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

Emerged in the middle of 20th century, composite materials are now one of the hotspot research topics in the modern technology. Their promising characteristics make them suitable for enormous applications in industrial field such as aerospace, automotive, construction, sports, bio-medical and many others. These materials reveal remarkable structural and mechanical properties such as high strength to weight ratio, resistance to chemicals, fire, corrosion and wear; being economical to manufacture. Herein, an overview of composite materials, their characterization, classification and main advantages linked to physical and mechanical properties based on the recent studies are presented. There, were presented the conventional manufacturing techniques of composite and their applications. It was highlighted the tremendous need to discovery new generation of composites that should incorporate the synthetic or natural materials by implementing new efficient manufacturing processes. In the combination of matrix and reinforcement materials, the use of natural materials as constituent are compulsory in order to obtain a complete material degradable as environmentally friendly.

Recent progress of reinforcement materials: a comprehensive overview of composite materials

As a crucial branch for titanium industry, high-strength titanium alloys (HS-TAs, with UTS ≥ 1100 MPa) are indispensable structural materials for advanced engineering applications such as aerospace and marine fields. Along with the expansion of HS-TAs’ market, achieving satisfying synergies of high strength, high ductility (elongation ≥ 6%) and high toughness (KIC ≥ 50 MPa⋅m1/2) has been identified as the uppermost technical bottleneck for their research and development. To overcome the challenge, two primary strategies have been initiated by the titanium community, developing novel alloys and innovating processing technologies. For the former, a dozen of newly-developed alloys were reported to exhibit excellent strength-ductility-toughness combinations, including Ti-5553, BT22, TC21 and Ti-1300, for which the ideal mechanical performances were based on specific microstructures realized by low impurity rate (e.g. oxygen content ≤ 0.15 wt%), complicated processing and complex heat treatment. For the latter, several innovatory forging and heat treatment technologies were originated for the mature alloys to optimize their balanced property by extraordinary microstructural characteristics. In this review, we provide a comprehensive overview over the research status, processing and heat treatment technologies, phase transformation, processing-microstructure-property correlation and strengthening-toughening mechanism of HS-TAs for aerospace engineering applications manufactured via melting-forging process. Finally, the prospects and recommendations for further investigation and development are proposed based on this review. 

High-strength titanium alloys for aerospace engineering applications: A review on melting-forging process

Bamboo fibers demonstrate enormous potential as the reinforcement phase in composite materials. In this study, in order to find suitable NaOH concentration for bamboo fiber treatment, bamboo fibers were treated with 2 wt.%, 6 wt.% and 10 wt.% NaOH solutions for 12 h, respectively. We determined that 6 wt.% NaOH treated bamboo fibers were optimal for the fabrication of bamboo fiber composites by single fiber tensile test, single fiber pull-out test, Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The short length bamboo fibers treated with 6 wt.% NaOH solutions were well dispersed in the epoxy matrix by a new preparation method. The effect of fiber content and fiber length on the mechanical behavior of bamboo fiber reinforced epoxy composites was investigated. The results confirmed that fracture toughness and flexural modulus of the composites monotonically increased with fiber length and content. However, for all samples, composites showed negligible difference on the flexural strength. The fracture surfaces of the composites were observed by SEM, revealing that fiber breakage, matrix cracking, debonding, and fiber pull out were major failure types. In addition, thermogravimetric analysis (TGA) was carried out to investigate the thermal behavior of both bamboo fibers and composites.

Thermal and Mechanical Properties of Bamboo Fiber Reinforced Epoxy Composites.

This paper presents the thermal and mechanical properties of bamboo fiber reinforced composite (BFRC) derived from Gigantochloa scortechinii. The bamboo fibers were prepared through chemical treatment by sodium hydroxide (NaOH) followed by physical milling method. The thermal characteristics of the bamboo fiber and its polymer composite were analysed using a thermogravimetric analysis and differential scanning calorimetric. The functional groups and crystallinity of the fiber were analysed with Fourier transform infrared and x-ray diffraction spectroscopy. Meanwhile, the fiber morphology was examined using a scanning electron microscope. The BFRCs with fiber volume fractions ranging from 0 % to 40 % embedded in three thermoset resins (epoxy, polyester, vinyl ester) were subjected to tensile and flexural tests and the fracture pattern was examined. The NaOH concentration of 10 % with soaking duration of 48 h was found to produce a bamboo fiber with the highest ultimate tensile and modulus strength. The tensile and flexural properties of all the BFRCs were found to be directly proportional to the fiber volume fractions. It was found that the bamboo fiber reinforced epoxy composite (BFREC) with 40 % fiber volume fraction exhibited the highest tensile and flexural strength compared to polyester and vinyl ester composites. The method of bamboo fiber composite preparation in this work may serve as a useful guide to produce a strong BFRC for external strengthening of buildings and structures.

Thermal and mechanical properties of bamboo fiber reinforced composites

The objective of this study is to investigate the effect of surface treatment on the morphology and thermo-mechanical properties of bamboo fibers. The fibers are subjected to an alkali treatment using 4 wt % sodium hydroxide (NaOH) for 1 h. Mechanical measurements show that the present concentration has an insignificant effect on the fiber tensile strength. In addition, systematic experimental results characterizing the morphological aspects and thermal properties of the bamboo fibers are analyzed by scanning electron microscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, and differential scanning calorimetry. It is found that an alkali treatment may increase the effective surface area, which is in turn available for superior bonding with the matrix. Fourier transform infrared spectroscopy analysis reveals that the alkali treatment leads to a gradual removal of binding materials, such as hemicellulose and lignin from the bamboo fiber. A comparison of the curve of thermogravimetric analysis and differential scanning calorimetry for the treated and untreated samples is presented to demonstrate that the presence of treatment contributes to a better thermal stability for bamboo fibers.

Influence of Surface Modification on the Microstructure and Thermo-Mechanical Properties of Bamboo Fibers

There is growing evidence that the standard Weibull strength distribution is not always accurate for the description of variability in tensile strength and its dependence on the gauge size of brittle fibers. In this work, a modified Weibull model by incorporating the diameter variation of bamboo fiber is proposed to investigate the effect of fiber length and diameter on the tensile strength. Fiber strengths are obtained for lengths ranging from 20 to 60 mm and diameters ranging from 196.6 to 584.3 μm through tensile tests. It is shown that as the within-fiber diameter variation increases, the fracture strength of the bamboo fiber decreases. In addition, the accuracy of using weak-link scaling predictions based on the standard and modified Weibull distribution are assessed, which indicates that the use of the modified distribution provides better correlation with the experimental data than the standard model. The result highlights the accuracy of the modified Weibull model for characterizing the strength and predicting the size dependence of bamboo fiber.

Modified Weibull Distribution for Analyzing the Tensile Strength of Bamboo Fibers

Cohesive zone modeling for crack propagation in polycrystalline NiTi alloys using molecular dynamics

In this study, polylactide acid (PLA) is filled with bamboo fibers (BFs) to fabricate a biodegradable natural composite for industrial applications. The influence of pre-treatment of BFs using 4 wt % sodium hydroxide (NaOH) solution at room temperature for 1 h on thermal and mechanical properties of resultant composites is systematically investigated. Differential scanning calorimetry and thermogravimetric analysis demonstrate that the incorporation of treated BFs promotes higher glass transition and crystallization temperatures of the resultant composites relative to untreated fiber composites, whereas alkali treatment results in superior thermal stability. Furthermore, the fracture surfaces are characterized by scanning electron microscopy. The changes in morphology reveal the possible dissolution of hemicellulose and lignin by alkalization with NaOH, indicative of an improved interfacial adhesion. An increment in the tensile strength of composites is achieved through the reinforcement with treated fibers. However, a lower tensile modulus is found for composites reinforced with chemically modified BFs, which might be due to the partial conversion of cellulose I into II. The results highlight that the use of BFs could be a feasible candidate as reinforcements for the development of biodegradable composites.

Thermo-Mechanical Performance of Polylactide Composites Reinforced with Alkali-Treated Bamboo Fibers

The effect of elementary fibre variability on bamboo fibre strength

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