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

2.3. Evaluation of Photocatalytic Water Splitting 6507 2.3.1. Photocatalytic Activity 6507 2.3.2. Photocatalytic Stability 6507 3. UV-Active Photocatalysts for Water Splitting 6507 3.1. d0 Metal Oxide Photocatalyts 6507 3.1.1. Ti-, Zr-Based Oxides 6507 3.1.2. Nb-, Ta-Based Oxides 6514 3.1.3. W-, Mo-Based Oxides 6517 3.1.4. Other d0 Metal Oxides 6518 3.2. d10 Metal Oxide Photocatalyts 6518 3.3. f0 Metal Oxide Photocatalysts 6518 3.4. Nonoxide Photocatalysts 6518 4. Approaches to Modifying the Electronic Band Structure for Visible-Light Harvesting 6519

Semiconductor-based Photocatalytic Hydrogen Generation

Redox‐Based Resistive Switching Memories – Nanoionic Mechanisms, Prospects, and Challenges

Polarity discontinuities at the interfaces between different crystalline materials (heterointerfaces) can lead to nontrivial local atomic and electronic structure, owing to the presence of dangling bonds and incomplete atomic coordinations. These discontinuities often arise in naturally layered oxide structures, such as the superconducting copper oxides and ferroelectric titanates, as well as in artificial thin film oxide heterostructures such as manganite tunnel junctions. If polarity discontinuities can be atomically controlled, unusual charge states that are inaccessible in bulk materials could be realized. Here we have examined a model interface between two insulating perovskite oxides--LaAlO3 and SrTiO3--in which we control the termination layer at the interface on an atomic scale. In the simple ionic limit, this interface presents an extra half electron or hole per two-dimensional unit cell, depending on the structure of the interface. The hole-doped interface is found to be insulating, whereas the electron-doped interface is conducting, with extremely high carrier mobility exceeding 10,000 cm2 V(-1) s(-1). At low temperature, dramatic magnetoresistance oscillations periodic with the inverse magnetic field are observed, indicating quantum transport. These results present a broad opportunity to tailor low-dimensional charge states by atomically engineered oxide heteroepitaxy.

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface

Trust: The Social Virtues and the Creation of Prosperity

Long Segment Pedicle Instrumentation and Anterior Interbody Fusion for Thoraclumbar Burst Fractures

In this study, a survey was conducted to investigate the current status of biosafety awareness by each region, targeting domestic biology researchers. A total of 4 surveys were conducted from September 24 to October 2, 2013 in Kangwon province, Seoul Metropolitan area, Chungchong Province, and Gyeongsang Province, and 189 respondents participated in the survey. Of the survey respondents, 135 (71.4%) answered that \"It is likely for an infection to happen in the laboratory\" and 23 (12.2%) answered \"highly likely\". However, as to the Risk Group and Biosafety Facility Level, only 24 (12.7%) and 25 (13.2%) of the respondents, respectively, responded \"know them very well\". These results indicate that researchers are aware of the need for the concept of biosafety in laboratories, but they lack systematic education and publicity. Therefore, it will be necessary to develop a system that can systematically educate the regulations and compliance of biosafety.

Survey on the Status of Biosafety Awareness Among Domestic Biology Researchers

A Statistical Review of Benign Tumors of the Skin for the Past 10 Years.

Abstract This study aimed to investigate the effect of ethanolic extracts from perilla leaves (PLE) on the quality attributes and polycyclic aromatic hydrocarbons (PAHs) in charcoal-barbecued pork patties. The PLE addition and doneness had no significant effect on the pH of pork patties (p>0.05). Regardless of the concentration, the PLE significantly lower malondialdehyde concentrations and reduced the CIE L*, CIE a*, and CIE b* when compared to control. The addition of 0.2% of PLE did not adversely affect the organoleptic properties of doneness of medium and well-done pork patties. Addition of PLE at 0.4% to medium-cooked pork patties had stronger suppressing effect on the formation of light PAHs compare to control (p<0.05), also adding it to well-done pork patties had the lowest concentration of 4 PAHs and 8 PAHs, and a total of 16 PAHs (p<0.05). Therefore, PLE at 0.4% can be used for suppressing the formation of PAHs and lipid oxidation in well-cooked pork patty.

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Effect of Extract of Perilla Leaves on the Quality Characteristics and Polycyclic Aromatic Hydrocarbons of Charcoal Barbecued Pork Patty

PROBLEM TO BE SOLVED: To provide an electron beam lithography apparatus using a patterned emitter. SOLUTION: A pyroelectric emitter performs electron emission using a patterned metal thin film as a mask. When the emitter is heated, electrons are not emitted from portions of the emitter covered by a metal thin layer, while the electrons are emitted from portions covered by a dielectric film, thereby an emitter pattern is projected on a substrate. To prevent the diffusion of the emitted electron beam, the electron beam is controlled by a magnet, direct magnetic field generator, or deflection device. COPYRIGHT: (C)2004,JPO

Dong-Wook Kim

Papers

Long Segment Pedicle Instrumentation and Anterior Interbody Fusion for Thoraclumbar Burst Fractures

Survey on the Status of Biosafety Awareness Among Domestic Biology Researchers

A Statistical Review of Benign Tumors of the Skin for the Past 10 Years.

Effect of Extract of Perilla Leaves on the Quality Characteristics and Polycyclic Aromatic Hydrocarbons of Charcoal Barbecued Pork Patty

Electron beam lithography apparatus