measurements of electrical conductivity, density and glass transition temperature are reported. The influence of strain effects on carrier mobility is examined. Measurements of electrical conductivity and molar volume are extended to a K 2 O·2B 2 O 3 glass and compared with existing data for corresponding lithium and sodium diborate glasses.

Structure-Transport Relationships in Fast Ion Conducting Alkali Borate Glasses

Progress in achieving improved performance in the generation and utilization of hydrogen depends on our ability to identify materials with optimized electrical and (photo)- electrochemical performance. Given their high volume fraction of interfaces, high chemical stability and versatility (ionic, electronic, optical property control), nanocrystalline electroceramic materials are of growing interest for advanced energy conversion and storage technologies. As grain size decreases towards the Debye length and grain boundaries come in closer proximity, space charge properties begin to dominate, resulting in modified charge transport. Through systematic variation of grain boundary properties by heterogeneous indiffusion of cations, the electronic and ionic carrier profiles in the space charge region may be altered. The relationships between space charge potential and defect profiles in the space charge regions are quantitatively analyzed, and implications for nano-ionic materials in thin film solid oxide fuel cells are discussed. From the standpoint of photoelectrochemical water splitting for hydrogen generation, optimizing the band gap, band alignments, and transport properties while retaining stability has remained a challenging objective. Novel nanocrystalline composite structures are discussed which exhibit features amenable to optimization of required properties and electrical measurements to determine key transport properties of titanium dioxide nanopowder, a photoanode material are introduced.

Nano‐Structured Materials for Next Generation Fuel Cells and Photoelectrochemical Devices

This invention provides an electromechanical device comprising an active material comprising a metal oxide such as Ce0.8Gd0.2O1.9 wherein the elastic modulus of metal oxide can be modulated by applying external electric field. The Ce0.8Gd0.2O1.9 layer in a substrate\electrode\Ce0.8Gd0.2O1.9\electrode structure or conductive substrate\Ce0.8Gd0.2O1.9\electrode structure develops a stress upon applying an electric field. This invention provides methods for tailoring the elastic modulus of materials using an electric field for the generation of an electromechanical response.

Electromechanical effect in cerium based oxides

Reconfigurable, active optical components can flexibly manipulate light. One example of these components is an electro-chemo-optical device that utilizes a metal oxide film with a complex refractive index that varies as a function of an oxygen vacancy concentration. The optical device may include a metal oxide film, a first electrode, and a second electrode. The first electrode and the second electrode may be used to supply a bias voltage to induce a change in the oxygen vacancy concentration in order to change the optical properties (absorbance, transmittance, and/or reflectance) of the optical device. The magnitude and spatial distribution of the oxygen vacancy concentration may be altered to affect the optical properties of the optical device. In some designs, the optical device may also include an ionic conductor and oxygen source to supply/receive oxygen ions to/from the metal oxide film.

Harry L. Tuller

Papers

Structure-Transport Relationships in Fast Ion Conducting Alkali Borate Glasses

Nano‐Structured Materials for Next Generation Fuel Cells and Photoelectrochemical Devices

Electromechanical effect in cerium based oxides

Reprogrammable electro-chemo-optical devices and methods for using the same

Nanosession: New Technologies for Scanning Probes