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

Materials and structures with negative Poisson's ratio exhibit a counter-intuitive behaviour. Under uniaxial compression (tension), these materials and structures contract (expand) transversely. The materials and structures that possess this feature are also termed as 'auxetics'. Many desirable properties resulting from this uncommon behaviour are reported. These superior properties offer auxetics broad potential applications in the fields of smart filters, sensors, medical devices and protective equipment. However, there are still challenging problems which impede a wider application of auxetic materials. This review paper mainly focuses on the relationships among structures, materials, properties and applications of auxetic metamaterials and structures. The previous works of auxetics are extensively reviewed, including different auxetic cellular models, naturally observed auxetic behaviour, different desirable properties of auxetics, and potential applications. In particular, metallic auxetic materials and a methodology for generating 3D metallic auxetic materials are reviewed in details. Although most of the literature mentions that auxetic materials possess superior properties, very few types of auxetic materials have been fabricated and implemented for practical applications. Here, the challenges and future work on the topic of auxetics are also presented to inspire prospective research work. This review article covers the most recent progress of auxetic metamaterials and auxetic structures. More importantly, several drawbacks of auxetics are also presented to caution researchers in the future study.

Auxetic metamaterials and structures: a review

The surge of interest in so-called “designer materials” during the last few years together with recent advances in additive manufacturing (3D printing) techniques that enable fabrication of materials with arbitrarily complex nano/micro-architecture have attracted increasing attention to the concept of mechanical metamaterials. Owing to their rationally designed nano/micro-architecture, mechanical metamaterials exhibit unusual properties at the macro-scale. These unusual mechanical properties could be exploited for the development of materials with advanced functionalities, with applications in soft robotics, biomedicine, soft electronics, acoustic cloaking, etc. Auxetic mechanical metamaterials are identified by a negative Poisson's ratio and are perhaps the most widely studied type of mechanical metamaterials. Similar to other types of mechanical metamaterials, the negative Poisson's ratio of auxetics is generally a direct consequence of the topology of their nano/micro-architecture. This paper therefore focuses on the topology–property relationship in three main classes of auxetic metamaterials, namely re-entrant, chiral, and rotating (semi-) rigid structures. While the deformation mechanisms in the above-mentioned types of structures and their relationship with the large-scale mechanical properties receive most attention, the emerging concepts in design of auxetics such as the use of instability in soft matter and origami-based structures are discussed as well. Furthermore, the data available in the literature regarding the elastic properties of auxetic mechanical metamaterials are systematically analyzed to identify the spread of Young's modulus–Poisson's ratio duos achieved in the auxetic materials developed to date.

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Auxetic mechanical metamaterials

Generation of 3D representative volume elements for heterogeneous materials: a review

This paper presents the wear behaviour of Al6061-T6 discontinuously reinforced with silicon carbide (SiC) and aluminium oxide (Al2O3) composite. The test specimens are prepared and tested as per ASTM standard. The experiments are conducted by using a pin on disc wear tester. Empirical relation is established to estimate the wear using statistical regression analysis and analysis of variance (ANOVA). The results indicated that the wear resistance of the 15% hybrid composite is better than that of the 5% composite. The fracture surface of composites shows the ductile tear ridges and cracked SiC and Al2O3 particles indicating both ductile and brittle fracture mechanism.

Zixing Lu

Papers

A novel re-entrant auxetic honeycomb with enhanced in-plane impact resistance

Novel structure with negative Poisson’s ratio and enhanced Young’s modulus

Microstructure and mechanical properties of three-dimensional five-directional braided composites

In-plane dynamic crushing behaviors of a novel auxetic honeycomb with two plateau stress regions

Novel auxetic structures with enhanced mechanical properties