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Now showing items 11-16 of 16

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Pressure-induced amorphization, mechanical and electronic properties of zeolitic imidazolate framework (ZIF-8) 

Erkartal, Mustafa; Durandurdu, Murat (ELSEVIER SCIENCE SA, PO BOX 564, 1001 LAUSANNE, SWITZERLAND, 15.01.2020)
Ab initio molecular dynamics (AIMD) simulations are carried out to probe the high-pressure behavior of ZIF-8 over wide pressure-range. Under compression, the enormous distortions in the ZnN4 tetrahedral units lead to a ...
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Amorphous boron arsenide 

Durandurdu, Murat (ELSEVIER, RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS, 15.11.2019)
The short-range order and electrical properties of amorphous boron arsenide (BAs) are evaluated by means of ab initio molecular dynamics simulations. The amorphous model is obtained from the fast solidification of the BAs ...
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Liquid and amorphous states of boron subarsenide 

Durandurdu, Murat (WILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA, 01.08.2019)
Ab initio molecular dynamics simulations are executed to probe the short-range order and the electrical features of the liquid and amorphous boron subarsenide (B12As2). A drastic volume swelling of similar to 40% is witnessed ...
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Amorphous boron suboxide 

Durandurdu, Murat (WILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA, 01.08.2019)
We study the atomic structure and the electronic and mechanical properties of amorphous boron suboxide (B6O) using an ab initio molecular dynamic technique. The amorphous network is attained from the rapid solidification ...
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Very low density amorphous phase of zircon 

Bolat, Suleyman; Durandurdu, Murat (ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS, 01.06.2019)
Using a reliable ab initio molecular dynamics method, we investigate the rapid solidification of the zircon melt. Accompanied by amorphization, a drastic volume expansion of 27% is perceived. This value is fairly larger ...
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Phase transition of ZrN under pressure 

Durandurdu, Murat (TAYLOR & FRANCIS LTD, 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND, 18.04.2019)
A first principles constant pressure approach is carried out to probe the high-pressure behaviour of the rocksalt (RS) structured zirconium nitride (ZrN). The existence of first order reconstructive phase transition from ...
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Durandurdu, Murat (16)
Erkartal, Mustafa (3)Yildiz, Tevhide Ayca (2)Bolat, Suleyman (1)Karacaoglan, Cetin (1)Ozlem, Aysegul (1)Tahaoğlu, Duygu (1)Üçhöyük, Tevhide Ayça (1)SubjectAmorphous (7)amorphous (3)Hardness (2)Mechanical properties (2)Metallic glass (2)ab initio (1)Ab-initio (1)ab-initio (1)Amorphous solids (1)Amorphous ZIFs (1)... View MoreDate Issued2018 (4)Has File(s)Yes (16)

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