Search Results - "Celik, Fatih Ahmet"

Molecular dynamics study of crystal lattice effect on mechanical properties of SiO2: A density functional tight binding investigation by Ahmet Celik, Fatih

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Investigation of the Phase Mechanism Behaviors of Fe-Cr-Ni alloy by Molecular Dynamics Simulation by Duman, Merve, Çelik, Fatih Ahmet

“…In the presented study, Fe-Cr-Ni ternary alloy system, which is classified as medium entropy alloys, was modelled using molecular dynamics (MD) simulation…”
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Pressure and cooling rate effect on polyhedron clusters in Cu–Al alloy by using molecular dynamics simulation by Celik, Fatih Ahmet

“…In this study, the microstructural evolution of crystal-type and icosahedral (icos)-type polyhedrons in Cu–50at%Al alloy based on the embedded atom method…”
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Cooling rate dependence of the icosahedral order of amorphous CuNi alloy: A molecular dynamics simulation by Celik, Fatih Ahmet

“…In this study, a molecular dynamics (MD) simulation is carried out to obtain glass formation and icosahedral order for Cu–%50Ni model alloy system with 10,976…”
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Investigation of the Effect of Pressure and Cooling Rate on the Local Order for Cu and Ni Metallic Systems: A Molecular Dynamics Simulation by Celik, Fatih Ahmet, Yazgil, Hasan

“…In this study, the orientational order of two important transition metals, nickel and copper, are simulated by using a molecular dynamics (MD) simulation with…”
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The investigation of solid–solid phase transformation at CuAlNi alloy using molecular dynamics simulation by Kazanc, Sefa, Ahmet Celik, Fatih, Ozgen, Soner

“…In this study the thermodynamic and structural properties of a CuAlNi model alloy (3A) system were investigated using a molecular dynamics (MD) simulation…”
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The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics by Kizilagac, Servet, Celik, Fatih, Koksal, Koray

“…This work aims to investigate the effect of Pt concentration on the crystal growth mechanism of a Platinum-Palladium (Pt-Pd) binary alloy system during the…”
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Hydrogen adsorption and storage behaviors of Li-decorated PdS2 monolayer: An extended tight-binding study based on DFT by Celik, Fatih Ahmet

“…The hydrogen adsorption and storage of the lithium-decorated PdS2 monolayer at nano-size has been investigated by using extended tight-binding (GFN1-xTB) based…”
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Investigating electronic properties and electron transport in molecular junctions of new model CoNiO2 doped with Li and Na via extended tight-binding based on DFT computational method by Celik, Fatih Ahmet

“…•Heusler-type compound doped Li and Na were investigated using the extended tight-binding based on DFT method.•CoNiO2Li has a semiconductor behavior while…”
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A new design of Borax-Cannabinol nanomaterial used to strengthen concrete structures: Non-Scc-GFN1xTB model by Celik, Fatih Ahmet, Karabulut, Ezman

“…The aim of this study is to investigate the effect of cannabinol addition to borax, one of the raw materials of glass, on stress-strain behavior. For this…”
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Electronic structure of two-dimensional-layered PbTiO3 perovskite crystal: an extended tight-binding study based on DFT by Celik, Fatih Ahmet

“…The electronic structure of bulk and slab PbTiO 3 perovskite crystal for different layers are investigated using extended-tight binding calculations (GFN1-xTB)…”
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The investigation of nucleation rate and Johnson–Mehl–Avrami model of Pt–Pd alloy using molecular dynamics simulation during heat treatment processes by Celik, Fatih Ahmet

“…•The Avrami exponent increases with increasing annealing temperature.•Recrystallization occurrence is most likely at low temperatures.•Heat of fusion and…”
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Molecular dynamics simulation of polyhedron analysis of Cu–Ag alloy under rapid quenching conditions by Celik, Fatih Ahmet

“…In this study, the formation mechanism of polyhedron clusters in Cu50Ag50 binary alloy system consisting of 50 000 atoms has been investigated by using…”
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High availability and outstanding catalytic activity in sodium borohydride hydrolytic dehydrogenation of CQD/GO@Co catalyst by green synthesis: Experimental and computational perspective by Onat, Erhan, Celik, Fatih Ahmet, Karabulut, Ezman, Izgi, Mehmet Sait

“…This study is a pioneering study that experimentally and theoretically measures the effect of heterogeneous catalyst structure on hydrogen production. In this…”
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The effect of molecular decoration on formation of curved and twisted graphene by Celik, Fatih Ahmet, Koksal, Koray, Yilmaz, Engin

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Computational study on a cobalt-based complex compound with amine ligand in X-doped (X = Co, Ru, Rh) Ca12Al14O33 functional material as an innovative catalyst by NaBH4 hydrolysis for determining hydrogen generation process by Celik, Fatih Ahmet, Karabulut, Ezman, İzgi, Mehmet Sait, Yilmaz, Mücahit, Onat, Erhan

“…Sodium borohydride (NaBH4) has been generally studied as a source of hydrogen (H2) due to its important advantages with the development of support materials…”
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H2 production from ammonia borane hydrolysis with catalyst effect of Titriplex® III carbon quantum dots supported by ruthenium under different reactant Conditions: Experimental study and predictions with molecular modelling by Onat, Erhan, Ahmet Celik, Fatih, Şahin, Ömer, Karabulut, Ezman, İZGİ, Mehmet Sait

“…[Display omitted] •Ru was supported with Titriplex CQD, which has a strong electronegative density.•NH3BH3 hydrolysis of Titriplex® III (CQD) catalyst…”
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Molecular dynamics simulation study on nucleation mechanisms of $$\hbox {Cu}_{3}$$Au superalloy by Celik, Fatih Ahmet, Korkmaz, Ebru Tanboğa

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Molecular dynamics approach to efficient hydrogen generation process of Co-B catalysts decorating lanthanides (La, Ce, Pr, Nd) supported by flat-sheet and twisted ThMoB4-type graphene from NaBH4 hydrolysis: Insights from non-self-consistent GFN1-xTB method by Celik, Fatih Ahmet, Karabulut, Ezman, Onat, Erhan, Izgi, Mehmet Sait, Yilmaz, Mücahit

“…In this study, the promoter role on highly efficient hydrogen generation productivity and H2 formation mechanisms of Co-B-X catalysts modified by rare earths…”
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A study on the phase transformation behaviour of Cu-20wt.Sn alloy produced using powder metallurgy method: Experimental and molecular dynamics modelling by Özel, Serkan, Celik, Fatih Ahmet, Kaya, Mehmet

“…•The solid-solid phase conversion from α+δ to α+γ at 550°C.•The phase transformation properties of Cu-20wt.Sn alloy system are investigated by using MD and PM…”
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