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

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

“Unpaired Image-to-Image Translation using Cycle-Consistent Adversarial Networks”の学習報告

Since the discovery of mechanically exfoliated graphene in 2004, research on ultrathin two-dimensional (2D) nanomaterials has grown exponentially in the fields of condensed matter physics, material science, chemistry, and nanotechnology. Highlighting their compelling physical, chemical, electronic, and optical properties, as well as their various potential applications, in this Review, we summarize the state-of-art progress on the ultrathin 2D nanomaterials with a particular emphasis on their recent advances. First, we introduce the unique advances on ultrathin 2D nanomaterials, followed by the description of their composition and crystal structures. The assortments of their synthetic methods are then summarized, including insights on their advantages and limitations, alongside some recommendations on suitable characterization techniques. We also discuss in detail the utilization of these ultrathin 2D nanomaterials for wide ranges of potential applications among the electronics/optoelectronics, electrocat...

Recent Advances in Ultrathin Two-Dimensional Nanomaterials

BiFeO3 is perhaps the only material that is both magnetic and a strong ferroelectric at room temperature. As a result, it has had an impact on the field of multiferroics that is comparable to that of yttrium barium copper oxide (YBCO) on superconductors, with hundreds of publications devoted to it in the past few years. In this Review, we try to summarize both the basic physics and unresolved aspects of BiFeO3 (which are still being discovered with several new phase transitions reported in the past few months) and device applications, which center on spintronics and memory devices that can be addressed both electrically and magnetically.

Physics and Applications of Bismuth Ferrite

Silicon nitride-based electrodes (SiNx), have been proposed as promising candidates for high-capacity transparent anode electrodes in earlier studies. Unfortunately, they have low electrical conductivity, resulting in some disadvantages such as power density for application in thin film batteries. To improve electrical conductivity, bulk batteries use conductive carbon additives, which also impair transmittance. Thus, we conducted this research to enhance the electrochemical properties by improving the conductivity without compromising the transmittance by uniformly dispersed Ag nanoparticles in SiNx thin film. We obtained an Ag-SiNx composite thin-film anode via continuous composition spread sputtering and investigated the effect of the Ag concentration. The capacity of the thin-film battery raised to 242.8 μAh/cm2·μm with Ag0.236SiO0.7N anode compared to the SiO0.7N anode which had a capacity of 37.2 μAh/cm2·μm. In addition, while SiO0.7N was operated only up to 2 C, Ag0.236SiO0.7N has driven up to 5 C and 10 C, which are high C rates, was also possible. AgxSiO0.7N thin film with less than 0.236 mol content demonstrates an optical transmittance of over 60% in the visible area. These results indicate that improving the electrical conductivity by the addition of an Ag during the silicon nitride deposition can increase its electrochemical performance while maintaining its applicability to transparent batteries. 

Highly conductive Ag-SiNx composite thin film anode engineering for transparent battery

Abstract Biodegradable metals have received limited attention for application in transdermal drug delivery, although metallic microneedles (MNs) and iontophoresis have been thoroughly researched for this purpose. Here, we present Mg as a salient candidate for an MN electrode. Its metallic properties enable the application of voltage to enhance the diffusion of charged drug molecules, while hydrogen gas generated during Mg corrosion prevents its application to electrodes. The Mg MN electrode was fabricated using a nanosecond laser, and the amount of hydrogen gas were measured with applied potential during iontophoresis. Accordingly, an appropriate potential window for iontophoresis was established based on the combined effect of enhanced drug diffusion by applied electric potential and impediment from hydrogen generation. The dye permeation tests of the Mg MN on the porcine skin demonstrated the combined effect of the Mg MN and iontophoresis. The dye migration decreased at higher voltages due to excess hydrogen generation and the corrosion of needle tips, both making the diffusion of charged dye molecules along the Mg MN surface harder. These results demonstrate optimal potential range of Mg MN electrodes for transdermal drug delivery with an electric field and bubble generation during iontophoresis. Graphical Abstract 

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Biodegradable Mg Electrodes for Iontophoretic Transdermal Drug Delivery

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Correction: Selective Area Epitaxy of Complex Oxide Heterostructures on Si by Oxide Hard Mask Lift-Off

Focused Ion Beam and Transmission Electron Microscopic Characterizations of Dalan and Kangan Reservoirs

Oxides possess several interesting properties, such as ferroelectricity, magnetism, superconductivity, and multiferroic behavior, which can effectively be used oxide electronics based on epitaxially grown heterostructures. The microscopic properties of oxide interfaces may have a strong impact on the electrical transport properties of these heterostructures. It was recently demonstrated that high electrical conductivity and mobility can be achieved in the system of an ultrathin film deposited on a -terminated substrate, which was a remarkable result because the conducting layer was at the interface between two insulators. In this study, we observe that the current-voltage characteristics exhibit thickness dependence of electrical conductivity in -terminated . We find that the layers with a thickness of up 3 unit cells, result in highly insulating interfaces, whereas those with thickness of 4 unit cells and above result in conducting interfaces.

Ho Won Jang

Papers

Highly conductive Ag-SiNx composite thin film anode engineering for transparent battery

Biodegradable Mg Electrodes for Iontophoretic Transdermal Drug Delivery

Correction: Selective Area Epitaxy of Complex Oxide Heterostructures on Si by Oxide Hard Mask Lift-Off

Focused Ion Beam and Transmission Electron Microscopic Characterizations of Dalan and Kangan Reservoirs

Dependence of LaAlO 3 /SrTiO 3 Interfacial Conductivity on the Thickness of LaAlO 3 Layer Investigated by Current-voltage Characteristics