Browsing by Author "Agrawal, Anupam"

Now showing 1 - 6 of 6
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    Atomistic investigation on the structure-property relationship during thermal spray nanoparticle impact
    (Elsevier, 2013-12-31) Goel, Saurav; Faisal, Nadimul Haque; Ratia, Vilma; Agrawal, Anupam; Stukowski, Alexander
    During thermal spraying, hot particles impact on a colder substrate. This interaction of crystalline copper nanoparticles and copper substrate is modeled, using MD simulation. The quantitative results of the impacts at different velocities and temperatures are evaluated using a newly defined flattening aspect ratio. This ratio between the maximum diameter after the impact and the height of the splat increases with increasing Reynolds numbers until a critical value is reached. At higher Reynolds numbers the flattening aspect ratio decreases again, as the kinetic energy of the particle leads to increasing substrate temperature and, therefore, decreases the substrate resistance. Thus, the particle penetrates into the substrate and deforms less.
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    Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten
    (Elsevier, 2018-06-22) Goel, Saurav; Cross, Graham; Stukowski, Alexander; Gamsjäger, Ernst; Beake, Ben D.; Agrawal, Anupam
    Atomic simulations are widely used to study the mechanics of small contacts for many contact loading processes such as nanometric cutting, nanoindentation, polishing, grinding and nanoimpact. A common assumption in most such studies is the idealisation of the impacting material (indenter or tool) as a perfectly rigid body. In this study, we explore this idealisation and show that active chemical interactions between two contacting asperities lead to significant deviations of atomic scale contact mechanics from predictions by classical continuum mechanics. We performed a testbed study by simulating velocity-controlled, fixed displacement nanoindentation on single crystal tungsten using five types of indenter (i) a rigid diamond indenter (DI) with full interactions, (ii) a rigid indenter comprising of the atoms of the same material as that of the substrate i.e. tungsten atoms (TI), (iii) a rigid diamond indenter with pairwise attraction turned off, (iv) a deformable diamond indenter and (v) an imaginary, ideally smooth, spherical, rigid and purely repulsive indenter (RI). Corroborating the published experimental data, the simulation results provide a useful guideline for selecting the right kind of indenter for atomic scale simulations.
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    Molecular dynamics simulation of nanoindentation of Fe3C and Fe4C
    (Elsevier, 2014-01-08) Goel, Saurav; Joshi, Suhas S.; Abdelal, Gasser; Agrawal, Anupam
    Study of nanomechanical response of iron carbides is important because presence of iron carbides greatly influences the performance and longevity of steel components. This work contributes to the literature by exploring nanoindentation of Fe3C and tetrahedral-Fe4C using molecular dynamics simulation. The chemical interactions of iron and carbon were described through an analytical bond order inter-atomic potential (ABOP) energy function. The indentations were performed at an indentation speed of 50 m/s and a repeat trial was performed at 5 m/s. Load–displacement (P–h) curve for both these carbides showed residual indentation depth and maximum indentation depth (hf/hmax) ratio to be higher than 0.7 i.e. a circumstance where Oliver and Pharr method was not appropriate to be applied to evaluate the material properties. Alternate evaluation revealed Fe3C to be much harder than Fe4C. Gibbs free energy of formation and radial distribution function, coupled with state of the average local temperature and von Mises stresses indicate the formation of a new phase of iron-carbide. Formation of this newer phase was found to be due to deviatoric strain rather than the high temperature induced in the substrate during nanoindentation.
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    Nanoindentation of polysilicon and single crystal silicon: Molecular dynamics simulation and experimental validation
    (IOP Publishing, 2014-06-06) Goel, Saurav; Faisal, Nadimul Haque; Luo, Xichun; Yan, Jiwang; Agrawal, Anupam
    This paper presents novel advances in the deformation behaviour of polycrystalline and single crystal silicon using molecular dynamics (MD) simulation and validation of the same via nanoindentation experiments. In order to unravel the mechanism of deformation, four simulations were performed: indentation of a polycrystalline silicon substrate with a (i) Berkovich pyramidal and a (ii) spherical (arc) indenter, and (iii and iv) indentation of a single crystal silicon substrate with these two indenters. The simulation results reveal that high pressure phase transformation (HPPT) in silicon (Si-I to Si-II phase transformation) occurred in all cases; however, its extent and the manner in which it occurred differed significantly between polycrystalline silicon and single crystal silicon, and was the main driver of differences in the nanoindentation deformation behaviour between these two types of silicon. Interestingly, in polycrystalline silicon, the HPPT was observed to occur more preferentially along the grain boundaries than across the grain boundaries. An automated dislocation extraction algorithm (DXA) revealed no dislocations in the deformation zone, suggesting that HPPT is the primary mechanism in inducing plasticity in silicon.
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    New insights into the methods for predicting ground surface roughness in the age of digitalisation
    (Elsevier, 2020-11-06) Pan, Yuhang; Zhou, Ping; Yan, Ying; Agrawal, Anupam; Wang, Yonghao; Guo, Dongming; Goel, Saurav
    Grinding is a multi-length scale material removal process that is widely employed to machine a wide variety of materials in almost every industrial sector. Surface roughness induced by a grinding operation can affect corrosion resistance, wear resistance, and contact stiffness of the ground components. Prediction of surface roughness is useful for describing the quality of ground surfaces, evaluate the efficiency of the grinding process and guide the feedback control of the grinding parameters in real-time to help reduce the cost of production. This paper reviews extant research and discusses advances in the realm of machining theory, experimental design and Artificial Intelligence related to ground surface roughness prediction. The advantages and disadvantages of various grinding methods, current challenges and evolving future trends considering Industry-4.0 ready new generation machine tools are also discussed.
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    Resilient and agile engineering solutions to address societal challenges such as coronavirus pandemic
    (Elsevier, 2020-05-28) Goel, Saurav; Hawi, Sara; Goel, Gaurav; Thakur, Vijay Kumar; Agrawal, Anupam; Hoskins, Clare; Pearce, Oliver; Hussain, Tanvir; Upadhyaya, Hari M.; Cross, Graham; Barber, Asa H.
    The world is witnessing tumultuous times as major economic powers including the US, UK, Russia, India, and most of Europe continue to be in a state of lockdown. The worst-hit sectors due to this lockdown are sales, production (manufacturing), transport (aerospace and automotive) and tourism. Lockdowns became necessary as a preventive measure to avoid the spread of the contagious and infectious “Coronavirus Disease 2019” (COVID-19). This newly identified disease is caused by a new strain of the virus being referred to as Severe Acute Respiratory Syndrome CoronaVirus 2 (SARS CoV-2; formerly called 2019-nCoV). We review the current medical and manufacturing response to COVID-19, including advances in instrumentation, sensing, use of lasers, fumigation chambers and development of novel tools such as lab-on-the-chip using combinatorial additive and subtractive manufacturing techniques and use of molecular modelling and molecular docking in drug and vaccine discovery. We also offer perspectives on future considerations on climate change, outsourced versus indigenous manufacturing, automation, and antimicrobial resistance. Overall, this paper attempts to identify key areas where manufacturing can be employed to address societal challenges such as COVID-19.