Theoretical study of phase stability and elastic properties ofT0.75Y0.75B14(T  =  Sc, Ti, V, Y, Zr, Nb, Si)

2016 ◽  
Vol 28 (10) ◽  
pp. 105501 ◽  
Author(s):  
Oliver Hunold ◽  
Denis Music ◽  
Jochen M Schneider
Keyword(s):  
Elastic Properties ◽  
Phase Stability ◽  
Theoretical Study

Theoretical study of elastic properties and phase stability of M0.5Al0.5N1−xOx (M = Sc, Ti, V, Cr)

2013 ◽  
Vol 113 (8) ◽  
pp. 083512 ◽  
Author(s):  
Soo Jin Rotert ◽  
Denis Music ◽  
Moritz to Baben ◽  
Jochen M. Schneider
Keyword(s):  
Elastic Properties ◽  
Phase Stability ◽  
Theoretical Study

scholarly journals Optical and elastic properties of diamond-like carbon with metallic inclusions: A theoretical study

2012 ◽  
Vol 112 (10) ◽  
pp. 103503 ◽  
Author(s):  
Georgios A. Tritsaris ◽  
Christos Mathioudakis ◽  
Pantelis C. Kelires ◽  
Efthimios Kaxiras
Keyword(s):  
Elastic Properties ◽  
Theoretical Study ◽  
Diamond Like Carbon ◽  
Metallic Inclusions

First-principles study of phase stability and elastic properties in metastable Ti-Mo alloys with cluster structure

2018 ◽  
Vol 45 (1) ◽  
pp. 26-34 ◽  
Author(s):  
Mingjia Li ◽  
Xiaohua Min ◽  
Fei Ye ◽  
Ping Li ◽  
Congqian Cheng ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Phase Stability ◽  
First Principles ◽  
Cluster Structure ◽  
First Principles Study

The effect of the composition and pressure on the phase stability and electronic, magnetic, and elastic properties of M2AX (M=Mn, Fe; A=Al, Ga, Si, Ge; X=C, N) phases.

2021 ◽  
Author(s):  
Vyacheslav Zhandun ◽  
Natalia Zamkova ◽  
Oksana N. Draganyuk ◽  
Aleksey S. Shinkorenko ◽  
Ulf Wiedwald ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Elastic Properties ◽  
Phase Stability ◽  
Ground State ◽  
Electronic Ground State ◽  
Effect Of The Composition ◽  
Electronic Ground

The magnetic properties of M2AX (M=Mn, Fe; A=Al, Ga, Si, Ge; X=C, N) phases were studied within DFT-GGA. The magnetic electronic ground state is determined. The investigation of phase stability...

Theoretical study of gas and solvent phase stability and molecular adsorption of noncanonical guanine bases on graphene

2017 ◽  
Vol 19 (25) ◽  
pp. 16819-16830 ◽  
Author(s):  
Nabanita Saikia ◽  
Shashi P. Karna ◽  
Ravindra Pandey
Keyword(s):  
Density Functional Theory ◽  
Phase Stability ◽  
Density Functional ◽  
Theoretical Study ◽  
Molecular Adsorption ◽  
Functional Theory ◽  
Solvent Phase

The gas and solvent phase stability of noncanonical (Gua)n nucleobases is investigated in the framework of dispersion-corrected density functional theory (DFT).

scholarly journals Experimental and theoretical study on elastic properties of crystalline alkali silicate hydrate

2020 ◽  
Vol 185 ◽  
pp. 108240
Author(s):  
Juhyuk Moon ◽  
Seungchan Kim ◽  
Cagla Meral Akgul ◽  
Sung-Chul Bae ◽  
Simon Martin Clark
Keyword(s):  
Elastic Properties ◽  
Theoretical Study ◽  
Alkali Silicate
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