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

https://www.chem.ccu.edu.tw/~joyce/referance/gump/IL/Chem.%20Rev.%201999,%2099,%202071.pdf

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

/pdf/dye-sensitized-solar-cells-50b0w2bhsr.pdf

Dye-Sensitized Solar Cells

The synergic solvent extraction system of tri-n-butyl phosphate (TBP) and FeCl3 (or ionic liquids, ILs) has been extensively studied for selective extraction of Li from Mg-containing brines. However, Cyanex 923 (C923), which extracts many metals stronger than TBP, has not yet been examined for Li/Mg separation. Here, we report on the unexpected observation that the C923/FeCl3 system has opposite Li/Mg selectivity compared to the TBP/FeCl3 system. Detailed investigations show that the opposite selectivity of the C923/FeCl3 (or IL) system is due to three factors: (1) the strong extraction of Fe by C923 leads to a low concentration of [FeCl4]- in the system, which is essential for Li extraction; (2) C923 in combination with an IL extracts Mg strongly by an ion-pair mechanism; (3) most importantly, C923 extracts Mg by solvation, resulting in an insufficient concentration of C923 for Li extraction. The unexpected poor Li/Mg selectivity of C923 highlights the irreplaceable role of TBP in the selective recovery of Li.

https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.17219

Opposite selectivities of tri-n-butyl phosphate and Cyanex 923 in solvent extraction of lithium and magnesium.

Long-lived europium-154 impurities are formed during the production of medical samarium-153 in a high-flux nuclear reactor. A method to separate these europium impurities from samarium was investigated using the hydrophobic quaternary ammonium ionic liquid Aliquat 336 nitrate. The separation method consists of the selective reduction of Eu3+ by zinc metal in an aqueous feed solution containing a high nitrate salt concentration. Subsequent extraction using undiluted Aliquat 336 nitrate leads to an efficient separation of both lanthanides in a relatively short time frame. Sm3+ was extracted to the neat ionic liquid phase much more efficiently than Eu2+. An initial approach using the addition of dicyclohexano-18-crown-6 to capture Eu2+ in the ionic liquid phase was less efficient.

/pdf/separation-of-samarium-and-europium-by-solvent-extraction-58vzz3fjmy.pdf

Separation of samarium and europium by solvent extraction with an undiluted quaternary ammonium ionic liquid: towards high-purity medical samarium-153

γ-Valerolactone-based organic electrolyte solutions: a benign approach to polyaramid dissolution and processing

Development of a solvometallurgical process for the separation of yttrium and europium by Cyanex 923 from ethylene glycol solutions

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Opposite selectivities of tri-n-butyl phosphate and Cyanex 923 in solvent extraction of lithium and magnesium.

Separation of samarium and europium by solvent extraction with an undiluted quaternary ammonium ionic liquid: towards high-purity medical samarium-153

γ-Valerolactone-based organic electrolyte solutions: a benign approach to polyaramid dissolution and processing

Development of a solvometallurgical process for the separation of yttrium and europium by Cyanex 923 from ethylene glycol solutions