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

We describe a new approach to the purification of single-walled carbon nanotubes (SWCNTs), based on the selective oxidation of carbonaceous impurities by heating at a constantly increasing temperature (i.e. dynamic oxidation) in air. Using UV-VIS-NIR spectroscopy, Raman spectroscopy and transmission electron microscopy (TEM) we demonstrate the superior purity of dynamically oxidized SWCNTs. In addition to being faster than other methods, dynamic oxidation allows for an efficient removal of carbonaceous impurities without significant loss of nanotubes. It is hypothesized that the advantages of dynamic oxidation arise from the exposure of the raw material to a wider range of temperatures than in conventional isothermal oxidation.

Purification of carbon nanotubes by dynamic oxidation in air

Sampling ultrasmall volumes of liquids for analysis is essential in a number of fields from cell biology to microfluidics to nanotechnology and electrochemical energy storage. In this article, we demonstrate the possibility of using nanometer-sized quartz pipettes with a layer of carbon deposited on the inner wall for sampling attoliter-to-picoliter volumes of fluids and determining redox species by voltammetry and coulometry. Very fast mass-transport inside the carbon-coated nanocavity allows for rapid exhaustive electrolysis of the sampled material. By using a carbon pipette as the tip in the scanning electrochemical microscope (SECM), it can be precisely positioned at the sampling location. The developed device is potentially useful for solution sampling from biological cells, micropores, and other microscopic objects.

Carbon pipette-based electrochemical nanosampler.

Etching Mechanism of Monoatomic Aluminum Layers during MXene Synthesis

Carbon Nanomaterials, Second Edition

A simple technique to simultaneously induce fluid flow through an individual nanopipe and measure the flow rate and the pressure difference across the pipe is described. Two liquid drops of different sizes are positioned at the two ends of the nanopipe. Due to the higher capillary pressure of the smaller drop, flow is driven from the smaller drop to the bigger drop. The instantaneous pressures of the two drops are estimated from the drops’ shapes and sizes. The flow rate is estimated by monitoring the sizes of the drops as functions of time with a microscope and a video camera. A theory that correlates the drops’ sizes and the flow rate is derived. Measurements are carried out with an ionic salt and glycerin to estimate the effective tube radius of the nanopipes with diameters ranging from 200 to 300nm. The tubes’ diameters are independently measured with a scanning electron microscope. The method is also verified by tracking the motion of fluorescent particles through the nanopipe. The paper provides a s...

/pdf/induction-and-measurement-of-minute-flow-rates-through-5rtywwpeul.pdf

Yury Gogotsi

Papers

Purification of carbon nanotubes by dynamic oxidation in air

Carbon pipette-based electrochemical nanosampler.

Etching Mechanism of Monoatomic Aluminum Layers during MXene Synthesis

Carbon Nanomaterials, Second Edition

Induction and measurement of minute flow rates through nanopipes