Browsing by Author "Hanoon, Zahraa A."

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Citation Count: 0
Application of electric field to aluminum/copper/aluminum trilayer nanocomposites and determination of mechanical properties: A molecular dynamics approach
(Elsevier, 2024) Gao, Xingbin; Abbas, Walaa Nasser; Al-zahy, Younis Mohamed Atiah; Al-Bahrani, Mohammed; Kumar, Nitin; Hanoon, Zahraa A.; Pirmoradian, Mostafa
Most studies considered metal matrix nanocomposites (NCs) because of their excellent mechanical and electrical properties. In recent years, external electric fields (EEFs) in the aforementioned NCs were identified as a crucial role in modulating mechanical behavior. The EEF may affect strength, hardness, ductility, and fracture toughness. The explanation for these changes is the interaction of EEF with the nanoparticles in the metal matrix. In the present study, the effects of various EEF values on the mechanical properties of Al/Cu/Al three-layer NCs (TLNCs) were assessed using the molecular dynamics (MD) modeling method and LAMMPS software. MD findings predicted that the EEF reduced the physical stability and mechanical strength of modeled samples. Physically, this performance resulted from a decrease in attraction force among distinct particles inside the computing box in the presence of EEF. The proposed samples' ultimate tensile strength (UTS) and Young's modulus (YM) decreased to 2.587 GPa and 20.19 GPa, respectively, when the EEF value increased to 0.05 V/& Aring;. Finally, it was determined that EEF is a crucial parameter in the mechanical development of MMNC structures and should be used in mechanical bacterial design in industrial applications.
Citation Count: 0
Effects of variable electric field on crack growth of aluminum nanoplate: A molecular dynamics approach
(Pergamon-elsevier Science Ltd, 2024) Salahshour, Soheıl; Hammoodi, Karrar A.; Fadhil, Dalal Abbas; Hanoon, Zahraa A.; Nayyef, Dhuha Radhi; Salahshour, Soheil; Emami, Nafiseh
Studying cracks in aluminum (Al) nanosheets is crucial because it enhances our understanding of their mechanical properties and failure mechanisms, which are vital for applications in lightweight structures, electronics, and nanotechnology. In this study, different levels of an external electric field (EF) (1, 2, 3, and 5 V/& Aring;) were used to see how they affected the growth of nanocracks in Al nanoplates. This investigation was carried out utilizing molecular dynamics simulation and LAMMPS software. Increasing EFA to 2 V/& Aring; increased to maximum (Max) stress from 230.567 to 242.032 GPa. Furthermore, increasing the voltage to 5 V/& Aring; reduced Max stress to 230.567 GPa. Max (Vel) occurred in the presence of 2 V/& Aring; which reached 14.2192 & Aring;/ps. The increase in atomic Vel in Al nanoplates can be attributed to enhanced atomic collisions and energy transfer among atoms as the EFA increases to 5 V/& Aring;, the Vel declined to 11.9908 & Aring;/ps. On the other hand, the outputs predicted the atomic evolution of designed Al nanoplates can manipulate the EF value changes. Numerically, by changing the EF parameter from 1 to 5 V/& Aring;, the nano-crack length value varied from 27.87 to 30.16 & Aring;. Physically, this structural evolution occurred through changes in interaction energy (mean attraction energy) within various regions of Al nanoplates. In industrial cases, this nano-crack length manipulation by EF amplitude parameter can be used to prepare atomic nanoplates with different resistances to the crack growth process.
Citation Count: 0
Mechanical behavior of baghdadite-polycaprolactone-graphene nanocomposite for optimization of the bone treatment process in medical applications using molecular dynamics simulation
(Elsevier, 2024) Salahshour, Soheıl; Basem, Ali; Aljaafari, Haydar A. S.; Hanoon, Zahraa A.; Jumaah, Shams Dheyaa; Salahshour, Soheil; Emamii, Nafiseh
Baghdadite is a monoclinic structure that is frequently used in biomedical applications and is a member of the calcium silicate zirconium group. In actual applications, the mechanical properties (MPs) of this atomic structure are of significant significance, among its other properties. Vacancy defects are one of the atomic phenomena that can affect the MP of Baghdadite. Molecular dynamic (MD) simulations were used to define the MP of Baghdaditepolycaprolactone-graphene nanocomposite (BN) in the presence of vacancy defects. The results of MD simulations show the excellent physical stability of BN with vacancy defects. Technically speaking, appropriate settings in the MD simulation box led to this result. Additionally, various parameters, including the stress-strain curve, Young's modulus (YM), and ultimate strength (US), were reported to explain the mechanical development of BN. In this simulation, vacancy defects to the initial compound at ratios ranging from 1 % to 10 % were introduced. Consequently, the YM of samples varied from 210.87 to 182.89 MPa, and the US decreased by 160.27 MPa. The calculated results show that the vacancy defects significantly reduced the mechanical strength of BN.