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

A fast-Fourier-transform method of topography and interferometry is proposed. By computer processing of a noncontour type of fringe pattern, automatic discrimination is achieved between elevation and depression of the object or wave-front form, which has not been possible by the fringe-contour-generation techniques. The method has advantages over moire topography and conventional fringe-contour interferometry in both accuracy and sensitivity. Unlike fringe-scanning techniques, the method is easy to apply because it uses no moving components.

Fourier-transform method of fringe-pattern analysis for computer-based topography and interferometry

https://zenodo.org/record/1258680/files/article.pdf

The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy

[Lu, K.; Lu, L.] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China. [Lu, L.; Suresh, S.] MIT, Sch Engn, Cambridge, MA 02139 USA.;Lu, K (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China;lu@imr.ac.cn ssuresh@mit.edu

/pdf/strengthening-materials-by-engineering-coherent-internal-4fkjmv3btq.pdf

Strengthening Materials by Engineering Coherent Internal Boundaries at the Nanoscale

Widespread research since 1950 has provided a wealth of experimental data concerning shock hardening and the spallation response of materials subjected to square-topped shock-wave loading profiles. Sweeping-wave loading is a significantly different loading history than that achieved by a square-topped impulse or 1-D HE-driven plane-wave shock in terms of the evolving spherical and shear stresses applied. Sweeping-wave loading in a flat-plate geometry was previously observed to: a) yield a lower spall strength than previously documented for 1-D supported-shock-wave loading, b) exhibit increased shock hardening as a function of increasing obliquity, and c) lead to an increased incidence of deformation twin formation with increasing shock obliquity (1). The current sweeping-wave loading of a 10 cm radius curved Ta plate is observed to: a) lead to an increase in the shear stress as a function of increasing obliquity, and b) display a more developed level of damage evolution, extensive voids and coalescence, a...

/pdf/influence-of-sample-geometry-on-sweeping-detonation-wave-3qmgutj0z7.pdf

Influence of Sample Geometry on Sweeping-Detonation-Wave Spallation in Tantalum

A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show our unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10$^{-3}$ s$^{-1}$) to extreme strain rates (5000 s$^{-1}$) and at room temperature and higher (873K) at both single- and polycrystal levels. We also present predictive capabilities of our model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and strain-hardening behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for the polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that our modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing severe inelastic deformations.

Deformation and dislocation evolution in body-centered-cubic single- and polycrystal tantalum

Predictive capability for inverting information flow from performance to structure to processing: An evolving paradigm shift in MSE

The behaviour of the intermetallic compound, Ni3Al under shock loading conditions has been measured. The Hugoniot Elastic Limit occurs at ca. 530 MPa, which converts to a 1‐D yield stress of 273 MPa, in agreement with quasi‐static data. In contrast, the ductility at shock‐induced strain‐rates appears much reduced when compared to lower strain‐rates. The Hugoniot in terms of shock velocity and particle velocity suggests that Ni3Al is more compressible than pure nickel. This is in agreement with the greater stiffnesses in nickel, measured using ultrasonic techniques.

The Shock Hugoniot of the Intermetallic Compound, Ni3Al

Detonation waves that sweep along the surface of a metal plate induce reduced pressure and enhanced shear, relative to the same detonation at normal incidence. Detonation waves at intermediate obliquity impress intermediate combined stress states. Release waves from the free surfaces may enter into play and contribute to the damage. Initiation of explosive at discrete points produces strong pressure, density, and velocity gradients in the gaseous explosive products in areas where the waves collide, are impressed in an adjacent metal, causing similar stress gradients within the metal that often leading to intense damage. In this work, we investigate damage generated in AISI 4130 steel by the combined effects of oblique drive and interacting detonation waves. The experimental data consist of multipoint velocimetry points probing the free surface in regions loaded by interacting detonation waves and regions between the interactions. Metallography on recovered plate records the plastic flow and damage correlated with the velocimetry data. Spall is indicated in most regions, but not some, and the alpha-epsilon stress-induced phase transformation appears in most regions, but not all.

http://absimage.aps.org/image/SHOCK13/MWS_SHOCK13-2013-000688.pdf

George T. Gray

Papers

Influence of Sample Geometry on Sweeping-Detonation-Wave Spallation in Tantalum

Deformation and dislocation evolution in body-centered-cubic single- and polycrystal tantalum

Predictive capability for inverting information flow from performance to structure to processing: An evolving paradigm shift in MSE

The Shock Hugoniot of the Intermetallic Compound, Ni3Al

Damage in Low Alloy Steel Produced by Sweeping, Interacting Detonation Waves