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

In this critical review, metal oxides-based materials for electrochemical supercapacitor (ES) electrodes are reviewed in detail together with a brief review of carbon materials and conducting polymers. Their advantages, disadvantages, and performance in ES electrodes are discussed through extensive analysis of the literature, and new trends in material development are also reviewed. Two important future research directions are indicated and summarized, based on results published in the literature: the development of composite and nanostructured ES materials to overcome the major challenge posed by the low energy density of ES (476 references).

/pdf/a-review-of-electrode-materials-for-electrochemical-2cok5em0bo.pdf

A review of electrode materials for electrochemical supercapacitors

Recent years have seen a rapid growth of interest by the scientific and engineering communities in the thermal properties of materials. Heat removal has become a crucial issue for continuing progress in the electronic industry, and thermal conduction in low-dimensional structures has revealed truly intriguing features. Carbon allotropes and their derivatives occupy a unique place in terms of their ability to conduct heat. The room-temperature thermal conductivity of carbon materials span an extraordinary large range--of over five orders of magnitude--from the lowest in amorphous carbons to the highest in graphene and carbon nanotubes. Here, I review the thermal properties of carbon materials focusing on recent results for graphene, carbon nanotubes and nanostructured carbon materials with different degrees of disorder. Special attention is given to the unusual size dependence of heat conduction in two-dimensional crystals and, specifically, in graphene. I also describe the prospects of applications of graphene and carbon materials for thermal management of electronics.

Thermal properties of graphene and nanostructured carbon materials

Recent years witnessed a rapid growth of interest of scientific and engineering communities to thermal properties of materials. Carbon allotropes and derivatives occupy a unique place in terms of their ability to conduct heat. The room-temperature thermal conductivity of carbon materials span an extraordinary large range – of over five orders of magnitude – from the lowest in amorphous carbons to the highest in graphene and carbon nanotubes. I review thermal and thermoelectric properties of carbon materials focusing on recent results for graphene, carbon nanotubes and nanostructured carbon materials with different degrees of disorder. A special attention is given to the unusual size dependence of heat conduction in two-dimensional crystals and, specifically, in graphene. I also describe prospects of applications of graphene and carbon materials for thermal management of electronics.

Thermal Properties of Graphene, Carbon Nanotubes and Nanostructured Carbon Materials

Nanofluids, the fluid suspensions of nanomaterials, have shown many interesting properties, and the distinctive features offer unprecedented potential for many applications. This paper summarizes the recent progress on the study of nanofluids, such as the preparation methods, the evaluation methods for the stability of nanofluids, and the ways to enhance the stability for nanofluids, the stability mechanisms of nanofluids, and presents the broad range of current and future applications in various fields including energy and mechanical and biomedical fields. At last, the paper identifies the opportunities for future research.

/pdf/a-review-on-nanofluids-preparation-stability-mechanisms-and-427pko83jc.pdf

A review on nanofluids: preparation, stability mechanisms, and applications

Enhancing thermal conductivity of palmitic acid based phase change materials with carbon nanotubes as fillers

https://web.me.iastate.edu/wang/2011_PLA.pdf

Significant thermal conductivity enhancement for nanofluids containing graphene nanosheets

Stable ethylene-glycol-based nanofluids containing graphene oxide nanosheets have been prepared. The measurements of thermal conductivity indicate that the nanofluids have substantially higher thermal conductivities than the base fluid. The thermal conductivity enhancement depends strongly on the volume fraction of graphene oxide nanosheets and increases with the increasing loading. When the nanosheet loading is 5.0 vol%, the enhancement ratio is up to 61.0%. The thermal conductivity of the fluids remains almost constant for seven days, indicating their high stability. The level of enhancement is independent of temperature in the measured temperature range.

https://iopscience.iop.org/article/10.1088/0957-4484/21/5/055705/pdf

Enhanced thermal conductivities of nanofluids containing graphene oxide nanosheets.

Increasing interests have been paid to nanofluids because of the intriguing heat transfer enhancement performances presented by this kind of promising heat transfer media. We produced a series of nanofluids and measured their thermal conductivities. In this article, we discussed the measurements and the enhancements of the thermal conductivity of a variety of nanofluids. The base fluids used included those that are most employed heat transfer fluids, such as deionized water (DW), ethylene glycol (EG), glycerol, silicone oil, and the binary mixture of DW and EG. Various nanoparticles (NPs) involving Al2O3 NPs with different sizes, SiC NPs with different shapes, MgO NPs, ZnO NPs, SiO2 NPs, Fe3O4 NPs, TiO2 NPs, diamond NPs, and carbon nanotubes with different pretreatments were used as additives. Our findings demonstrated that the thermal conductivity enhancements of nanofluids could be influenced by multi-faceted factors including the volume fraction of the dispersed NPs, the tested temperature, the thermal conductivity of the base fluid, the size of the dispersed NPs, the pretreatment process, and the additives of the fluids. The thermal transport mechanisms in nanofluids were further discussed, and the promising approaches for optimizing the thermal conductivity of nanofluids have been proposed.

/pdf/discussion-on-the-thermal-conductivity-enhancement-of-4o61rs3pav.pdf

Huaqing Xie

Papers

A review on nanofluids: preparation, stability mechanisms, and applications

Enhancing thermal conductivity of palmitic acid based phase change materials with carbon nanotubes as fillers

Significant thermal conductivity enhancement for nanofluids containing graphene nanosheets

Enhanced thermal conductivities of nanofluids containing graphene oxide nanosheets.

Discussion on the thermal conductivity enhancement of nanofluids