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

Hydrothermal Synthesis of Diamond

Recent discovery of graphite polyhedral crystals, having shapes of faceted needles, rods, rings, barrels, and double-tipped pyramids with 7-fold, 9-fold, or more complex morphological symmetry, suggests the possibility of growing complex crystal shapes on nanoscale and microscale. Appropriate crystal design may result in more diverse and better controlled morphologies grown “to size” from the material that best suits the application.

Designing Carbon Crystals for Nanotechnology Applications

1Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA 2Department of Materials Science and Engineering and A. J. Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA 3Department of Chemical and Environmental Engineering, University of California–Riverside, Riverside, California 92521, USA 4ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Campus, Didcot, Oxfordshire OX11 0QX, United Kingdom 5Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

Cation Molecular Structure Affects Mobility and Transport of Electrolytes in Porous Carbons

Instrumented indentation was combined with microscopy and spectroscopy analysis to investigate the local mechanically induced ferroelectric to anti-ferroelectric phase transformation of niobium-modified lead zirconate titanate 95/5 Indentation experiments to a depth of 2 μm were performed using a Berkovich pyramidal three-sided diamond tip Subsequent Raman spectroscopy and piezoelectric force microscopy revealed that indentation locally induced the ferroelectric to antiferroelectric phase transformation Piezoelectric force microscopy demonstrated the ability to map the individual phases within and near indented regions on the niobium-modified lead zirconate titanate ceramics

Yury Gogotsi

Papers

Hydrothermal Synthesis of Diamond

Designing Carbon Crystals for Nanotechnology Applications

Cation Molecular Structure Affects Mobility and Transport of Electrolytes in Porous Carbons

Detection of Indentation Induced FE‐to‐AFE Phase Transformation in Lead Zirconate Titanate

Aus Carbiden abgeleitete Kohlenstoffmonolithe mit hierarchischer Porenarchitektur