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

The effects of ultrasonic nanocrystal surface modification temperature on the mechanical properties and fretting wear resistance of Inconel 690 alloy

A review of fretting study on nuclear power equipment

Investigation on fretting wear behavior of 690 alloy in water under various temperatures

Effect of pH value on the fretting wear behavior of Inconel 690 alloy

http://www.ysxbcn.com/down/2014/02_en/09-p0360.pdf

Fretting wear behavior of Inconel 690 in hydrazine environments

Study on the fretting maps of Zircaloy-4 alloy against Inconel 718 alloy

The fretting wear behavior of the nuclear power material Incoloy 800 was investigated in this study. A PLINT high-temperature fretting tester was used on an Incoloy 800 cylinder against a 304SS cylinder at vertical cross contact under different temperatures (25, 300, and 400°C). During testing, a normal load of 80 N was applied, and the displacement amplitudes ranged from 2 to 40 µm. The fretting wear mechanism at high temperatures and the kinetic character of the materials of the Incoloy 800 steam generator tube were analyzed. Results showed that the fretting running regimes varied little with ncreasing temperature, and some microcracks were observed in both the mixed fretting regime (MFR) and the partial slip regime (PSR) at high temperatures. Slight abrasive wear and microcracks were the main wear mechanisms of the Incoloy 800 alloy in PSR, whereas those in the MFR and the gross slip regime were oxidative wear, abrasive wear, and delamination.

Experimental Study of the Fretting Wear Behavior of Incoloy 800 Alloy at High Temperature

http://www.ysxbcn.com/down/paperDown.aspx?id=32192

Fretting wear and friction oxidation behavior of 0Cr20Ni32AlTi alloy at high temperature

This study investigated the fretting wear behavior of the nuclear power material Inconel 690 alloy. An improved PLINT high-temperature fretting tester was used on an Inconel 690 tube against a 1Cr1...

Zhang Xiaoyu

Papers

Fretting wear behavior of Inconel 690 in hydrazine environments

Study on the fretting maps of Zircaloy-4 alloy against Inconel 718 alloy

Experimental Study of the Fretting Wear Behavior of Incoloy 800 Alloy at High Temperature

Fretting wear and friction oxidation behavior of 0Cr20Ni32AlTi alloy at high temperature

Experimental study of the fretting wear behavior of Inconel 690 alloy under alternating load conditions