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

Manufacturing-oriented topology optimization has been extensively studied the past two decades, in particular for the conventional manufacturing methods, for example, machining and injection molding or casting. Both design and manufacturing engineers have benefited from these efforts because of the close-to-optimal and friendly-to-manufacture design solutions. Recently, additive manufacturing (AM) has received significant attention from both academia and industry. AM is characterized by producing geometrically complex components layer-by-layer, and greatly reduces the geometric complexity restrictions imposed on topology optimization by conventional manufacturing. In other words, AM can make near-full use of the freeform structural evolution of topology optimization. Even so, new rules and restrictions emerge due to the diverse and intricate AM processes, which should be carefully addressed when developing the AM-specific topology optimization algorithms. Therefore, the motivation of this perspective paper is to summarize the state-of-art topology optimization methods for a variety of AM topics. At the same time, this paper also expresses the authors' perspectives on the challenges and opportunities in these topics. The hope is to inspire both researchers and engineers to meet these challenges with innovative solutions.

/pdf/current-and-future-trends-in-topology-optimization-for-7k1902v47j.pdf

Current and future trends in topology optimization for additive manufacturing

Constitutive boundary conditions and paradoxes in nonlocal elastic nanobeams

Metal components with applications across a range of industrial sectors can be manufactured by selective laser melting (SLM). A particular strength of SLM is its ability to manufacture components incorporating periodic lattice structures not realisable by conventional manufacturing processes. This enables the production of advanced, functionally graded, components. However, for these designs to be successful, the relationships between lattice geometry and performance must be established. We do so here by examining the mechanical behaviour of uniform and graded density SLM Al-Si10-Mg lattices under quasistatic loading. As-built lattices underwent brittle collapse and non-ideal deformation behaviour. The application of a microstructure-altering thermal treatment drastically improved their behaviour and their capability for energy absorption. Heat-treated graded lattices exhibited progressive layer collapse and incremental strengthening. Graded and uniform structures absorbed almost the same amount of energy prior to densification, 6.3±0.26.3±0.2 MJ/m3 and 5.7±0.25.7±0.2 MJ/m3, respectively, but densification occurred at around 7% lower strain for the graded structures. Several characteristic properties of SLM aluminium lattices, including their effective elastic modulus and Gibson-Ashby coefficients, C1 and α, were determined; these can form the basis of new design methodologies for superior components in the future.

/pdf/a-mechanical-property-evaluation-of-graded-density-al-si10-2t3mb2ihpx.pdf

A mechanical property evaluation of graded density Al-Si10-Mg lattice structures manufactured by selective laser melting

https://spiral.imperial.ac.uk/bitstream/10044/1/73026/9/1-s2.0-S0264127519306021-main.pdf

Mesut Kirca

Papers

Efficient Design-Optimization of Variable-Density Hexagonal Cellular Structure by Additive Manufacturing: Theory and Validation

Exact solution of Eringen's nonlocal integral model for bending of Euler–Bernoulli and Timoshenko beams

Sandwiched graphene-fullerene composite: A novel 3-D nanostructured material for hydrogen storage

Exact solution of Eringen's nonlocal integral model for vibration and buckling of Euler–Bernoulli beam

Computational modeling of micro-cellular carbon foams