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

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

Electrochemical capacitors, also called supercapacitors, store energy using either ion adsorption (electrochemical double layer capacitors) or fast surface redox reactions (pseudo-capacitors). They can complement or replace batteries in electrical energy storage and harvesting applications, when high power delivery or uptake is needed. A notable improvement in performance has been achieved through recent advances in understanding charge storage mechanisms and the development of advanced nanostructured materials. The discovery that ion desolvation occurs in pores smaller than the solvated ions has led to higher capacitance for electrochemical double layer capacitors using carbon electrodes with subnanometre pores, and opened the door to designing high-energy density devices using a variety of electrolytes. Combination of pseudo-capacitive nanomaterials, including oxides, nitrides and polymers, with the latest generation of nanostructured lithium electrodes has brought the energy density of electrochemical capacitors closer to that of batteries. The use of carbon nanotubes has further advanced micro-electrochemical capacitors, enabling flexible and adaptable devices to be made. Mathematical modelling and simulation will be the key to success in designing tomorrow's high-energy and high-power devices.

https://hal.archives-ouvertes.fr/hal-02417326/document

Materials for electrochemical capacitors

The handling, dispersion, manipulation, and functionalization of carbon nanotubes and nanopipes often require the use of solvents. Therefore, a good understanding of the wetting properties of the carbon nanotubes is needed. Such knowledge is also essential for the design of nanotube-based nanofluidic devices, which hold the promise of revolutionizing chemical analysis, separation, drug delivery, filtration, and sensing. In this work, we investigated the wetting behavior of individual nanopipes produced by the chemical vapor deposition (CVD) of carbon in porous alumina templates and of thin carbon films produced by the same technique. The carbon pipes and films have the same chemistry and structure as determined by Raman and infrared spectroscopies and, when similarly treated, demonstrate the same qualitative wetting behavior, as determined by optical microscopy. Thus, measurements conducted on the carbon film surface are relevant to the nanopipes. In the case of the nanopipes, filling with various liquids...

http://www.pages.drexel.edu/~dm3332/0535.pdf

Wetting of CVD carbon films by polar and nonpolar liquids and implications for carbon nanopipes.

The currently used primary explosives, such as lead azide and lead styphnate, present serious health hazards due to the toxicity of lead. There is a need to replace them with equally energetic but safer-to-handle and more environmentally friendly materials. Copper azide is more environmentally acceptable, but very sensitive and detonates easily from electrostatic charges during handling. If the highly sensitive copper azide is encapsulated within conducting containers, such as anodic aluminum oxide (AAO)-templated carbon nanotubes (CNTs), its sensitivity can be tamed. This work describes a technique for confining energetic copper azide within CNTs. ~5 nm colloidal copper oxide nanoparticles are synthesized and filled into the 200 nm diameter CNTs, produced by template synthesis. The Cu-O inside the CNTs is reduced in hydrogen to copper, and reacted with hydrazoic acid gas to produce copper azide. Upon initiation, the 60 μm long straight, open-ended CNTs guide decomposition gases along the tube channel without fracturing the nanotube walls. These novel materials have potential for applications as nano-detonators and green primary explosives; they also offer new opportunities for understanding the physics of detonation at the nanoscale.

Copper Azide Confined Inside Templated Carbon Nanotubes

3D knitted energy storage textiles using MXene-coated yarns

Enhanced volumetric hydrogen and methane storage capacity of monolithic carbide-derived carbon

/pdf/nanoscale-corona-discharge-in-liquids-enabling-nanosecond-50zih6xw9b.pdf

Yury Gogotsi

Papers

Wetting of CVD carbon films by polar and nonpolar liquids and implications for carbon nanopipes.

Copper Azide Confined Inside Templated Carbon Nanotubes

3D knitted energy storage textiles using MXene-coated yarns

Enhanced volumetric hydrogen and methane storage capacity of monolithic carbide-derived carbon

Nanoscale Corona Discharge in Liquids, Enabling Nanosecond Optical Emission Spectroscopy