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

Solar energy systems (SESs) are considered as one of the most important alternatives to conventional fossil fuels, due to its ability to convert solar energy directly into heat and electricity without any negative environmental impact such as greenhouse gas emissions. Utilizing nanofluid as a potential heat transfer fluid with superior thermophysical properties is an effective method to enhance the thermal performance of solar energy systems. The purpose of this review paper is the investigation of the recent advances in the nanofluids’ applications in solar energy systems, i.e., solar collectors (SCs), photovoltaic/thermal (PV/T) systems, solar thermoelectric devices, solar water heaters, solar-geothermal combined cooling heating and power system (CCHP), evaporative cooling for greenhouses, and water desalination.

Applications of nanofluids in solar energy: A review of recent advances

Recent advancements in PV cooling and efficiency enhancement integrating phase change materials based systems – A comprehensive review

Evaluation of the nanofluid and nano-PCM based photovoltaic thermal (PVT) system: An experimental study

Review on heat conduction, heat convection, thermal radiation and phase change heat transfer of nanofluids in porous media: Fundamentals and applications

Experimental investigation of a concentrating PV/T collector with Cu9S5 nanofluid spectral splitting filter

Investigation on a spectral splitting photovoltaic/thermal hybrid system based on polypyrrole nanofluid: Preliminary test

When the distance between two silver nanoparticles is small enough, interparticle surface plasmon coupling has a great impact on their radiative properties. It is becoming a promising technique to use in the sensing and imaging. A model based on finite difference time domain method is developed to investigate the effect of the assembled parameters on the radiative properties and the field-enhancement effect of silver nanorod dimer. The numerical results indicate that the radiative properties of silver nanorod dimer are very sensitive to the assembled angle and the polarization orientation of incident wave. There is great difference on the intensity and location of field-enhancement effect for the cases of different assembled angle and polarization. The most intensive field-enhancement effect occurs in the middle of two nanorods when two nanorods is assembled head to head and the polarization orientation parallels to the length axis of nanorods. Moreover, compared with the single nanorod, the wavelength of extinction peak of dimer has a red-shift, and the intensity of field-enhancement effect on the dimer is more intensive than that of single particle. With the increasing of particle length, extinction cross-section of silver nanorod dimer rises, while extinction efficiency and scattering efficiency firstly increase then drop down gradually. In addition, the extinction peaks of silver nanorod dimer on the substrate are smaller than that without the substrate, and their extinction peaks has a red-shift compared with that without the substrate.

Wei An

Papers

Experimental investigation of a concentrating PV/T collector with Cu9S5 nanofluid spectral splitting filter

Investigation on a spectral splitting photovoltaic/thermal hybrid system based on polypyrrole nanofluid: Preliminary test

Numerical investigation of radiative properties and surface plasmon resonance of silver nanorod dimers on a substrate

Radiative properties of gold nanorod solutions and its temperature distribution under laser irradiation: Experimental investigation

Light-induced latent heat reduction of silver nanofluids: A molecular dynamics simulation