Department of Mechanical engineering

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Author: search.filters.author.Kumar, AmitSubject: search.filters.subject.Molecular dynamics (MD)

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    Atomic scale insights into material removal mechanisms in nanoscale machining of copper beryllium
    (Sage, 2023-12) Kumar, Amit; Sharma, Anuj
    The heterogeneous nature of the copper beryllium (CuBe) workpiece because of the presence of hard particles tends to affect material removal. When machining a CuBe material, it is anticipated that the mechanism of cutting and surface formation may differ from those seen when cutting a homogenous Cu material. Although these mechanisms are popular for the diamond turning of homogeneous materials, they have not been thoroughly studied in relation to CuBe alloys, which contain hard beryllium precipitates. Therefore, the effect of hard particles in the workpiece specimen on the nano-regime diamond turning of CuBe alloy needs to be understood. To explain the influence of Beryllium (Be) particles on the cutting tool and the workpiece surface, a molecular dynamics (MD) simulation was performed. It is revealed that the material removal mechanism in the case of CuBe is phase-dependent. Ductile machining is dominant in the Cu phase, and brittle fracture is dominant in the Be rich phase. It is also observed that the a/r ratio equal to 1 is suitable for cutting in the Cu phase and for ductile regime machining conditions in the Be phase. The a/r ratio higher than 1 causes higher cutting forces, and thus shear plane cutting takes place, which leads to a higher amount of material removal.
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    A review on applications of molecular dynamics in additive manufacturing
    (Sage, 2024-02) Sharma, Anuj; Kumar, Amit
    Additive manufacturing (AM) is an emerging technology that has significant geometric and material capabilities, because of which it is being used in different fields such as aerospace, healthcare, automotive, architecture, and construction. This process takes the digital data for the three-dimensional model to be made and adds materials accordingly in a layer-by-layer manner. Therefore, the understanding of materials at the atomic level may help in getting optimized output in the AM process, and it can have a significant impact on the final products. Molecular dynamics (MD) studies the dynamic behavior of molecules and materials at the atomic and molecular scales. The main objective of this review article is to briefly discuss how MD simulations may be utilized to examine AM processes. This review also covers the potential benefits of using MD to characterize AM processes, the current literature on using MD to simulate AM processes, the primary obstacles and limitations of MD simulations, and the methodologies utilized in AM simulations using MD. Finally, this article concludes with an in-depth discussion and outlines future research potentials.