There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

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

Dual-phase (DP) steel is the flagship of advanced high-strength steels, which were the first among various candidate alloy systems to find application in weight-reduced automotive components. On the one hand, this is a metallurgical success story: Lean alloying and simple thermomechanical treatment enable use of less material to accomplish more performance while complying with demanding environmental and economic constraints. On the other hand, the enormous literature on DP steels demonstrates the immense complexity of microstructure physics in multiphase alloys: Roughly 50 years after the first reports on ferrite-martensite steels, there are still various open scientific questions. Fortunately, the last decades witnessed enormous advances in the development of enabling experimental and simulation techniques, significantly improving the understanding of DP steels. This review provides a detailed account of these improvements, focusing specifically on (a) microstructure evolution during processing, (b) exp...

An Overview of Dual-Phase Steels: Advances in Microstructure-Oriented Processing and Micromechanically Guided Design

Simultaneous capture removal of phosphate, ammonium and organic substances by MgO impregnated biochar and its potential use in swine wastewater treatment

Thermomechanical processing of advanced high strength steels

A study of the microstructural evolution of a Ni-based superalloy, Allvac 718Plus, in the forged condition, was performed by varying the solutionizing temperature. Different solutionizing temperatures were chosen to obtain different fractions of the gamma prime (Ni3(Al,Ti,Nb), γ′) and delta (Ni3Nb, δ) precipitates. The solutionizing temperatures ranged between 954 to 1100 °C based on the solvus temperature of the γ′ phase. The 954 °C solutionizing treatment resulted in incomplete dissolution of the γ′ phase and a relatively high-volume fraction of the δ phase, which formed preferentially at grain boundaries. The γ′ phase was completely dissolved during each of the other three solutionizing treatments (1000, 1050, and 1100 °C), while the fraction of the δ phase decreased with increasing solutionizing temperature. The 1100 °C solutionizing treatment led to significant grain growth of the matrix γ phase. After solutionizing, the samples were subjected to a standard two-step aging treatment (788 °C for 8 h followed by 704 °C for 8 h) to see the relative effect of the solutionizing on the precipitation during aging.

The Effects of Solutionizing Temperature on the Microstructure of Allvac 718Plus

Martensite—Ferrite Microalloyed Steels

The effect of temperature (350 °C i M S i 450 °C) on the partitioning mechanisms and the final microstructure evolution in a CMnSiAl quenching and partitioning (Q&P) steel was investigated. The microstructure of both the Q&P specimens, comprised of distorted BCC or pseudo tetragonal martensite structure with two different characteristics namely (i) tempered or carbon depleted martensite that formed during initial quenching (M f i 240 °C i M S ) and partitioning step and (ii) carbon enriched fresh martensite that formed after partitioning step and final quenching (RT) together with blocky and inter-lath films of retained austenite. In addition, packets of M/A constituents were observed in Q&P-350-1min specimen and some traces of carbide and plate martensite were observed in Q&P-450-1min specimen. The increase in partitioning temperature led to nearly 2% increase in the amount of retained austenite (both blocky and inter-lath) with increased carbon content of 0.27 wt.%. Along with carbon partitioning, slight interface mobility/isothermal martensite formation was also observed in the case of specimen partitioned at 350 °C, whereas tempering effect was predominantly seen in the case of specimen partitioned at 450 °C. Irrespective of the partitioning temperature, the amount of carbon required to stabilize the retained austenite at RT was found to be about 1.15 wt.% and was confirmed through APT analysis.

Temperature dependent partitioning mechanisms and its associated microstructural evolution in a CMnSiAl quenching and partitioning (Q&P) steel

Even anisotropic superplastic flow, which is a result of an elongated grain shape and texture, can lead to extreme elongations to fracture (superplasticity). Therefore, to identify the mechanisms of deformation present during superplastic flow alone, the effects of the microstructure should be eliminated first. Using an Al 5083 alloy, in which an equi-axed microstructure is present from the beginning, it is shown that grain boundary sliding, accompanied by grain rotations, is the rate controlling mechanism.

Texture Analysis for Determining the Rate Controlling Process in the Transient and Steady State Regions of Superplastic Flow

It is well known that the interlamellar spacing controls the mechanical properties of any material with a lamellar microstructure. It is also expected, although not yet established, that varying distribution of interlamellar spacing would also influence the properties. However, the problem of determining the distribution of interlamellar spacing from metallographic observations made on single 2D sections is almost intractable. A technique to estimate the true interlamellar spacing in a lamellar microstructure, using a 3D probe referred to as a disector, has been developed. This disector technique was used to obtain the distribution of true interlamellar spacing of pearlite in a microalloyed steel. The results indicate clearly that there is a significant variation of interlamellar spacing across pearlite colonies and also within individual colonies. In addition, it was possible to determine the overall distribution of interlamellar spacing.

S. Sankaran

Papers

The Effects of Solutionizing Temperature on the Microstructure of Allvac 718Plus

Martensite—Ferrite Microalloyed Steels

Temperature dependent partitioning mechanisms and its associated microstructural evolution in a CMnSiAl quenching and partitioning (Q&P) steel

Texture Analysis for Determining the Rate Controlling Process in the Transient and Steady State Regions of Superplastic Flow

Application of the Disector to Determine the Distribution of True Interlamellar Spacing in Lamellar Microstructures