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

This article presents an overview of the developments in stainless steels made since the 1990s. Some of the new applications that involve the use of stainless steel are also introduced. A brief introduction to the various classes of stainless steels, their precipitate phases and the status quo of their production around the globe is given first. The advances in a variety of subject areas that have been made recently will then be presented. These recent advances include (1) new findings on the various precipitate phases (the new J phase, new orientation relationships, new phase diagram for the Fe–Cr system, etc.); (2) new suggestions for the prevention/mitigation of the different problems and new methods for their detection/measurement and (3) new techniques for surface/bulk property enhancement (such as laser shot peening, grain boundary engineering and grain refinement). Recent developments in topics like phase prediction, stacking fault energy, superplasticity, metadynamic recrystallisation and the calculation of mechanical properties are introduced, too. In the end of this article, several new applications that involve the use of stainless steels are presented. Some of these are the use of austenitic stainless steels for signature authentication (magnetic recording), the utilisation of the cryogenic magnetic transition of the sigma phase for hot spot detection (the Sigmaplugs), the new Pt-enhanced radiopaque stainless steel (PERSS) coronary stents and stainless steel stents that may be used for magnetic drug targeting. Besides recent developments in conventional stainless steels, those in the high-nitrogen, low-Ni (or Ni-free) varieties are also introduced. These recent developments include new methods for attaining very high nitrogen contents, new guidelines for alloy design, the merits/demerits associated with high nitrogen contents, etc.

Recent developments in stainless steels

Welding Metallurgy of

Twinning-induced plasticity (TWIP) steels

Formation of Shear Bands and Strain-induced Martensite During Plastic Deformation of Metastable Austenitic Stainless Steels

The effect of strain rate on strain-induced γ → α′-martensite transformation and mechanical behavior of austenitic stainless steel grades EN 1.4318 (AISI 301LN) and EN 1.4301 (AISI 304) was studied at strain rates ranging between 3×10−4 and 200 s−1. The most important effect of the strain rate was found to be the adiabatic heating that suppresses the strain-induced γ → α′ transformation. A correlation between the work-hardening rate and the rate of γ → α′ transformation was found. Therefore, the changes in the extent of the α′-martensite formation strongly affected the work-hardening rate and the ultimate tensile strength of the materials. Changes in the martensite formation and work-hardening rate affected also the ductility of the studied steels. Furthermore, it was shown that the square root of the α′-martensite fraction is a linear function of flow stress. This indicates that the formation of α′-martensite affects the stress by influencing the dislocation density of the austenite phase. Olson-Cohen analysis of the martensite measurement results did not indicate any effect of strain rate on shear band formation, which was contrary to the transmission electron microscopy (TEM) examinations. The β parameter decreased with increasing strain rate, which indicates a decrease in the chemical driving force of the α → α′ transformation.

Effect of strain rate on the strain-induced γ→α'-martensite transformation and mechanical properties of austenitic stainless steels

Thermodynamic modeling of the stacking fault energy of austenitic steels

Several techniques for measuring the strain induced α-martensite content in EN 1.4318 (AISI 301LN) and EN 1.4301 (AISI 304) austenitic stainless steels were compared in order to determine a correlation curve between Ferritescope measurement results and actual α-martensite contents. The studied methods involved Satmagan measurement, magnetic balance measurement, X-ray diffraction, density measurement and quantitative optical metallography. Satmagan, magnetic balance and density measurements were found to give equal α-martensite contents. X-ray diffraction results were affected by the texture but averaging of several diffraction peaks improved the reliability of the results. It was shown that α-martensite can be detected by means of optical metallography, but quantitative analysis is time consuming and inaccurate. The relationship between the Ferritescope results and actual α-martensite contents measured with the other techniques was found to be linear. According to the results, the Ferritescope rea...

Hannu Hänninen

Papers

Formation of Shear Bands and Strain-induced Martensite During Plastic Deformation of Metastable Austenitic Stainless Steels

Effect of strain rate on the strain-induced γ→α'-martensite transformation and mechanical properties of austenitic stainless steels

Thermodynamic modeling of the stacking fault energy of austenitic steels

Comparison of different methods for measuring strain induced α-martensite content in austenitic steels

Highly mobile twinned interface in 10 M modulated Ni–Mn–Ga martensite: Analysis beyond the tetragonal approximation of lattice