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

High-performance integrated additive manufacturing with laser shock peening (LSP), is an innovative selective laser melting (SLM) method to improve mechanical properties, and refine microstructure in the surface layer of metallic components. Phase, residual stress distribution, surface micro-hardness, tensile properties and microstructural evolution of SLMed and SLM-LSPed specimens in horizontal and vertical directions were examined. In particular, typical microstructural features in the surface layer were characterized by transmission electron microscopy (TEM) observations. Results indicated that surface micro-hardness subjected to massive LSP treatment had significantly improved, tensile residual stress was transformed into compressive residual stress by LSP-induced plastic deformation, and both SLMed specimens in two directions exhibited a good combination of the ultimate tensile strength (UTS) and ductility. Meanwhile, high-density dislocations and a large number of mechanical twins were generated in the coarse α′ martensites by laser shock wave (LSW), and gradually evolved into refined α′ martensites. Furthermore, according to the included angle between LSW and the deposited plane, two kinds of LSW-induced atomic diffusion processes at the interfaces between both adjacent deposited layers were presented, and the influence mechanisms of the included angle between LSW and the deposited plane on tensile properties of both SLM-LSPed specimens were revealed. The hybrid additive manufacturing technology combined SLM with LSP realizes the high-efficiency and high-quality integrated manufacturing of the formed metallic components for practical applications.

High-performance integrated additive manufacturing with laser shock peening –induced microstructural evolution and improvement in mechanical properties of Ti6Al4V alloy components

Metal additive manufacturing is a rapidly expanding area owing to its capacity to fabricate parts of intricate geometries with customized features for a wide range of applications. However, these parts generally exhibit inadequate and poor surface quality in the as-built configuration. The surface imperfections and defects ranging from staircase effect due to the layer by layer nature of the deposition techniques, partially fused feedstock material, balling effects, spatters, or inadequate fusion lead to a notably irregular surface morphology. This high surface roughness can significantly deteriorate the performance of the additive manufactured parts imposing a substantial limit on their prospective applications; for instance, fatigue performance, wear and scratch resistance, dimensional accuracy, and aesthetical aspects can be highly affected by these surface defects. A great effort has been lately dedicated to developing post-treatments for improving the surface quality of additively manufactured metallic parts. In this paper, various treatments applied to as-built samples fabricated using different additive manufacturing technologies are introduced and discussed. The advances in this area are highlighted, and the results obtained from different categories of post-treatments are compared and reviewed. Challenges and opportunities to gain more control on the surface roughness of additively manufactured metallic parts through the application of these post-treatments are addressed.

Surface post-treatments for metal additive manufacturing: Progress, challenges, and opportunities

Microstructural characterisation of metallic shot peened and laser shock peened Ti–6Al–4V

Laser shock peening (LSP) is an innovative surface treatment technique, and can significantly improve the fatigue performance of metallic components. In this paper, the objective of this work was to improve the fatigue resistance of TC6 titanium alloy by laser shock peening. Firstly, the effects on the microstructure and mechanical properties with different LSP impacts were investigated, which were observed and measured by X-ray diffraction (XRD), transmission electron microscope (TEM), residual stress tester and microhardness tester. Specially, nanostructure was detected in the laser-peened surface layer with multiple LSP impacts. Whereafter, a better parameter was chosen to be applied on the standard vibration fatigue specimens. Via the high-cycle vibration fatigue tests, the high cycle fatigue limits of the specimens without and with LSP were obtained and compared. The fatigue results demonstrate that LSP can effectively improve the fatigue limit of TC6 titanium alloy. The strengthening mechanism was indicated by analyzing the effects on the microstructure and mechanical properties comprehensively.

Experiment investigation of laser shock peening on TC6 titanium alloy to improve high cycle fatigue performance

Laser shock peening (LSP) is an effective surface treatment for improving fatigue resistance of metallic materials, in which high-amplitude beneficial residual stresses and structure changes can be produced. In aero-engines, the compressor blade made of TC11 titanium alloy was prone to result in high cycle fatigue (HCF) failure. The aim of this paper was to utilize LSP with befitting parameters to improve the HCF performance of TC11 titanium alloy. Firstly, the microstructure and mechanical properties of TC11 titanium alloy with different LSP impacts were observed and measured via transmission electron microscope (TEM), residual stress tester and microhardness tester. High-density dislocations and nanostructure were observed in the surface layer. High-amplitude compressive residual stresses were induced and microhardness was remarkably improved. According to the effects, a set of LSP parameters with three LSP impacts was confirmed and applied on standard vibration specimens. Vibration fatigue tests were conducted to validate the strengthening effect on HCF strength. The fracture mechanism was analyzed by fracture analysis. The strengthening mechanism of LSP was indicated by establishing the relationship between fatigue characteristics and effects on residual stress and microstructural changes.

Effect study and application to improve high cycle fatigue resistance of TC11 titanium alloy by laser shock peening with multiple impacts

The deformation mechanism of TC6 titanium alloys at ultrahigh strain rates (>10 6  s −1 ) during multiple LSP was investigated. When nanosecond pulse and 1000 MW laser irradiated on the materials, the high pressure plasma shock wave was induced and ultrahigh strain rates response was caused in the material. The TEM observation of the surface layer indicates that a layer of nanocrystalline has been formed and is unevenly distributed after a single impact. Increasing impact times could provide longer time and more energy to dislocation movement which refines the grains into smaller size and makes the distribution uniform. The hardness of TC6 titanium alloy has been improved by a single laser shock peening, forming a severe plastic deformted layer with a depth of 200 μm. Increasing impact times will improve the hardness and effective depth. The XRD test shows that the position of diffraction peak did not show any change, but the Bragg diffraction peak was broadened. Dislocation activity is a prevalent deformation mechanism of TC6 titanium alloy in the grain refinement study.

Weifeng He

Papers

Experiment investigation of laser shock peening on TC6 titanium alloy to improve high cycle fatigue performance

Effect study and application to improve high cycle fatigue resistance of TC11 titanium alloy by laser shock peening with multiple impacts

Deforming TC6 titanium alloys at ultrahigh strain rates during multiple laser shock peening

Laser shock peening induced surface nanocrystallization and martensite transformation in austenitic stainless steel

Probabilistic fatigue assessment for high-speed railway axles due to foreign object damages