Computational modeling of isothermal decay curves of trapping centers in TlGaSeS layered single crystals

Kucuk, Ilker
Yildirim, Tacettin
Hasanlı, Nızamı
Ozkan, Husnu
This paper presents a new approach based on multilayered perceptrons (MLPs) to compute the isothermal decay curves of trapping centers in undoped TlGaSeS layered crystals. The MLP has been trained by a Genetic Algorithm (GA). The results obtained using the MLP model were tested with an untrained experimental data. The comparison has shown that the proposed model can predict more accurately and easily the isothermal decay curves.


Size dependent stability and surface energy of amorphous FePt nanoalloy
Akdeniz, Mahmut Vedat; Mehrabov, Amdulla (Elsevier BV, 2019-06-05)
The effects of particle size (2-6 nm) and temperature (300-2700 K) on the stability and local structural evolutions of amorphous equiatomic FePt bulk/nanoalloys have been investigated by combining Embedded Atom Model (EAM) with classical molecular dynamics (MD) simulation method. The three dimensional (3D) atomic configuration of amorphous FePt NPs by means of Voronoi analysis reveals that, deformed bcc (d-bcc) and icosahedron (d-ico) type structures are most probable local atomic configurations for 2-6 nm ...
Lattice dynamical and thermo-elastic properties of M2AlB (M = V, Nb, Ta) MAX phase borides
Surucu, Gokhan; Gencer, Ayşenur; Wang, Xiaotian; Surucu, Ozge (Elsevier BV, 2020-04-05)
The structural, electronic, dynamic, and thermo-elastic properties of M2AlB (X = V, Nb, Ta) MAX phase borides were investigated using first principle calculations as implemented in the Vienna Ab-initio Simulation Package (VASP) with the generalized gradient approximation (GGA). The obtained structural properties and formation energies showed the thermodynamic stability and synthesizability of M2AlB. The electronic band structures were determined and they revealed that these compounds had a metallic characte...
The electronic band structures of InNxAs1-x, InNxSb1-x and InAsxSb1-x, alloys
Mohammad, Rezek; Katırcıoğlu, Şenay (Elsevier BV, 2009-02-05)
The band cap bowings of InNxAs1-x, InNxSb1-x, and InAsxSb1-x alloys defined by the optimized lattice constants are investigated using empirical tight binding (ETB) method. The present ETB energy parameters which take the nearest neighbor interactions into account with sp(3)d(2) basis are determined to be sufficient to provide a typical feature for the band gap bowings of the alloys. The band gap bowing parameter is found to be relatively large in both InNxAs1-x and InNxSb1-x compared to InAsxSb1-x alloys. M...
Modeling of the atomic ordering processes in Fe3Al intermetallics by the Monte Carlo simulation method combined with electronic theory of alloys
Mehrabov, Amdulla; Akdeniz, Mahmut Vedat (Springer Science and Business Media LLC, 2003-12-01)
The evolution of atomic ordering processes in Fe3Al has been modeled by the Monte Carlo (MC) simulation method combined with the electronic theory of alloys in pseudopotential approximation. The magnitude of atomic ordering energies of atomic pairs in the Fe3Al system has been calculated by means of electronic theory in pseudopotential approximation up to sixth coordination spheres and subsequently used as input data for MC simulation for more detailed analysis for the first time. The Bragg–Williams long-ra...
Numerical and experimental determination of the residual stress state in multipass welded API 5LX70 plates
Garipova, Nuriya; Batıgün, Caner; Gür, Cemil Hakan (2014-01-01)
Residual stres s distributions in multipass welded API SL X70 steel plates were determined by numerical and experimental methods. SYSWELD finite element software was used for numerical simulations. Microstructure variations were also considered for calculation of residual stresses. The continuous cooling transformation diagram was obtained via JMatPro software. The results showed that residual stress distribution is sensitive to number of weld passes, and microstructure changes. The simulation results were ...
Citation Formats
I. Kucuk, T. Yildirim, N. Hasanlı, and H. Ozkan, “Computational modeling of isothermal decay curves of trapping centers in TlGaSeS layered single crystals,” JOURNAL OF ALLOYS AND COMPOUNDS, pp. 517–520, 2010, Accessed: 00, 2020. [Online]. Available: