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

The nondestructive assessment of the damage that occurs in components during service plays a key role for condition monitoring and residual life estimation of in-service components/structures. Ultrasound has been widely utilized for this; however most of these conventional methods using ultrasonic characteristics in the linear elastic region are only sensitive to gross defects but much less sensitive to micro-damage. Recently, the nonlinear ultrasonic technique, which uses nonlinear ultrasonic behavior such as higher-harmonic generation, subharmonic generation, nonlinear resonance, or mixed frequency response, has been studied as a positive method for overcoming this limitation. In this paper, overall progress in this technique is reviewed with the brief introduction of basic principle in the application of each nonlinear ultrasonic phenomenon.

Nonlinear ultrasonic techniques for nondestructive assessment of micro damage in material: A review

Modelling of nonlinear crack–wave interactions for damage detection based on ultrasound—A review

Carbon nanotube-reinforced aluminium strips

Hydrogen solubility and diffusion in austenitic stainless steels, namely AISI 310, AISI 301LN and AISI 201, are studied with thermal desorption spectroscopy (TDS) after electrochemical potentiostatic hydrogen pre-charging. Temperature dependencies of hydrogen desorption for all studied steels manifest a complex main peak caused by hydrogen releasing from the steel lattice by diffusion. Depending on the steel and heating rate the peak is situated from 350 to 500 K and its shape reflects a specific of hydrogen diffusion in stainless steels, which are multicomponent alloys. Analysis of the TDS curves is based on the hydrogen diffusion model taking into account trapping of hydrogen atoms in the energetically deep interstitial positions in the steel crystal lattice. Diffusion coefficient of hydrogen and its total content after the same charging procedure are obtained from the TDS curves and compared for the studied steels.

Hydrogen Solubility and Diffusion in Austenitic Stainless Steels Studied with Thermal Desorption Spectroscopy

Microstructural manifestation of dynamic strain aging in AISI 316 stainless steel

Hydrogen effects on material behavior and corrosion deformation interactions

Effects of grain size and deformation temperature on hydrogen-enhanced vacancy formation in Ni alloys

Additive manufacturing (AM) is a rapidly growing field of technology. In order to increase the variety of metal alloys applicable for AM, selective laser melting (SLM) of duplex stainless steel 2205 powder and the resulting microstructure, density, mechanical properties, and corrosion resistance were investigated. An optimal set of processing parameters for producing high density (>99.9%) material was established. Various post-processing heat treatments were applied on the as-built predominantly ferritic material to achieve the desired dual-phase microstructure. Effects of annealing at temperatures of 950 °C, 1000 °C, 1050 °C, and 1100 °C on microstructure, crystallographic texture, and phase balance were examined. As a result of annealing, 40–46 vol.% of austenite phase was formed. Annealing decreased the high yield and tensile strength values of the as-built material, but significantly increased the ductility. Annealing also decreased the residual stresses in the material. Mechanical properties of the SLM-processed and heat-treated materials outperformed those of conventionally produced alloy counterparts. Using a scanning strategy with 66° rotation between layers decreased the strength of the crystallographic texture. Electrochemical cyclic potentiodynamic polarization testing in 0.6 M NaCl solution at room temperature showed that the heat treatment improved the pitting corrosion resistance of the as-built SLM-processed material.

https://www.mdpi.com/1996-1944/12/15/2468/pdf

Selective Laser Melting of Duplex Stainless Steel 2205: Effect of Post-Processing Heat Treatment on Microstructure, Mechanical Properties, and Corrosion Resistance.

Yuriy Yagodzinskyy

Papers

Hydrogen Solubility and Diffusion in Austenitic Stainless Steels Studied with Thermal Desorption Spectroscopy

Microstructural manifestation of dynamic strain aging in AISI 316 stainless steel

Hydrogen effects on material behavior and corrosion deformation interactions

Effects of grain size and deformation temperature on hydrogen-enhanced vacancy formation in Ni alloys

Selective Laser Melting of Duplex Stainless Steel 2205: Effect of Post-Processing Heat Treatment on Microstructure, Mechanical Properties, and Corrosion Resistance.