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

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Single-layer metal dichalcogenides are two-dimensional semiconductors that present strong potential for electronic and sensing applications complementary to that of graphene.

/pdf/electronics-and-optoelectronics-of-two-dimensional-2jbqr1unvw.pdf

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

Alginic acid is a polysaccharide obtained from brown algae, and its oligosaccharide has various functions such as antiviral, antitumor, immunoregulation, and antioxidant. However, because of its high viscosity, numerous studies have degraded the alginic acid by enzymes to improve its utilisation. In the present work, we characterised Sargassum fulvellum enzymatic extract (SFEE) using polysaccharide-degrading enzyme obtained from Shewanella oneidensis PKA 1008, and investigated its anti-inflammatory potential. S. fulvellum powder and crude enzyme were mixed at a ratio of 1:1 (v/v), and reacted at 30°C for 0 - 48 h to obtain the optimum degrading time. The changes in pH, colour, reducing sugar, and viscosity of SFEE were determined. The anti-inflammatory activity of SFEE was confirmed by measuring the expression level of nitric oxide (NO) and pro-inflammatory cytokines (IL-6, TNF-α, and L-1β) in RAW 264.7 macrophage cell line. The reducing sugar content was found to increase 2.75-fold at 24 h as compared to that at the initial reaction point, but pH and viscosity decreased significantly with increasing reaction time. SFEE showed a high inhibitory effect on the levels of NO and pro-inflammatory cytokines. SFEE thus has great potential for development as a functional food and therapeutic material owing to its anti-inflammatory effect.

/pdf/characteristics-and-anti-inflammatory-effects-of-the-3ueb22du.pdf

Characteristics and anti-inflammatory effects of the enzymatically extracted polysaccharides of Sargassum fulvellum using crude enzyme from Shewanella oneidensis PKA 1008

Transparent and Foldable Electronics Enabled by Si Nanomembranes

Monolithic Integration of Full-Color Micro-LED Display Using MoS2 TFTs

In situ transmission electron microscopy (TEM) is an ideal technique for unveiling growth process at the nanoscale. It is especially useful to study the growth process of thin film or two-dimensional materials [1]. Among of them, many researchers are interested in a study of heteroepitaxy for 3C-SiC. However, the lattice mismatch between the 3C-SiC and Si substrate (aSiC = 0.436 nm and aSi = 0.543 nm, ~19%) makes controlling the large area production and high quality difficult. The mismatches in the lattice parameters are the issues for the heteroepitaxial growth. Several growth model and analysis methods have been proposed to overcome these issues [2].

In Situ Transmission Electron Microscopy Observation of 3C-SiC Heteroepitaxial Growth on Si Nanomembrane

ZnO-based thin-film transistors (TFTs) have been fabricated and the mechanical characteristics of electric circuits, such as stress, strain, and deformation are analyzed by the finite element method (FEM). In this study, a mechanical-stability design guide for such systems is proposed; this design takes into account the stress and deformation of the bridge to estimate the stress distribution in an film with 0 to 5% stretched on 0.5--thick. The predicted buckle amplitude of bridges agrees well with experimental results within 0.5% error. The stress and strain at the contact point between bridges and a pad were measured in a previous structural analysis. These structural analysis suggest that the numerical measurement of deformation, SU-8 coating thickness for Neutral Mechanical Plane (NMP) and ITO electrode size on a dielectric layer was useful in enhancing the structural and electrical stabilities.

Jong Hyun Ahn

Papers

Characteristics and anti-inflammatory effects of the enzymatically extracted polysaccharides of Sargassum fulvellum using crude enzyme from Shewanella oneidensis PKA 1008

Transparent and Foldable Electronics Enabled by Si Nanomembranes

Monolithic Integration of Full-Color Micro-LED Display Using MoS2 TFTs

In Situ Transmission Electron Microscopy Observation of 3C-SiC Heteroepitaxial Growth on Si Nanomembrane

Study on Design of ZnO-Based Thin-Film Transistors With Optimal Mechanical Stability