Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Book Part Numerical Modeling of Transport Processes at Hillslope Scale Accounting for Local Physical Features(Nova Science Publishers, Inc., 2011) Tayfur, GökmenHillslope is the basic unit of a watershed. Typical hillslopes may have a size of 1000 m long and 500 m wide. For watershed modeling, it is essential to accurately describe the illslope-scale processes of flow, erosion and sediment transport, and solute transport. Although these processes are usually considered in experimental studies and theoretical subjects, the existing numerical models that are designed to simulate transport processes at hillslope scale rarely take microtopographic variations into account. Instead, those models assume constant slope, roughness, and infiltration rate for a given basic computational unit (i.e., hillslope). As a result, effects of microtopographic features (e.g., rills) on the aforementioned processes cannot be reflected in modeling results. However, the effects could be important because rill and sheet flows exhibit distinctly different dynamics that influence the transport processes. The objective of this chapter is to review the numerical studies for investigating the transport processes at hillslope scale. The chapter focuses particularly on the modeling efforts with the effects of microtopographic features on the dynamics of the transport processes incorporated.Article Citation - WoS: 50Citation - Scopus: 53Nanoscale Oxide Growth on Al Single Crystals at Low Temperatures: Variable Charge Molecular Dynamics Simulations(American Physical Society, 2006) Hasnaoui, A.; Politano, O.; Salazar, J. M.; Aral, GürcanWe investigate the oxidation of aluminum low-index surfaces [(100), (110), and (111)] at low temperatures (300-600 K) and three different gas pressure values. We use molecular dynamics (MD) simulations with dynamic charge transfer between atoms where the interaction between atoms is described by the Es+ potential composed of the embedded atom method (EAM) potential and an electrostatic contribution. In the considered temperature range and under different gas pressure conditions, the growth kinetics follow a direct logarithmic law where the oxide thickness is limited to a value of ∼3 nm. The fitted curves allow us to determine the temperature and the pressure dependencies of the parameters involved in the growth law. During the adsorption stage, we observe a rotation of the oxygen pair as a precursor process to its dissociation. In most cases, the rotation aligns the molecule vertically to the Al surface. The separation distance after dissociation ranges from 3 to 9. Atomistic observations revealed that the oxide presents a dominant tetrahedral (Al O4) environment in the inner layer and mixed tetrahedral and octahedral (Al O6) environments in the outer oxide region when the oxide thickness reaches values beyond ∼2 nm.